smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071746194 203104876 /nfs/dbraw/zinc/10/48/76/203104876.db2.gz GMNGJWUSKFWADU-QGZVFWFLSA-N 2 0 345.491 0.833 10 0 ECAERP CCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000236913337 204105201 /nfs/dbraw/zinc/10/52/01/204105201.db2.gz YKSJRIJULFYFLF-MRXNPFEDSA-N 2 0 338.496 0.955 10 0 ECAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117048592 221027908 /nfs/dbraw/zinc/02/79/08/221027908.db2.gz ZGGSCPRPHOMMES-CABCVRRESA-N 2 0 328.457 0.069 10 0 ECAERP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000247646629 165166198 /nfs/dbraw/zinc/16/61/98/165166198.db2.gz VIMWDINLELVVRF-DLBZAZTESA-N 2 0 337.512 0.748 10 0 ECAERP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]([NH3+])C3CCOCC3)ccn2)CC1 ZINC000261724855 165233092 /nfs/dbraw/zinc/23/30/92/165233092.db2.gz JOIFORBBDBJRQM-KRWDZBQOSA-N 2 0 347.463 0.204 10 0 ECAERP C[NH+](C)C[C@@H]1CN(C/C=C/CN2CCO[C@H](C[NH+](C)C)C2)CCO1 ZINC000135451431 436916408 /nfs/dbraw/zinc/91/64/08/436916408.db2.gz KDXWQXPOXBFZAG-PJHKVULZSA-N 2 0 340.512 0.067 10 0 ECAERP O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(Cc2ccco2)CC1 ZINC000170958631 436961914 /nfs/dbraw/zinc/96/19/14/436961914.db2.gz XKDPNGMVZGUHRL-MRXNPFEDSA-N 2 0 332.448 0.704 10 0 ECAERP CC[C@H](C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC000164200842 436931845 /nfs/dbraw/zinc/93/18/45/436931845.db2.gz HXQYOBQNDOXDLZ-DLBZAZTESA-N 2 0 340.512 0.580 10 0 ECAERP O=C1CCCN1C[C@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173947065 437072008 /nfs/dbraw/zinc/07/20/08/437072008.db2.gz CGXBYJNULNZKDK-MRXNPFEDSA-N 2 0 339.480 0.547 10 0 ECAERP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000341629840 437876409 /nfs/dbraw/zinc/87/64/09/437876409.db2.gz GDBXVCIEBSLJJU-RBSFLKMASA-N 2 0 326.485 0.956 10 0 ECAERP C[NH+](C)C[C@H](O)c1cc2n(n1)CCN(c1nc(N)[nH+]c3c1CCC3)C2 ZINC000219480215 535956099 /nfs/dbraw/zinc/95/60/99/535956099.db2.gz PUYOKHSHEREANB-HNNXBMFYSA-N 2 0 343.435 0.359 10 0 ECAERP C[NH+](C)C[C@@H]1CN(C/C=C\CN2CCO[C@H](C[NH+](C)C)C2)CCO1 ZINC000255335279 545946369 /nfs/dbraw/zinc/94/63/69/545946369.db2.gz KDXWQXPOXBFZAG-OSFIAYCASA-N 2 0 340.512 0.067 10 0 ECAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261855479 165253164 /nfs/dbraw/zinc/25/31/64/165253164.db2.gz MSRQYKDSMLAMOM-HZPDHXFCSA-N 2 0 338.496 0.511 10 0 ECAERP C[C@@H]1CN(Cc2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cc2)C[C@H](C)O1 ZINC000262368209 165338609 /nfs/dbraw/zinc/33/86/09/165338609.db2.gz VVOBQIFJCYCMGJ-IHETXDGRSA-N 2 0 347.459 0.606 10 0 ECAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000247527629 288308359 /nfs/dbraw/zinc/30/83/59/288308359.db2.gz XFTKFVVKPDYMHY-WBVHZDCISA-N 2 0 337.512 0.891 10 0 ECAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000247527622 300318459 /nfs/dbraw/zinc/31/84/59/300318459.db2.gz XFTKFVVKPDYMHY-RDJZCZTQSA-N 2 0 337.512 0.891 10 0 ECAERP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000246691748 436784690 /nfs/dbraw/zinc/78/46/90/436784690.db2.gz FDXLUTZVJFQMDO-NVXWUHKLSA-N 2 0 336.480 0.977 10 0 ECAERP Cn1ccnc1CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262001131 302987254 /nfs/dbraw/zinc/98/72/54/302987254.db2.gz PUVHHFPXUAQGAY-LSDHHAIUSA-N 2 0 331.464 0.890 10 0 ECAERP Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000178336202 437211807 /nfs/dbraw/zinc/21/18/07/437211807.db2.gz AAZMGDRKBNUPAE-XJKSGUPXSA-N 2 0 347.463 0.781 10 0 ECAERP O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000168099123 609735840 /nfs/dbraw/zinc/73/58/40/609735840.db2.gz RVHMXQJNOYRDCV-ROUUACIJSA-N 2 0 347.459 0.537 10 0 ECAERP COCC[NH+]1CCN(CCN2CC[N@@H+](CCOC)[C@@H](C)C2)C[C@@H]1C ZINC000246840919 285049338 /nfs/dbraw/zinc/04/93/38/285049338.db2.gz YRYIPTXGXCWWAT-ROUUACIJSA-N 2 0 342.528 0.291 10 0 ECAERP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000262287760 165323844 /nfs/dbraw/zinc/32/38/44/165323844.db2.gz OLOCAYDAKSFPIZ-CVEARBPZSA-N 2 0 335.473 0.546 10 0 ECAERP COC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000262346034 165334867 /nfs/dbraw/zinc/33/48/67/165334867.db2.gz TYAIWBVEBZGXFM-MRXNPFEDSA-N 2 0 339.411 0.759 10 0 ECAERP C[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C[NH+]1CCCC1 ZINC000194452312 436666204 /nfs/dbraw/zinc/66/62/04/436666204.db2.gz NAYHXBAXVVFVPY-CVEARBPZSA-N 2 0 326.485 0.864 10 0 ECAERP CC[NH+](CC)CC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105818511 201060092 /nfs/dbraw/zinc/06/00/92/201060092.db2.gz UIGIOFZXDTWHAS-KRWDZBQOSA-N 2 0 340.512 0.582 10 0 ECAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106921923 204220815 /nfs/dbraw/zinc/22/08/15/204220815.db2.gz ZFMSXIDRYDYVAA-SJLPKXTDSA-N 2 0 332.492 0.911 10 0 ECAERP COC1(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)CC[NH2+]CC1 ZINC000262010309 284662065 /nfs/dbraw/zinc/66/20/65/284662065.db2.gz SYUXKNVWYOTMQK-CQSZACIVSA-N 2 0 327.469 0.306 10 0 ECAERP COCC[NH+]1CCN(CCN2CC[N@@H+](CCOC)[C@H](C)C2)C[C@H]1C ZINC000114719656 285049149 /nfs/dbraw/zinc/04/91/49/285049149.db2.gz YRYIPTXGXCWWAT-QZTJIDSGSA-N 2 0 342.528 0.291 10 0 ECAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+]3CCC[C@H]3C2)CC1=O ZINC000247468976 165164324 /nfs/dbraw/zinc/16/43/24/165164324.db2.gz GNSCVWFGPDHEFL-ZACQAIPSSA-N 2 0 348.491 0.626 10 0 ECAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261855482 165253144 /nfs/dbraw/zinc/25/31/44/165253144.db2.gz MSRQYKDSMLAMOM-IYBDPMFKSA-N 2 0 338.496 0.511 10 0 ECAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000262207561 165309016 /nfs/dbraw/zinc/30/90/16/165309016.db2.gz IQHDMJSHHNWQDB-NXHRZFHOSA-N 2 0 345.491 0.913 10 0 ECAERP [NH3+][C@H]1CN[C@H](C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)C1 ZINC000067820374 295342534 /nfs/dbraw/zinc/34/25/34/295342534.db2.gz HWTYKCTYOKCQCS-AEFFLSMTSA-N 2 0 328.460 0.377 10 0 ECAERP C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000249526666 436822518 /nfs/dbraw/zinc/82/25/18/436822518.db2.gz UOHYONYLJYJXSE-JKSUJKDBSA-N 2 0 326.485 0.864 10 0 ECAERP CC(=O)N1CCN(C(=O)CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261876070 436893051 /nfs/dbraw/zinc/89/30/51/436893051.db2.gz XYDKJRUEFMMWKH-MSOLQXFVSA-N 2 0 344.459 0.351 10 0 ECAERP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263251856 436959540 /nfs/dbraw/zinc/95/95/40/436959540.db2.gz QARZHCFFMBZYRV-YPMHNXCESA-N 2 0 334.372 0.898 10 0 ECAERP [NH3+]C1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCOCC1 ZINC000261809722 303355281 /nfs/dbraw/zinc/35/52/81/303355281.db2.gz JMAKLXBQJKPECH-UHFFFAOYSA-N 2 0 327.494 0.972 10 0 ECAERP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000184859606 437415838 /nfs/dbraw/zinc/41/58/38/437415838.db2.gz LOBVXRNAECEHEP-OWCLPIDISA-N 2 0 338.496 0.957 10 0 ECAERP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185475579 437440625 /nfs/dbraw/zinc/44/06/25/437440625.db2.gz AXVXHGVGEUZJOM-LSDHHAIUSA-N 2 0 330.473 0.051 10 0 ECAERP CC(C)[NH+]1CCC(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000114456725 201070995 /nfs/dbraw/zinc/07/09/95/201070995.db2.gz JUDWYCIRHJJZSI-MRXNPFEDSA-N 2 0 326.485 0.238 10 0 ECAERP COCCCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000247436958 165163016 /nfs/dbraw/zinc/16/30/16/165163016.db2.gz ZHNXVJOGBFQHBV-HUUCEWRRSA-N 2 0 329.485 0.552 10 0 ECAERP [NH3+][C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000261606604 165213886 /nfs/dbraw/zinc/21/38/86/165213886.db2.gz ATQAVHQNQRAQPG-QGZVFWFLSA-N 2 0 339.480 0.844 10 0 ECAERP [NH3+]C1(C(=O)NCc2ccc(CN3CCOCC3)cc2)CCOCC1 ZINC000261632835 165218951 /nfs/dbraw/zinc/21/89/51/165218951.db2.gz HMZMERUJAJAAFO-UHFFFAOYSA-N 2 0 333.432 0.643 10 0 ECAERP CC(C)S(=O)(=O)CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261872439 165255402 /nfs/dbraw/zinc/25/54/02/165255402.db2.gz LNCSCPXLOIPTDS-CABCVRRESA-N 2 0 345.509 0.390 10 0 ECAERP CC[C@@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000262387970 165342470 /nfs/dbraw/zinc/34/24/70/165342470.db2.gz XOSVFSIULIBJPN-HZPDHXFCSA-N 2 0 349.479 0.265 10 0 ECAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC([NH+]3CCCC3)CC2)cn1 ZINC000262362053 294300731 /nfs/dbraw/zinc/30/07/31/294300731.db2.gz VGKOREOICYZTQQ-SJORKVTESA-N 2 0 331.464 0.810 10 0 ECAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000333681322 297147073 /nfs/dbraw/zinc/14/70/73/297147073.db2.gz ZSCHKXPBBNVOEG-VNQPRFMTSA-N 2 0 349.483 0.812 10 0 ECAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000247969466 300319174 /nfs/dbraw/zinc/31/91/74/300319174.db2.gz FIRVDFJDXQZGIQ-RDJZCZTQSA-N 2 0 337.512 0.891 10 0 ECAERP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862020 436581956 /nfs/dbraw/zinc/58/19/56/436581956.db2.gz MSXUGQVMVWGZPI-CHWSQXEVSA-N 2 0 328.457 0.245 10 0 ECAERP C[NH+]1CCC[C@H]1CNC(=O)CSCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000112924196 436634995 /nfs/dbraw/zinc/63/49/95/436634995.db2.gz YODXXQORZBCQAN-OKILXGFUSA-N 2 0 342.509 0.140 10 0 ECAERP CC[C@@H]1CN(C(=O)NCC[NH+](CC)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000248448240 436804329 /nfs/dbraw/zinc/80/43/29/436804329.db2.gz HKIXSBDPRGZTQU-LSDHHAIUSA-N 2 0 326.485 0.957 10 0 ECAERP [NH3+]CCCCCCCCCCCC[N@@H+]1C[C@H](O)[C@H](O)[C@H](O)[C@H]1CO ZINC000256075198 436855716 /nfs/dbraw/zinc/85/57/16/436855716.db2.gz XUKDCKJRAWVROB-XDNAFOTISA-N 2 0 346.512 0.605 10 0 ECAERP CC(=O)N[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000299737900 437107600 /nfs/dbraw/zinc/10/76/00/437107600.db2.gz SIYMXKKEIADWCY-FEFURNDJSA-N 2 0 336.480 0.744 10 0 ECAERP C[N@H+](CCO)C1CCN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CC1 ZINC000302053917 437138974 /nfs/dbraw/zinc/13/89/74/437138974.db2.gz PVVNCODFDODVPV-OAHLLOKOSA-N 2 0 349.479 0.578 10 0 ECAERP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1=O ZINC000173722240 231014711 /nfs/dbraw/zinc/01/47/11/231014711.db2.gz WRISBQLFTUWIJG-SJORKVTESA-N 2 0 346.475 0.816 10 0 ECAERP COC[C@H](C)NC(=O)NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262247542 165316567 /nfs/dbraw/zinc/31/65/67/165316567.db2.gz PTGVKPUOIDDZFT-IMJJTQAJSA-N 2 0 348.447 0.521 10 0 ECAERP COC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262285899 165322213 /nfs/dbraw/zinc/32/22/13/165322213.db2.gz MHMLKSDLPACOPH-UKRRQHHQSA-N 2 0 334.420 0.296 10 0 ECAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NC[C@@H]2CCCO2)CC1 ZINC000105915487 436587125 /nfs/dbraw/zinc/58/71/25/436587125.db2.gz RIVJGWVGCBVAIG-ZOBUZTSGSA-N 2 0 341.496 0.695 10 0 ECAERP O=C(CCCC(=O)N1CC[NH+]2CCC[C@H]2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195333779 436688173 /nfs/dbraw/zinc/68/81/73/436688173.db2.gz ZVNUAVORGTYBJN-CALCHBBNSA-N 2 0 348.491 0.770 10 0 ECAERP COCCCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588769 436981098 /nfs/dbraw/zinc/98/10/98/436981098.db2.gz ZHNXVJOGBFQHBV-CABCVRRESA-N 2 0 329.485 0.552 10 0 ECAERP CC(C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000171900000 436992412 /nfs/dbraw/zinc/99/24/12/436992412.db2.gz VIMWDINLELVVRF-SJORKVTESA-N 2 0 337.512 0.748 10 0 ECAERP C[N@H+](CCO)C1CCN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC1 ZINC000302053916 437138746 /nfs/dbraw/zinc/13/87/46/437138746.db2.gz PVVNCODFDODVPV-HNNXBMFYSA-N 2 0 349.479 0.578 10 0 ECAERP CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000184836467 437412678 /nfs/dbraw/zinc/41/26/78/437412678.db2.gz WGHJTSUARCBEDY-HOTGVXAUSA-N 2 0 326.485 0.959 10 0 ECAERP CC[C@@H]1CN(C(=O)NCC[NH+](CC)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000185035906 437423192 /nfs/dbraw/zinc/42/31/92/437423192.db2.gz HKIXSBDPRGZTQU-HUUCEWRRSA-N 2 0 326.485 0.957 10 0 ECAERP O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)C1C[NH+](C2CCOCC2)C1 ZINC000911418349 609865622 /nfs/dbraw/zinc/86/56/22/609865622.db2.gz LAYKUEIEEPZWOD-BBWFWOEESA-N 2 0 337.464 0.201 10 0 ECAERP O=C(NCCN1CCc2ccccc21)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072152314 203172900 /nfs/dbraw/zinc/17/29/00/203172900.db2.gz HTWMUNDJXURFAV-INIZCTEOSA-N 2 0 328.460 0.897 10 0 ECAERP [NH3+][C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CCOCC1 ZINC000262098703 165290901 /nfs/dbraw/zinc/29/09/01/165290901.db2.gz UXRXZJFCMLLBIS-MRXNPFEDSA-N 2 0 325.453 0.311 10 0 ECAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000262339076 165333389 /nfs/dbraw/zinc/33/33/89/165333389.db2.gz ZZWHDPPJMNGOFR-OLZOCXBDSA-N 2 0 336.440 0.017 10 0 ECAERP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])COC)CC1 ZINC000262378998 165340597 /nfs/dbraw/zinc/34/05/97/165340597.db2.gz XOEFCPSGYVQYOM-KRWDZBQOSA-N 2 0 334.464 0.414 10 0 ECAERP C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C[NH+]1CCCC1 ZINC000194452301 436665595 /nfs/dbraw/zinc/66/55/95/436665595.db2.gz NAYHXBAXVVFVPY-HOTGVXAUSA-N 2 0 326.485 0.864 10 0 ECAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H](N)CCS(C)(=O)=O)C1 ZINC000164359363 436930117 /nfs/dbraw/zinc/93/01/17/436930117.db2.gz MTMYELZWDQNYEP-HZSPNIEDSA-N 2 0 347.525 0.621 10 0 ECAERP CN(c1ccccc1CNC[C@@H]1C[NH2+]C[C@@H]1O)C1CC[NH+](C)CC1 ZINC000263146598 436951550 /nfs/dbraw/zinc/95/15/50/436951550.db2.gz CSRZUXPFYIRUAW-APWZRJJASA-N 2 0 332.492 0.887 10 0 ECAERP C[NH+]1CCC(N(Cc2ccncc2)C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC000072428605 610950170 /nfs/dbraw/zinc/95/01/70/610950170.db2.gz FLJCPVFPYWTFAR-KRWDZBQOSA-N 2 0 342.447 0.798 10 0 ECAERP O=C1CCCN1C[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000111684013 220178337 /nfs/dbraw/zinc/17/83/37/220178337.db2.gz ONLPDUJKUBNQTI-MRXNPFEDSA-N 2 0 325.453 0.014 10 0 ECAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000261560219 165213701 /nfs/dbraw/zinc/21/37/01/165213701.db2.gz UNRSYKHZADIIDA-YOEHRIQHSA-N 2 0 334.464 0.723 10 0 ECAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000261995698 165274116 /nfs/dbraw/zinc/27/41/16/165274116.db2.gz NRJIVMNOZPAVDA-HOCLYGCPSA-N 2 0 327.469 0.306 10 0 ECAERP Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)n1 ZINC000262026623 165278744 /nfs/dbraw/zinc/27/87/44/165278744.db2.gz GOCZVNYGWMTSAR-MRXNPFEDSA-N 2 0 334.468 0.429 10 0 ECAERP CC[C@@H](C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC000164200472 436931170 /nfs/dbraw/zinc/93/11/70/436931170.db2.gz HXQYOBQNDOXDLZ-SJORKVTESA-N 2 0 340.512 0.580 10 0 ECAERP CC(C)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000170828176 436954343 /nfs/dbraw/zinc/95/43/43/436954343.db2.gz MCBLDLKWNYAYDN-HOTGVXAUSA-N 2 0 325.501 0.604 10 0 ECAERP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263224118 436955876 /nfs/dbraw/zinc/95/58/76/436955876.db2.gz MNDCURCSJOYERP-WHOFXGATSA-N 2 0 335.404 0.360 10 0 ECAERP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178336885 437212712 /nfs/dbraw/zinc/21/27/12/437212712.db2.gz SOXLSHPCFACYOM-HNNXBMFYSA-N 2 0 344.481 0.612 10 0 ECAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000662741460 439867183 /nfs/dbraw/zinc/86/71/83/439867183.db2.gz FTMFBENGOXYJRQ-BPQIPLTHSA-N 2 0 330.476 0.774 10 0 ECAERP CC(C)CC[N@@H+]1CCc2nc(N3CC[NH+](C)CC3)[nH]c(=O)c2CC1 ZINC000169752199 609745057 /nfs/dbraw/zinc/74/50/57/609745057.db2.gz CINYVDCCKQGUFY-UHFFFAOYSA-N 2 0 333.480 0.968 10 0 ECAERP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000236851307 242382096 /nfs/dbraw/zinc/38/20/96/242382096.db2.gz TWTXLMZHQVMHLG-MRXNPFEDSA-N 2 0 338.496 0.825 10 0 ECAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000247502520 165162158 /nfs/dbraw/zinc/16/21/58/165162158.db2.gz NVCIGXYFYROQAO-HZPDHXFCSA-N 2 0 342.484 0.243 10 0 ECAERP COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261752989 165238026 /nfs/dbraw/zinc/23/80/26/165238026.db2.gz LXFNIAAWHJHIIL-HNNXBMFYSA-N 2 0 349.479 0.965 10 0 ECAERP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261855474 165253600 /nfs/dbraw/zinc/25/36/00/165253600.db2.gz MSRQYKDSMLAMOM-HOTGVXAUSA-N 2 0 338.496 0.511 10 0 ECAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H](C)C3C[NH2+]C3)CC2)C1 ZINC000262027331 165278241 /nfs/dbraw/zinc/27/82/41/165278241.db2.gz BBXFDXIFTCKXKT-RDJZCZTQSA-N 2 0 338.496 0.095 10 0 ECAERP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)CC2)c1 ZINC000262082346 165288093 /nfs/dbraw/zinc/28/80/93/165288093.db2.gz CMTALYGEDJPWAU-WMZOPIPTSA-N 2 0 346.475 0.204 10 0 ECAERP CC[C@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CCN1CCOC ZINC000262335951 165331479 /nfs/dbraw/zinc/33/14/79/165331479.db2.gz SRSLPVZXWBBOBM-INIZCTEOSA-N 2 0 349.479 0.531 10 0 ECAERP CC[C@@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000262387971 165341760 /nfs/dbraw/zinc/34/17/60/165341760.db2.gz XOSVFSIULIBJPN-JKSUJKDBSA-N 2 0 349.479 0.265 10 0 ECAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCC3OCCO3)CC2)C1 ZINC000124179008 222386885 /nfs/dbraw/zinc/38/68/85/222386885.db2.gz SLTPNHBEGZZXJF-INIZCTEOSA-N 2 0 327.469 0.476 10 0 ECAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179285668 297093276 /nfs/dbraw/zinc/09/32/76/297093276.db2.gz FIRVDFJDXQZGIQ-NVXWUHKLSA-N 2 0 337.512 0.891 10 0 ECAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117048584 436655063 /nfs/dbraw/zinc/65/50/63/436655063.db2.gz ZGGSCPRPHOMMES-GJZGRUSLSA-N 2 0 328.457 0.069 10 0 ECAERP Cc1ccccc1-n1cc(CNC(=O)C23C[NH2+]CC2C[NH2+]C3)cn1 ZINC000065372915 436656535 /nfs/dbraw/zinc/65/65/35/436656535.db2.gz AWLPXVQYXOYZOK-UHFFFAOYSA-N 2 0 325.416 0.606 10 0 ECAERP O=C(CCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000195333771 436688271 /nfs/dbraw/zinc/68/82/71/436688271.db2.gz ZVNUAVORGTYBJN-IAGOWNOFSA-N 2 0 348.491 0.770 10 0 ECAERP CC[C@@H]1CN(C(=O)NCC[NH+](C)CCOC)CC[N@@H+]1C[C@H](C)O ZINC000248431576 436801983 /nfs/dbraw/zinc/80/19/83/436801983.db2.gz BOVBDDBFWPGHIV-LSDHHAIUSA-N 2 0 330.473 0.051 10 0 ECAERP CC(C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000170828181 436955089 /nfs/dbraw/zinc/95/50/89/436955089.db2.gz MCBLDLKWNYAYDN-CVEARBPZSA-N 2 0 325.501 0.604 10 0 ECAERP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263251853 436957311 /nfs/dbraw/zinc/95/73/11/436957311.db2.gz QARZHCFFMBZYRV-DGCLKSJQSA-N 2 0 334.372 0.898 10 0 ECAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000173643673 437059926 /nfs/dbraw/zinc/05/99/26/437059926.db2.gz IESSORSEAGMFIQ-HZPDHXFCSA-N 2 0 327.469 0.569 10 0 ECAERP C[NH+](C)C1CCN(CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000179295021 437257031 /nfs/dbraw/zinc/25/70/31/437257031.db2.gz XIKQDPYNVPENDL-QGZVFWFLSA-N 2 0 337.512 0.892 10 0 ECAERP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000178648888 320521639 /nfs/dbraw/zinc/52/16/39/320521639.db2.gz DGOUGKGUWKXLOS-OAHLLOKOSA-N 2 0 329.485 0.552 10 0 ECAERP C[NH+](C)C[C@H]1CN(CCCCN2CCO[C@@H](C[NH+](C)C)C2)CCO1 ZINC000247113487 165153286 /nfs/dbraw/zinc/15/32/86/165153286.db2.gz VZEAQQKBXBRQCI-ROUUACIJSA-N 2 0 342.528 0.291 10 0 ECAERP CC1(C)C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CC[C@H]1[NH3+] ZINC000261789505 165244046 /nfs/dbraw/zinc/24/40/46/165244046.db2.gz UTXUWKFDOIJOGT-OAHLLOKOSA-N 2 0 346.479 0.575 10 0 ECAERP Cc1csc(NC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000261937516 165266237 /nfs/dbraw/zinc/26/62/37/165266237.db2.gz KQNZHRAMSZYMNA-LLVKDONJSA-N 2 0 325.438 0.177 10 0 ECAERP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3C[NH2+]C[C@H]3O)CC2)c1 ZINC000262082338 165287226 /nfs/dbraw/zinc/28/72/26/165287226.db2.gz CMTALYGEDJPWAU-FUHWJXTLSA-N 2 0 346.475 0.204 10 0 ECAERP O=C(CC[NH+]1CCN(c2nc3ccccc3o2)CC1)N1CC[NH2+]CC1 ZINC000262228203 165311878 /nfs/dbraw/zinc/31/18/78/165311878.db2.gz VDEFSBKHLFXUFB-UHFFFAOYSA-N 2 0 343.431 0.772 10 0 ECAERP COC[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000262431882 165348455 /nfs/dbraw/zinc/34/84/55/165348455.db2.gz TVUNPBJMPQQQOO-UONOGXRCSA-N 2 0 334.420 0.296 10 0 ECAERP C[NH+](C)[C@H]1CN(c2nc(-c3ccco3)nc3c2CC[NH2+]CC3)C[C@@H]1O ZINC000072478187 436045003 /nfs/dbraw/zinc/04/50/03/436045003.db2.gz WJQDXDLSUPWXQV-GJZGRUSLSA-N 2 0 343.431 0.536 10 0 ECAERP C[NH+]1CCC[C@H]1CNC(=O)CCCCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000105648151 436576469 /nfs/dbraw/zinc/57/64/69/436576469.db2.gz XABVDIHGOKIJNN-IYBDPMFKSA-N 2 0 338.496 0.968 10 0 ECAERP CN(CCC[NH+]1CCCC1)C(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065407960 436660323 /nfs/dbraw/zinc/66/03/23/436660323.db2.gz RVUVDLVEZIVPQP-OAHLLOKOSA-N 2 0 334.468 0.836 10 0 ECAERP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000900842818 586669329 /nfs/dbraw/zinc/66/93/29/586669329.db2.gz AKRVLCYGHKWIKE-DLBZAZTESA-N 2 0 340.512 0.316 10 0 ECAERP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261872824 165256203 /nfs/dbraw/zinc/25/62/03/165256203.db2.gz TWZBTZAEMRWSRT-HNNXBMFYSA-N 2 0 327.469 0.746 10 0 ECAERP C[NH+]1CCN(Cc2ccc(CNC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000261876555 165256261 /nfs/dbraw/zinc/25/62/61/165256261.db2.gz OQPZXQCAJGTDBE-UHFFFAOYSA-N 2 0 346.475 0.558 10 0 ECAERP Cc1ccn2cc(CNC(=O)[C@H]3C[NH2+]C[C@@H]3c3cnn(C)c3)nc2c1 ZINC000262407510 165346183 /nfs/dbraw/zinc/34/61/83/165346183.db2.gz YZCBTOMLVJHISU-CVEARBPZSA-N 2 0 338.415 0.996 10 0 ECAERP C[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000113447824 279342755 /nfs/dbraw/zinc/34/27/55/279342755.db2.gz CXAQIRAXIWEQOO-AEFFLSMTSA-N 2 0 332.492 0.911 10 0 ECAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262310268 288292721 /nfs/dbraw/zinc/29/27/21/288292721.db2.gz QIPPAWCCMVIGTD-DZUCGIPZSA-N 2 0 331.464 0.808 10 0 ECAERP O=C(CN1CCC[C@@H](c2nnc[nH]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000333332935 297125736 /nfs/dbraw/zinc/12/57/36/297125736.db2.gz RNPUXRSRKCTLDV-CYBMUJFWSA-N 2 0 332.452 0.727 10 0 ECAERP C[C@@H]1C[C@@H](C(=O)N2CC[NH2+][C@H](C)C2)[C@@H](C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000262785403 297202371 /nfs/dbraw/zinc/20/23/71/297202371.db2.gz MKDVZGZSWJLLJP-QCODTGAPSA-N 2 0 336.480 0.289 10 0 ECAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000114176062 436640114 /nfs/dbraw/zinc/64/01/14/436640114.db2.gz ZQHVBOSZKZTKEH-LSDHHAIUSA-N 2 0 326.485 0.489 10 0 ECAERP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000247074235 436788431 /nfs/dbraw/zinc/78/84/31/436788431.db2.gz IYZYGAGGTZEMRH-IXDOHACOSA-N 2 0 339.528 0.898 10 0 ECAERP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247168911 436789924 /nfs/dbraw/zinc/78/99/24/436789924.db2.gz MSXUGQVMVWGZPI-QWHCGFSZSA-N 2 0 328.457 0.245 10 0 ECAERP CC(C)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000170828174 436954394 /nfs/dbraw/zinc/95/43/94/436954394.db2.gz MCBLDLKWNYAYDN-JKSUJKDBSA-N 2 0 325.501 0.604 10 0 ECAERP COCCN1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C[C@H]1C ZINC000173663538 437060728 /nfs/dbraw/zinc/06/07/28/437060728.db2.gz TWEGXAGHZLWTMA-NVXWUHKLSA-N 2 0 341.496 0.959 10 0 ECAERP CNC(=O)[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000184624883 437407890 /nfs/dbraw/zinc/40/78/90/437407890.db2.gz OMXRNSMLQPOEBV-NVXWUHKLSA-N 2 0 334.464 0.766 10 0 ECAERP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000262443207 244977715 /nfs/dbraw/zinc/97/77/15/244977715.db2.gz TWMVBFRDGOKOOV-HOTGVXAUSA-N 2 0 348.447 0.420 10 0 ECAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117048588 285021980 /nfs/dbraw/zinc/02/19/80/285021980.db2.gz ZGGSCPRPHOMMES-HUUCEWRRSA-N 2 0 328.457 0.069 10 0 ECAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000246508872 165138661 /nfs/dbraw/zinc/13/86/61/165138661.db2.gz SQNNXJJZFOTJOM-CVEARBPZSA-N 2 0 326.485 0.936 10 0 ECAERP O=C(NC[C@@H]1CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261926898 165263837 /nfs/dbraw/zinc/26/38/37/165263837.db2.gz VTCOFGXJACGJEL-BPUTZDHNSA-N 2 0 334.464 0.330 10 0 ECAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000262229078 165312231 /nfs/dbraw/zinc/31/22/31/165312231.db2.gz KCPXRRSEOUQZNE-OIISXLGYSA-N 2 0 331.464 0.856 10 0 ECAERP COc1c(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(C)nn1C ZINC000262256368 165318261 /nfs/dbraw/zinc/31/82/61/165318261.db2.gz QOHQORZWCVROQI-GDBMZVCRSA-N 2 0 349.479 0.817 10 0 ECAERP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000262287762 165324043 /nfs/dbraw/zinc/32/40/43/165324043.db2.gz OLOCAYDAKSFPIZ-HOTGVXAUSA-N 2 0 335.473 0.546 10 0 ECAERP CNc1nc(N2CCn3nc([C@@H](O)C[NH+](C)C)cc3C2)cc(C)[nH+]1 ZINC000219762304 436696962 /nfs/dbraw/zinc/69/69/62/436696962.db2.gz OPLHASTVVJMWSO-AWEZNQCLSA-N 2 0 331.424 0.638 10 0 ECAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000126111349 436782799 /nfs/dbraw/zinc/78/27/99/436782799.db2.gz FOPRYQOPPABBCK-HZPDHXFCSA-N 2 0 326.485 0.984 10 0 ECAERP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C[C@H](C)O ZINC000248453942 436803898 /nfs/dbraw/zinc/80/38/98/436803898.db2.gz LOBVXRNAECEHEP-HRCADAONSA-N 2 0 338.496 0.957 10 0 ECAERP C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[NH+](C)C1 ZINC000172583518 437020690 /nfs/dbraw/zinc/02/06/90/437020690.db2.gz FWEOBHWEYDZETB-GJZGRUSLSA-N 2 0 345.443 0.917 10 0 ECAERP [NH3+]C1(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)CCOCC1 ZINC000261957231 303355047 /nfs/dbraw/zinc/35/50/47/303355047.db2.gz ZUOPEZPDVQRMKH-UHFFFAOYSA-N 2 0 325.453 0.646 10 0 ECAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390900997 438437450 /nfs/dbraw/zinc/43/74/50/438437450.db2.gz UDTGUGRHWRZPIV-SJLPKXTDSA-N 2 0 330.476 0.776 10 0 ECAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000119420268 221315581 /nfs/dbraw/zinc/31/55/81/221315581.db2.gz SSNBJMZSSMMJAI-HZPDHXFCSA-N 2 0 338.496 0.633 10 0 ECAERP CC1(C)CN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000261641377 165218858 /nfs/dbraw/zinc/21/88/58/165218858.db2.gz GIAIUZXPNQOVMV-MRXNPFEDSA-N 2 0 346.475 0.950 10 0 ECAERP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]([NH3+])C2CCOCC2)C[C@@H](C)O1 ZINC000261786638 165244114 /nfs/dbraw/zinc/24/41/14/165244114.db2.gz NGUANHHNEVFCPJ-IIAWOOMASA-N 2 0 327.469 0.746 10 0 ECAERP [NH3+]CC1(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000262084398 165287663 /nfs/dbraw/zinc/28/76/63/165287663.db2.gz COTHAFSHPOBHKC-OAHLLOKOSA-N 2 0 325.453 0.313 10 0 ECAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000262094593 165288871 /nfs/dbraw/zinc/28/88/71/165288871.db2.gz DHARZESPRVEXNL-BBWFWOEESA-N 2 0 331.464 0.810 10 0 ECAERP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CCN(c2cccnn2)CC1 ZINC000262213408 165310572 /nfs/dbraw/zinc/31/05/72/165310572.db2.gz TXXAZLATDJVCRE-UHFFFAOYSA-N 2 0 332.452 0.199 10 0 ECAERP COC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262285907 165321785 /nfs/dbraw/zinc/32/17/85/165321785.db2.gz MHMLKSDLPACOPH-ZFWWWQNUSA-N 2 0 334.420 0.296 10 0 ECAERP CC1C[C@@H](C(=O)N2CC[NH2+][C@H](C)C2)[C@H](C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000262785400 165386811 /nfs/dbraw/zinc/38/68/11/165386811.db2.gz MKDVZGZSWJLLJP-KLHDSHLOSA-N 2 0 336.480 0.289 10 0 ECAERP C[NH+](C)[C@@H]1CCN(C(=O)CSCC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000105600190 436576870 /nfs/dbraw/zinc/57/68/70/436576870.db2.gz UPCRSMRMWGAZHS-ZIAGYGMSSA-N 2 0 342.509 0.045 10 0 ECAERP CCNC(=O)CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845944 436581854 /nfs/dbraw/zinc/58/18/54/436581854.db2.gz BYLSQTVRUWRQQB-MRXNPFEDSA-N 2 0 326.485 0.239 10 0 ECAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000246332805 436778170 /nfs/dbraw/zinc/77/81/70/436778170.db2.gz OMAWSDZHMLJYCW-ZACQAIPSSA-N 2 0 337.512 0.891 10 0 ECAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C[NH+]1CCN(C)CC1 ZINC000247242920 436791112 /nfs/dbraw/zinc/79/11/12/436791112.db2.gz YBCSUHUDIJMLJE-IRXDYDNUSA-N 2 0 337.512 0.750 10 0 ECAERP CC[C@H](C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC000164200589 436929980 /nfs/dbraw/zinc/92/99/80/436929980.db2.gz HXQYOBQNDOXDLZ-IAGOWNOFSA-N 2 0 340.512 0.580 10 0 ECAERP Cn1cncc1C(=O)N[C@@H]1CN(C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000169791084 609747317 /nfs/dbraw/zinc/74/73/17/609747317.db2.gz FCYDPKUBAIEJHG-UKRRQHHQSA-N 2 0 335.452 0.191 10 0 ECAERP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000236851189 284595253 /nfs/dbraw/zinc/59/52/53/284595253.db2.gz TWTXLMZHQVMHLG-INIZCTEOSA-N 2 0 338.496 0.825 10 0 ECAERP CCC[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[NH+](C)C ZINC000119458202 221324696 /nfs/dbraw/zinc/32/46/96/221324696.db2.gz ULNPBLUHPDEIJM-AWEZNQCLSA-N 2 0 338.456 0.230 10 0 ECAERP CC1(C)CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[C@@H]1[NH3+] ZINC000261624719 165217609 /nfs/dbraw/zinc/21/76/09/165217609.db2.gz DSLUZIACIPBRQE-HNNXBMFYSA-N 2 0 348.447 0.623 10 0 ECAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262222080 165309766 /nfs/dbraw/zinc/30/97/66/165309766.db2.gz JPCQDQAOTDZLGX-HNNXBMFYSA-N 2 0 327.469 0.701 10 0 ECAERP [NH3+]CC1(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCOCC1 ZINC000262264772 165318494 /nfs/dbraw/zinc/31/84/94/165318494.db2.gz MLNUIDGVYOJHOF-UHFFFAOYSA-N 2 0 339.480 0.845 10 0 ECAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117048581 277222925 /nfs/dbraw/zinc/22/29/25/277222925.db2.gz ZGGSCPRPHOMMES-LSDHHAIUSA-N 2 0 328.457 0.069 10 0 ECAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000262224888 294300859 /nfs/dbraw/zinc/30/08/59/294300859.db2.gz JTFMKTXTLFBRDE-BBWFWOEESA-N 2 0 331.464 0.810 10 0 ECAERP [NH3+]CCCCCCCCCCCC[N@@H+]1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000044960157 436357286 /nfs/dbraw/zinc/35/72/86/436357286.db2.gz XUKDCKJRAWVROB-BRSBDYLESA-N 2 0 346.512 0.605 10 0 in-vitro ECAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000114456689 436642059 /nfs/dbraw/zinc/64/20/59/436642059.db2.gz QPDFKBNIZWIMGW-MRXNPFEDSA-N 2 0 348.495 0.979 10 0 ECAERP CC(=O)N[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@@H](NC(C)=O)C2)C1 ZINC000246922818 436787239 /nfs/dbraw/zinc/78/72/39/436787239.db2.gz IMDGBZBCTRZECC-QZTJIDSGSA-N 2 0 338.496 0.968 10 0 ECAERP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000262083042 436905025 /nfs/dbraw/zinc/90/50/25/436905025.db2.gz KUUYSBMIYOSCGV-HNNXBMFYSA-N 2 0 332.452 0.199 10 0 ECAERP CN1CC[NH2+]C[C@@H]1c1noc(-c2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000263216314 436955645 /nfs/dbraw/zinc/95/56/45/436955645.db2.gz KYRRMMYKNSVDHW-CQSZACIVSA-N 2 0 343.435 0.460 10 0 ECAERP CC[C@H](O)C[NH+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000174075218 437073586 /nfs/dbraw/zinc/07/35/86/437073586.db2.gz WFJMFRXJWVOTDH-KRWDZBQOSA-N 2 0 340.512 0.364 10 0 ECAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000182441114 437350787 /nfs/dbraw/zinc/35/07/87/437350787.db2.gz VVELNNZTJOWEBK-INIZCTEOSA-N 2 0 325.501 0.750 10 0 ECAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[NH2+]CCOC1 ZINC000643790110 440317233 /nfs/dbraw/zinc/31/72/33/440317233.db2.gz RMIOGKMTCVRZGN-ZWKOTPCHSA-N 2 0 347.459 0.630 10 0 ECAERP COCC[N@@H+]1C[C@@H](CO)C2(C1)CC[NH+](Cc1cn(C)nc1C)CC2 ZINC000169789946 609746592 /nfs/dbraw/zinc/74/65/92/609746592.db2.gz KPYFXGSNISASDW-KRWDZBQOSA-N 2 0 336.480 0.881 10 0 ECAERP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000189588030 165013711 /nfs/dbraw/zinc/01/37/11/165013711.db2.gz AJBCUDIBLBRFCD-CQSZACIVSA-N 2 0 343.497 0.386 10 0 ECAERP C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000262575184 165364954 /nfs/dbraw/zinc/36/49/54/165364954.db2.gz YBHUNADLTVEOFI-ZDUSSCGKSA-N 2 0 327.450 0.787 10 0 ECAERP COC[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000262232024 293118119 /nfs/dbraw/zinc/11/81/19/293118119.db2.gz GYIMTCQOHXNOKY-WFASDCNBSA-N 2 0 338.427 0.728 10 0 ECAERP CCNC(=O)CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845948 436580979 /nfs/dbraw/zinc/58/09/79/436580979.db2.gz BYLSQTVRUWRQQB-INIZCTEOSA-N 2 0 326.485 0.239 10 0 ECAERP CC[C@@H](O)CN1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000248461810 436803752 /nfs/dbraw/zinc/80/37/52/436803752.db2.gz VJRDUUUPJQAAEP-HZPDHXFCSA-N 2 0 326.485 0.816 10 0 ECAERP Cn1ccnc1CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000262001120 436900325 /nfs/dbraw/zinc/90/03/25/436900325.db2.gz PUVHHFPXUAQGAY-CABCVRRESA-N 2 0 331.464 0.890 10 0 ECAERP CS[C@@H]1CN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@@H]1[NH+](C)C ZINC000262851903 436943884 /nfs/dbraw/zinc/94/38/84/436943884.db2.gz VJCHGGBMRHVMBG-AEGPPILISA-N 2 0 337.493 0.925 10 0 ECAERP Cc1cccc(CN2CCN(C(=O)CN3C[C@@H](O)C[C@@H]3CO)CC2)c1 ZINC000179177439 437255802 /nfs/dbraw/zinc/25/58/02/437255802.db2.gz DXAJAORAPMIRGU-MSOLQXFVSA-N 2 0 347.459 0.067 10 0 ECAERP Cc1nn(C)c(C)c1CN1CC[NH+]([C@@H](C)CN2CCOCC2)CC1 ZINC000180615095 437295761 /nfs/dbraw/zinc/29/57/61/437295761.db2.gz SLSPQHRLDHDFCV-HNNXBMFYSA-N 2 0 335.496 0.875 10 0 ECAERP Cc1nn(C)c(C)c1CN1CC[NH+]([C@H](C)CN2CCOCC2)CC1 ZINC000180615111 437297034 /nfs/dbraw/zinc/29/70/34/437297034.db2.gz SLSPQHRLDHDFCV-OAHLLOKOSA-N 2 0 335.496 0.875 10 0 ECAERP CCC[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000236812089 535675780 /nfs/dbraw/zinc/67/57/80/535675780.db2.gz YKSJRIJULFYFLF-INIZCTEOSA-N 2 0 338.496 0.955 10 0 ECAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC(S(N)(=O)=O)CC1 ZINC000677710271 548951912 /nfs/dbraw/zinc/95/19/12/548951912.db2.gz ZRUMUSHHRVYQRR-HNNXBMFYSA-N 2 0 341.477 0.232 10 0 ECAERP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1=O ZINC000173722255 231014048 /nfs/dbraw/zinc/01/40/48/231014048.db2.gz WRISBQLFTUWIJG-IRXDYDNUSA-N 2 0 346.475 0.816 10 0 ECAERP CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CC[NH+]1Cc2ccccc2C1 ZINC000067821326 215223376 /nfs/dbraw/zinc/22/33/76/215223376.db2.gz VGJQDSJZWWZBOB-IRXDYDNUSA-N 2 0 344.459 0.845 10 0 ECAERP COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261752993 165237263 /nfs/dbraw/zinc/23/72/63/165237263.db2.gz LXFNIAAWHJHIIL-OAHLLOKOSA-N 2 0 349.479 0.965 10 0 ECAERP NS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262471366 165353825 /nfs/dbraw/zinc/35/38/25/165353825.db2.gz JGWJJXXZGFZGRQ-KCPJHIHWSA-N 2 0 325.434 0.382 10 0 ECAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000262514292 165357540 /nfs/dbraw/zinc/35/75/40/165357540.db2.gz QBTPVINJYZKBNQ-GXFFZTMASA-N 2 0 328.438 0.236 10 0 ECAERP C[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000113447820 279340025 /nfs/dbraw/zinc/34/00/25/279340025.db2.gz CXAQIRAXIWEQOO-SJLPKXTDSA-N 2 0 332.492 0.911 10 0 ECAERP C[N@@H+](Cc1ccccc1-c1nc(C[NH3+])cc(=O)[nH]1)C[C@H]1COCCO1 ZINC000023541986 436127251 /nfs/dbraw/zinc/12/72/51/436127251.db2.gz NGRKYISZIYXYEO-HNNXBMFYSA-N 2 0 344.415 0.743 10 0 ECAERP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000247074218 436789028 /nfs/dbraw/zinc/78/90/28/436789028.db2.gz IYZYGAGGTZEMRH-BRWVUGGUSA-N 2 0 339.528 0.898 10 0 ECAERP CO[C@H]1C[C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[N@H+](C)C1 ZINC000344047629 437722599 /nfs/dbraw/zinc/72/25/99/437722599.db2.gz BQORWCDLJGUMEZ-HOTGVXAUSA-N 2 0 325.453 0.276 10 0 ECAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000390893213 438436600 /nfs/dbraw/zinc/43/66/00/438436600.db2.gz NBVUNCHTQNNXMD-QZTJIDSGSA-N 2 0 346.475 0.297 10 0 ECAERP CC(C)[NH+]1CCC(NC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000114456727 220689589 /nfs/dbraw/zinc/68/95/89/220689589.db2.gz JUDWYCIRHJJZSI-INIZCTEOSA-N 2 0 326.485 0.238 10 0 ECAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000247021002 165150206 /nfs/dbraw/zinc/15/02/06/165150206.db2.gz PDXARIMRTWSOGZ-IRXDYDNUSA-N 2 0 337.512 0.750 10 0 ECAERP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3C[NH2+]C3)c2)C1 ZINC000262157526 165301945 /nfs/dbraw/zinc/30/19/45/165301945.db2.gz ARXCNNJDBPFESY-HNNXBMFYSA-N 2 0 330.432 0.220 10 0 ECAERP COC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262255739 165318001 /nfs/dbraw/zinc/31/80/01/165318001.db2.gz IZBWUVPIAOAJGT-HNNXBMFYSA-N 2 0 349.435 0.815 10 0 ECAERP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]([NH3+])COC)c1 ZINC000262467659 165353944 /nfs/dbraw/zinc/35/39/44/165353944.db2.gz XYVYKACEIMUIAX-HNNXBMFYSA-N 2 0 336.436 0.670 10 0 ECAERP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1CCCCC1 ZINC000237198629 289361475 /nfs/dbraw/zinc/36/14/75/289361475.db2.gz JYJHHHDXWMHMNK-ZIAGYGMSSA-N 2 0 333.498 0.375 10 0 ECAERP C(C[NH+]1CCC(C2=[NH+]CCN2)CC1)C[NH+]1CCC(C2=[NH+]CCN2)CC1 ZINC000005847382 435993491 /nfs/dbraw/zinc/99/34/91/435993491.db2.gz GMPAVAQLPAUNDU-UHFFFAOYSA-N 4 0 346.523 0.804 10 0 ECAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106534878 436597853 /nfs/dbraw/zinc/59/78/53/436597853.db2.gz OVMVUIIPGFQDKB-JKSUJKDBSA-N 2 0 327.517 0.898 10 0 ECAERP CCS(=O)(=O)NCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000132593645 436868105 /nfs/dbraw/zinc/86/81/05/436868105.db2.gz RXTZWYUAVZGQFC-CQSZACIVSA-N 2 0 335.514 0.340 10 0 ECAERP O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000168099046 609735890 /nfs/dbraw/zinc/73/58/90/609735890.db2.gz RVHMXQJNOYRDCV-MSOLQXFVSA-N 2 0 347.459 0.537 10 0 ECAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000105862558 287086028 /nfs/dbraw/zinc/08/60/28/287086028.db2.gz KLXUWMFRVXXNRA-CYBMUJFWSA-N 2 0 340.468 0.341 10 0 ECAERP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]([NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000261786645 165244062 /nfs/dbraw/zinc/24/40/62/165244062.db2.gz NGUANHHNEVFCPJ-LZWOXQAQSA-N 2 0 327.469 0.746 10 0 ECAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)C1 ZINC000262027329 165278963 /nfs/dbraw/zinc/27/89/63/165278963.db2.gz BBXFDXIFTCKXKT-NVXWUHKLSA-N 2 0 338.496 0.095 10 0 ECAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000262090176 165288937 /nfs/dbraw/zinc/28/89/37/165288937.db2.gz UKJVESZTCRCKAK-TWMKSMIVSA-N 2 0 338.496 0.510 10 0 ECAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000262668153 165373784 /nfs/dbraw/zinc/37/37/84/165373784.db2.gz LQLNMZCSCKMCPI-XJKSGUPXSA-N 2 0 334.464 0.968 10 0 ECAERP CC[NH+](CC)CC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105818509 436579373 /nfs/dbraw/zinc/57/93/73/436579373.db2.gz UIGIOFZXDTWHAS-QGZVFWFLSA-N 2 0 340.512 0.582 10 0 ECAERP C[NH+](C)CCN1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105112139 436569870 /nfs/dbraw/zinc/56/98/70/436569870.db2.gz GHOKTZFUJKDKED-KRWDZBQOSA-N 2 0 337.512 0.892 10 0 ECAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000114176058 436640090 /nfs/dbraw/zinc/64/00/90/436640090.db2.gz ZQHVBOSZKZTKEH-HUUCEWRRSA-N 2 0 326.485 0.489 10 0 ECAERP C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C[NH+]1CCCC1 ZINC000194452347 436665229 /nfs/dbraw/zinc/66/52/29/436665229.db2.gz NAYHXBAXVVFVPY-HZPDHXFCSA-N 2 0 326.485 0.864 10 0 ECAERP CC1C[C@H](C(=O)N2CC[NH2+][C@H](C)C2)[C@@H](C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000262785406 436942445 /nfs/dbraw/zinc/94/24/45/436942445.db2.gz MKDVZGZSWJLLJP-WCVJEAGWSA-N 2 0 336.480 0.289 10 0 ECAERP C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000179316312 437259253 /nfs/dbraw/zinc/25/92/53/437259253.db2.gz GEUXQDULBFONLH-INIZCTEOSA-N 2 0 349.483 0.651 10 0 ECAERP COc1ccc(-c2n[nH]cc2CNC(=O)C23C[NH2+]CC2C[NH2+]C3)cc1 ZINC000067714298 609423733 /nfs/dbraw/zinc/42/37/33/609423733.db2.gz WGRBWUPDSFDGSB-UHFFFAOYSA-N 2 0 341.415 0.511 10 0 ECAERP C[NH2+]CC(=O)N1CCC2(C[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000169750492 609646378 /nfs/dbraw/zinc/64/63/78/609646378.db2.gz VTSWKMWUNASCLP-QGZVFWFLSA-N 2 0 331.460 0.939 10 0 ECAERP COCC[NH+]1CCN(CCN2CC[N@@H+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000114719658 285049362 /nfs/dbraw/zinc/04/93/62/285049362.db2.gz YRYIPTXGXCWWAT-HDICACEKSA-N 2 0 342.528 0.291 10 0 ECAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]([NH+](C)C)C2)CC1=O ZINC000105328625 285255243 /nfs/dbraw/zinc/25/52/43/285255243.db2.gz QYHDAHAMIWEQSX-OWCLPIDISA-N 2 0 336.480 0.482 10 0 ECAERP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516173 165085003 /nfs/dbraw/zinc/08/50/03/165085003.db2.gz ALPKJVPLCCSUGZ-AWEZNQCLSA-N 2 0 334.420 0.803 10 0 ECAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000246508885 165137709 /nfs/dbraw/zinc/13/77/09/165137709.db2.gz SQNNXJJZFOTJOM-HOTGVXAUSA-N 2 0 326.485 0.936 10 0 ECAERP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261951738 165267600 /nfs/dbraw/zinc/26/76/00/165267600.db2.gz KCIMGUHKGQCSRF-INIZCTEOSA-N 2 0 326.485 0.130 10 0 ECAERP O=C(CN1CCC[C@H](c2nnc[nH]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000333332941 297125767 /nfs/dbraw/zinc/12/57/67/297125767.db2.gz RNPUXRSRKCTLDV-ZDUSSCGKSA-N 2 0 332.452 0.727 10 0 ECAERP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862022 436581230 /nfs/dbraw/zinc/58/12/30/436581230.db2.gz MSXUGQVMVWGZPI-OLZOCXBDSA-N 2 0 328.457 0.245 10 0 ECAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000114456686 436642053 /nfs/dbraw/zinc/64/20/53/436642053.db2.gz QPDFKBNIZWIMGW-INIZCTEOSA-N 2 0 348.495 0.979 10 0 ECAERP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247168921 436789348 /nfs/dbraw/zinc/78/93/48/436789348.db2.gz MSXUGQVMVWGZPI-STQMWFEESA-N 2 0 328.457 0.245 10 0 ECAERP CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NS(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000886080268 590792483 /nfs/dbraw/zinc/79/24/83/590792483.db2.gz SFUVUYTWXXGTTL-XHSDSOJGSA-N 2 0 345.509 0.643 10 0 ECAERP CN1CCN(Nc2[nH+]cnc(NCC[NH+]3CCCCC3)c2N)CC1 ZINC000040756227 213383086 /nfs/dbraw/zinc/38/30/86/213383086.db2.gz AAQRAZKTCUAVRE-UHFFFAOYSA-N 2 0 334.472 0.531 10 0 ECAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C[C@H]1C ZINC000185964367 287090558 /nfs/dbraw/zinc/09/05/58/287090558.db2.gz ZYLGNRQZTQZMSI-HUUCEWRRSA-N 2 0 326.485 0.815 10 0 ECAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000248857371 165189074 /nfs/dbraw/zinc/18/90/74/165189074.db2.gz POORAHLWGCFKNH-OAGGEKHMSA-N 2 0 327.469 0.617 10 0 ECAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261804385 165245132 /nfs/dbraw/zinc/24/51/32/165245132.db2.gz HDPIKJOKJMFDKZ-BBRMVZONSA-N 2 0 327.469 0.292 10 0 ECAERP Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)n1 ZINC000261963094 165269371 /nfs/dbraw/zinc/26/93/71/165269371.db2.gz ASOUAIJTHZWZEK-MRXNPFEDSA-N 2 0 331.464 0.946 10 0 ECAERP C[C@@H]1CN(Cc2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cc2)C[C@H](C)O1 ZINC000262368206 165338654 /nfs/dbraw/zinc/33/86/54/165338654.db2.gz VVOBQIFJCYCMGJ-DACLVMHWSA-N 2 0 347.459 0.606 10 0 ECAERP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C[C@H]1C ZINC000248702893 278291130 /nfs/dbraw/zinc/29/11/30/278291130.db2.gz ZYLGNRQZTQZMSI-CABCVRRESA-N 2 0 326.485 0.815 10 0 ECAERP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C[C@@H](O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000246013743 288306288 /nfs/dbraw/zinc/30/62/88/288306288.db2.gz UBPOLAXFBUGHQD-RHQZKXFESA-N 2 0 336.524 0.684 10 0 ECAERP [NH3+][C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000262064388 295291877 /nfs/dbraw/zinc/29/18/77/295291877.db2.gz RWMBEVVDIHFAJK-GOEBONIOSA-N 2 0 325.453 0.311 10 0 ECAERP CN(CC(=O)NC(=O)NC1CC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000333137276 297113050 /nfs/dbraw/zinc/11/30/50/297113050.db2.gz JPPDHMZSFZRNNY-YOEHRIQHSA-N 2 0 345.447 0.994 10 0 ECAERP CC[C@H]1CN(C(=O)NCC[NH+](C)CCOC)CC[N@@H+]1C[C@H](C)O ZINC000248431572 436802523 /nfs/dbraw/zinc/80/25/23/436802523.db2.gz BOVBDDBFWPGHIV-GJZGRUSLSA-N 2 0 330.473 0.051 10 0 ECAERP CCN1CC[NH+](CCCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170830034 436955296 /nfs/dbraw/zinc/95/52/96/436955296.db2.gz KPSKPCIUCFMTFZ-MRXNPFEDSA-N 2 0 325.501 0.750 10 0 ECAERP COCCCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171588765 436982490 /nfs/dbraw/zinc/98/24/90/436982490.db2.gz ZHNXVJOGBFQHBV-GJZGRUSLSA-N 2 0 329.485 0.552 10 0 ECAERP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000173505996 437054520 /nfs/dbraw/zinc/05/45/20/437054520.db2.gz PDXARIMRTWSOGZ-IAGOWNOFSA-N 2 0 337.512 0.750 10 0 ECAERP CN1Cc2ccc(NC(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2C1 ZINC000177681280 437194277 /nfs/dbraw/zinc/19/42/77/437194277.db2.gz DQAFQTSDYYVSSU-MRXNPFEDSA-N 2 0 328.416 0.877 10 0 ECAERP CN1CCN(C(=O)C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000180475992 437292318 /nfs/dbraw/zinc/29/23/18/437292318.db2.gz ZIUDQNDVXQWCJJ-HNNXBMFYSA-N 2 0 332.452 0.151 10 0 ECAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000390861148 438437137 /nfs/dbraw/zinc/43/71/37/438437137.db2.gz MATBEPGPQHRCEB-BRWVUGGUSA-N 2 0 333.432 0.117 10 0 ECAERP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)CC[C@@H](C)[NH3+])CC2)C1 ZINC000193323677 535221475 /nfs/dbraw/zinc/22/14/75/535221475.db2.gz KVDMIKKAWVJZII-HZPDHXFCSA-N 2 0 326.485 0.367 10 0 ECAERP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000900842825 586669240 /nfs/dbraw/zinc/66/92/40/586669240.db2.gz AKRVLCYGHKWIKE-IAGOWNOFSA-N 2 0 340.512 0.316 10 0 ECAERP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000900842832 586669302 /nfs/dbraw/zinc/66/93/02/586669302.db2.gz AKRVLCYGHKWIKE-SJORKVTESA-N 2 0 340.512 0.316 10 0 ECAERP C[NH+](C)CCNC(=O)[C@H]1C[N@H+](Cc2cccnc2)CC12CCOCC2 ZINC000169792444 609747549 /nfs/dbraw/zinc/74/75/49/609747549.db2.gz BRQQRUZSUXJFPK-QGZVFWFLSA-N 2 0 346.475 0.988 10 0 ECAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCO[C@H](C)C2)CC1 ZINC000171588632 609762539 /nfs/dbraw/zinc/76/25/39/609762539.db2.gz WXBUWDLSBPZOTI-HUUCEWRRSA-N 2 0 327.469 0.258 10 0 ECAERP CS[C@@H]1CN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@H]1[NH+](C)C ZINC000262851905 245214301 /nfs/dbraw/zinc/21/43/01/245214301.db2.gz VJCHGGBMRHVMBG-NWANDNLSSA-N 2 0 337.493 0.925 10 0 ECAERP C[NH+](C)C[C@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)CCO1 ZINC000117032682 221024752 /nfs/dbraw/zinc/02/47/52/221024752.db2.gz FUMBBEKFZDBEDP-HNNXBMFYSA-N 2 0 328.457 0.071 10 0 ECAERP OC(CN1CC[NH+]2CCCC[C@H]2C1)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248756382 165185374 /nfs/dbraw/zinc/18/53/74/165185374.db2.gz WSOWFTANSAIEOW-ROUUACIJSA-N 2 0 336.524 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CC1CC[NH+](CCNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000192801665 263166039 /nfs/dbraw/zinc/16/60/39/263166039.db2.gz WDIISTGSFIOXBY-INIZCTEOSA-N 2 0 326.485 0.864 10 0 ECAERP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C[C@@H]1C ZINC000248702900 290094543 /nfs/dbraw/zinc/09/45/43/290094543.db2.gz ZYLGNRQZTQZMSI-GJZGRUSLSA-N 2 0 326.485 0.815 10 0 ECAERP CCN1CCO[C@@H](C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)C1 ZINC000173418512 437047922 /nfs/dbraw/zinc/04/79/22/437047922.db2.gz FVTUSFLHTIZHMD-UONOGXRCSA-N 2 0 348.451 0.324 10 0 ECAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCN(C)CC1 ZINC000173505410 437053953 /nfs/dbraw/zinc/05/39/53/437053953.db2.gz YBCSUHUDIJMLJE-DLBZAZTESA-N 2 0 337.512 0.750 10 0 ECAERP C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@@H](n3cncn3)C2)CC1 ZINC000179316318 437258679 /nfs/dbraw/zinc/25/86/79/437258679.db2.gz GEUXQDULBFONLH-MRXNPFEDSA-N 2 0 349.483 0.651 10 0 ECAERP CC(=O)N[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](NC(C)=O)C2)C1 ZINC000249687652 165201515 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NC(=O)c1sc2cc(N3CCC([NH3+])CC3)cc(OCC[NH3+])c2c1N ZINC000006745115 283440022 /nfs/dbraw/zinc/44/00/22/283440022.db2.gz VDBWEFXGNRLCIB-UHFFFAOYSA-N 2 0 349.460 0.847 10 0 ECAERP [NH3+]C[C@@H]1CN(c2nc(-c3ccccc3)nc3c2CC[NH2+]CC3)CCO1 ZINC000072428036 216218946 /nfs/dbraw/zinc/21/89/46/216218946.db2.gz AAQXVYKXXFJUEB-OAHLLOKOSA-N 2 0 339.443 0.996 10 0 ECAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000261560218 165212286 /nfs/dbraw/zinc/21/22/86/165212286.db2.gz UNRSYKHZADIIDA-PBHICJAKSA-N 2 0 334.464 0.723 10 0 ECAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261804397 165245834 /nfs/dbraw/zinc/24/58/34/165245834.db2.gz HDPIKJOKJMFDKZ-XJKSGUPXSA-N 2 0 327.469 0.292 10 0 ECAERP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3C[NH2+]C[C@H]3O)CC2)c1 ZINC000262082343 165287752 /nfs/dbraw/zinc/28/77/52/165287752.db2.gz CMTALYGEDJPWAU-SJLPKXTDSA-N 2 0 346.475 0.204 10 0 ECAERP C[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000113447822 436637485 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/nfs/dbraw/zinc/33/09/40/165330940.db2.gz SCNDTNORCXSUAP-CVEARBPZSA-N 2 0 339.480 0.762 10 0 ECAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000262339078 165332278 /nfs/dbraw/zinc/33/22/78/165332278.db2.gz ZZWHDPPJMNGOFR-QWHCGFSZSA-N 2 0 336.440 0.017 10 0 ECAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000173914273 279358670 /nfs/dbraw/zinc/35/86/70/279358670.db2.gz FRAWMVCJNONTOT-JKSUJKDBSA-N 2 0 325.501 0.606 10 0 ECAERP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CC(O)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246012637 288305709 /nfs/dbraw/zinc/30/57/09/288305709.db2.gz UBPOLAXFBUGHQD-BRSBDYLESA-N 2 0 336.524 0.684 10 0 ECAERP C[N@@H+](CC(=O)NC(N)=O)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862814 436581405 /nfs/dbraw/zinc/58/14/05/436581405.db2.gz DFSRTIBQPKOGOA-MRXNPFEDSA-N 2 0 348.447 0.559 10 0 ECAERP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106921924 436604969 /nfs/dbraw/zinc/60/49/69/436604969.db2.gz ZFMSXIDRYDYVAA-WMZOPIPTSA-N 2 0 332.492 0.911 10 0 ECAERP CC[C@@H](O)CN1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000136843262 436653786 /nfs/dbraw/zinc/65/37/86/436653786.db2.gz XFFOHFVJFUIFCL-CQSZACIVSA-N 2 0 338.456 0.365 10 0 ECAERP [NH3+]CCCCCCNC(=O)CC([NH3+])CC(=O)NCCCCCC[NH3+] ZINC000225811345 436712837 /nfs/dbraw/zinc/71/28/37/436712837.db2.gz LBWGCXSVRFVUIV-UHFFFAOYSA-N 3 0 343.516 0.365 10 0 ECAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000246332789 436778223 /nfs/dbraw/zinc/77/82/23/436778223.db2.gz OMAWSDZHMLJYCW-BBWFWOEESA-N 2 0 337.512 0.891 10 0 ECAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)COC2CCOCC2)CC1 ZINC000127505477 436803970 /nfs/dbraw/zinc/80/39/70/436803970.db2.gz YQIXAKOYDVNXMF-RDJZCZTQSA-N 2 0 344.496 0.568 10 0 ECAERP CC[C@@H](O)CN1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000184833784 437413823 /nfs/dbraw/zinc/41/38/23/437413823.db2.gz NOHPQMXTBOCARB-MRXNPFEDSA-N 2 0 326.485 0.816 10 0 ECAERP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000341629834 437875895 /nfs/dbraw/zinc/87/58/95/437875895.db2.gz GDBXVCIEBSLJJU-KFWWJZLASA-N 2 0 326.485 0.956 10 0 ECAERP C[NH+](C)[C@@H]1CCN(c2cc(N3CC[C@H]([NH+](C)C)C3)nc3ncnn32)C1 ZINC000248675308 545942821 /nfs/dbraw/zinc/94/28/21/545942821.db2.gz YBAHGYQKLDLSSA-UONOGXRCSA-N 2 0 344.467 0.405 10 0 ECAERP NC(=O)[C@H]1CCCN(C(=O)CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261635886 165219365 /nfs/dbraw/zinc/21/93/65/165219365.db2.gz FGQIKWQOKDZKMY-BBWFWOEESA-N 2 0 344.459 0.385 10 0 ECAERP COC[C@@H]([NH3+])C(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000262245412 165315664 /nfs/dbraw/zinc/31/56/64/165315664.db2.gz ICBGQXNSZUXPGW-MRXNPFEDSA-N 2 0 337.420 0.322 10 0 ECAERP CN(CCN1CCN(c2ccccc2)CC1)Cc1noc(CN)n1 ZINC000262247010 165316099 /nfs/dbraw/zinc/31/60/99/165316099.db2.gz PPQAIVJPNBBRPR-UHFFFAOYSA-N 2 0 330.436 0.782 10 0 ECAERP CN1CCN([C@@H](C(=O)NC[C@@H]2CN(C)CCO2)c2ccccc2)CC1 ZINC000104873908 436564906 /nfs/dbraw/zinc/56/49/06/436564906.db2.gz GXKNCWVVVDAQOS-QZTJIDSGSA-N 2 0 346.475 0.422 10 0 ECAERP CN1CCN([C@H](C(=O)NC[C@@H]2CN(C)CCO2)c2ccccc2)CC1 ZINC000104873906 436565990 /nfs/dbraw/zinc/56/59/90/436565990.db2.gz GXKNCWVVVDAQOS-MSOLQXFVSA-N 2 0 346.475 0.422 10 0 ECAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)NC(N)=O ZINC000105861501 436580934 /nfs/dbraw/zinc/58/09/34/436580934.db2.gz IEGKQLYPKBILJI-CZUORRHYSA-N 2 0 348.447 0.605 10 0 ECAERP CCCNC(=O)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105861993 436581989 /nfs/dbraw/zinc/58/19/89/436581989.db2.gz CUJRGCMVONJEIW-CYBMUJFWSA-N 2 0 328.457 0.247 10 0 ECAERP CN1CCN(c2cc(N3CC[N@@H+]4CCCC[C@H]4C3)ncn2)CC1=O ZINC000274330959 436816257 /nfs/dbraw/zinc/81/62/57/436816257.db2.gz FXIRODUJECYRHA-AWEZNQCLSA-N 2 0 330.436 0.430 10 0 ECAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)COC2CCOCC2)CC1 ZINC000245888632 436768460 /nfs/dbraw/zinc/76/84/60/436768460.db2.gz YQIXAKOYDVNXMF-NVXWUHKLSA-N 2 0 344.496 0.568 10 0 ECAERP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000263334337 436963506 /nfs/dbraw/zinc/96/35/06/436963506.db2.gz VUXKIKRMVHDJAH-UHFFFAOYSA-N 2 0 330.476 0.920 10 0 ECAERP C[NH+]1CCC(CCNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000171379941 436977141 /nfs/dbraw/zinc/97/71/41/436977141.db2.gz BHNBGQKIHRXUAM-INIZCTEOSA-N 2 0 326.485 0.864 10 0 ECAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000310264112 437170712 /nfs/dbraw/zinc/17/07/12/437170712.db2.gz GYMUENHGWQUMNT-OAHLLOKOSA-N 2 0 332.448 0.445 10 0 ECAERP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[NH2+]CCOC1 ZINC000649349024 440478973 /nfs/dbraw/zinc/47/89/73/440478973.db2.gz SPMNIUCSMDHWHT-SFHVURJKSA-N 2 0 346.475 0.156 10 0 ECAERP C[NH+](C)[C@H]1CCN(c2cc(N3CC[C@H]([NH+](C)C)C3)n3ncnc3n2)C1 ZINC000192562754 545910669 /nfs/dbraw/zinc/91/06/69/545910669.db2.gz YBAHGYQKLDLSSA-KBPBESRZSA-N 2 0 344.467 0.405 10 0 ECAERP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000237091792 242478373 /nfs/dbraw/zinc/47/83/73/242478373.db2.gz WXKCKOMAEYNOAX-OAHLLOKOSA-N 2 0 338.496 0.681 10 0 ECAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1=O ZINC000246473806 285254934 /nfs/dbraw/zinc/25/49/34/285254934.db2.gz QYHDAHAMIWEQSX-BZUAXINKSA-N 2 0 336.480 0.482 10 0 ECAERP CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261863973 165254024 /nfs/dbraw/zinc/25/40/24/165254024.db2.gz CJOPMMGIYDDEBV-TUVASFSCSA-N 2 0 331.482 0.157 10 0 ECAERP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])C3CCOCC3)cn2)CC1 ZINC000261890048 165259933 /nfs/dbraw/zinc/25/99/33/165259933.db2.gz VIZNJOGOXBCNCF-KRWDZBQOSA-N 2 0 347.463 0.204 10 0 ECAERP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261951739 165267133 /nfs/dbraw/zinc/26/71/33/165267133.db2.gz KCIMGUHKGQCSRF-MRXNPFEDSA-N 2 0 326.485 0.130 10 0 ECAERP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CCN(CCn2cccn2)CC1 ZINC000262064922 165284113 /nfs/dbraw/zinc/28/41/13/165284113.db2.gz JKGAQAIDLCVPHJ-UHFFFAOYSA-N 2 0 348.495 0.101 10 0 ECAERP COC[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000262232014 165314320 /nfs/dbraw/zinc/31/43/20/165314320.db2.gz GYIMTCQOHXNOKY-IUODEOHRSA-N 2 0 338.427 0.728 10 0 ECAERP O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000262287765 165323642 /nfs/dbraw/zinc/32/36/42/165323642.db2.gz OLOCAYDAKSFPIZ-HZPDHXFCSA-N 2 0 335.473 0.546 10 0 ECAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000113588780 436638304 /nfs/dbraw/zinc/63/83/04/436638304.db2.gz XFTKFVVKPDYMHY-DOTOQJQBSA-N 2 0 337.512 0.891 10 0 ECAERP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000249526663 436823372 /nfs/dbraw/zinc/82/33/72/436823372.db2.gz UOHYONYLJYJXSE-HZPDHXFCSA-N 2 0 326.485 0.864 10 0 ECAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179285674 437258446 /nfs/dbraw/zinc/25/84/46/437258446.db2.gz FIRVDFJDXQZGIQ-DOTOQJQBSA-N 2 0 337.512 0.891 10 0 ECAERP CC[C@@H]1CN(C(=O)NCC[NH+](C)CCOC)CC[N@@H+]1C[C@@H](C)O ZINC000185048260 437422507 /nfs/dbraw/zinc/42/25/07/437422507.db2.gz BOVBDDBFWPGHIV-HUUCEWRRSA-N 2 0 330.473 0.051 10 0 ECAERP C[NH+](C)[C@@H]1CCN(c2cc(N3CC[C@H]([NH+](C)C)C3)n3ncnc3n2)C1 ZINC000192562738 545910554 /nfs/dbraw/zinc/91/05/54/545910554.db2.gz YBAHGYQKLDLSSA-KGLIPLIRSA-N 2 0 344.467 0.405 10 0 ECAERP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263115249 545949078 /nfs/dbraw/zinc/94/90/78/545949078.db2.gz AOOQODYHHXLHLU-MJGOQNOKSA-N 2 0 332.492 0.889 10 0 ECAERP CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NS(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000886080267 590792383 /nfs/dbraw/zinc/79/23/83/590792383.db2.gz SFUVUYTWXXGTTL-OAGGEKHMSA-N 2 0 345.509 0.643 10 0 ECAERP CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC[NH+]1Cc2ccccc2C1 ZINC000067785487 202933904 /nfs/dbraw/zinc/93/39/04/202933904.db2.gz VGJQDSJZWWZBOB-SJORKVTESA-N 2 0 344.459 0.845 10 0 ECAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000177687687 207375973 /nfs/dbraw/zinc/37/59/73/207375973.db2.gz MCAVJFWPEAWQRX-INIZCTEOSA-N 2 0 330.432 0.993 10 0 ECAERP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000248600867 165181430 /nfs/dbraw/zinc/18/14/30/165181430.db2.gz IZUWTKDBRBHXAE-CABCVRRESA-N 2 0 330.473 0.051 10 0 ECAERP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000249882129 165203400 /nfs/dbraw/zinc/20/34/00/165203400.db2.gz NUTZVSBFHJNTFM-ZIAGYGMSSA-N 2 0 334.420 0.802 10 0 ECAERP COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261703468 165229760 /nfs/dbraw/zinc/22/97/60/165229760.db2.gz CQJXXDBSXZYRPP-KDOFPFPSSA-N 2 0 349.479 0.965 10 0 ECAERP CCOCCN1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H]1CC ZINC000262228214 165312787 /nfs/dbraw/zinc/31/27/87/165312787.db2.gz VDPPOCUDICJMML-INIZCTEOSA-N 2 0 326.485 0.241 10 0 ECAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000262339074 165332261 /nfs/dbraw/zinc/33/22/61/165332261.db2.gz ZZWHDPPJMNGOFR-CHWSQXEVSA-N 2 0 336.440 0.017 10 0 ECAERP COC[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000262431886 165348110 /nfs/dbraw/zinc/34/81/10/165348110.db2.gz TVUNPBJMPQQQOO-ZIAGYGMSSA-N 2 0 334.420 0.296 10 0 ECAERP C[N@@H+](CC(=O)NC(N)=O)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862811 436581475 /nfs/dbraw/zinc/58/14/75/436581475.db2.gz DFSRTIBQPKOGOA-INIZCTEOSA-N 2 0 348.447 0.559 10 0 ECAERP CNC(=O)CN1CCC(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000157265176 436827137 /nfs/dbraw/zinc/82/71/37/436827137.db2.gz UJRAAMOJRXSNMF-HIFRSBDPSA-N 2 0 339.484 0.225 10 0 ECAERP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000274877045 436885815 /nfs/dbraw/zinc/88/58/15/436885815.db2.gz GSZIBHBDSNSHMY-CQSZACIVSA-N 2 0 332.452 0.676 10 0 ECAERP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263224116 436955172 /nfs/dbraw/zinc/95/51/72/436955172.db2.gz MNDCURCSJOYERP-NJZAAPMLSA-N 2 0 335.404 0.360 10 0 ECAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000662741462 439867721 /nfs/dbraw/zinc/86/77/21/439867721.db2.gz FTMFBENGOXYJRQ-KBAYOESNSA-N 2 0 330.476 0.774 10 0 ECAERP Cc1nn(C)cc1C(=O)N[C@@H]1CN(C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000169791087 609747335 /nfs/dbraw/zinc/74/73/35/609747335.db2.gz MOJIHZCDYKWENY-RHSMWYFYSA-N 2 0 349.479 0.499 10 0 ECAERP CC(C)[N@H+](C)CC(=O)N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000105818525 201060773 /nfs/dbraw/zinc/06/07/73/201060773.db2.gz YZIKRKZLKFRZBE-QGZVFWFLSA-N 2 0 340.512 0.580 10 0 ECAERP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)ncn1 ZINC000262492660 245001374 /nfs/dbraw/zinc/00/13/74/245001374.db2.gz ZSBVWJQOTUFFHA-IHRRRGAJSA-N 2 0 332.452 0.991 10 0 ECAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247071753 165153234 /nfs/dbraw/zinc/15/32/34/165153234.db2.gz GNMMSQRUZPZJPR-IRXDYDNUSA-N 2 0 338.496 0.239 10 0 ECAERP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000248600870 165181783 /nfs/dbraw/zinc/18/17/83/165181783.db2.gz IZUWTKDBRBHXAE-GJZGRUSLSA-N 2 0 330.473 0.051 10 0 ECAERP CN1CCC(CNC(=O)C2([NH3+])CCOCC2)([NH+]2CCCCC2)CC1 ZINC000261782362 165242315 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0.719 10 0 ECAERP C[C@@H]1C[NH+](CCCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000246939547 165147312 /nfs/dbraw/zinc/14/73/12/165147312.db2.gz CEZFMPLYWBICDX-OAGGEKHMSA-N 2 0 342.484 0.458 10 0 ECAERP COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261703473 165229705 /nfs/dbraw/zinc/22/97/05/165229705.db2.gz CQJXXDBSXZYRPP-KSSFIOAISA-N 2 0 349.479 0.965 10 0 ECAERP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261945655 165267403 /nfs/dbraw/zinc/26/74/03/165267403.db2.gz JSFTVKIRGOCNOB-MRXNPFEDSA-N 2 0 327.469 0.746 10 0 ECAERP O=C(CC[NH+]1CCN(C[C@H](O)c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000262267378 165320702 /nfs/dbraw/zinc/32/07/02/165320702.db2.gz YEEAPODZZDKGNI-SFHVURJKSA-N 2 0 346.475 0.160 10 0 ECAERP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247232529 278152535 /nfs/dbraw/zinc/15/25/35/278152535.db2.gz RIVJGWVGCBVAIG-ZMSDIMECSA-N 2 0 341.496 0.695 10 0 ECAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cn1 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ZINC000247165198 165155355 /nfs/dbraw/zinc/15/53/55/165155355.db2.gz MOIZWZFSRARXNA-GDBMZVCRSA-N 2 0 327.469 0.306 10 0 ECAERP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])COC)cc1 ZINC000262343589 165333121 /nfs/dbraw/zinc/33/31/21/165333121.db2.gz ICEGJJSRUNIJCI-OAHLLOKOSA-N 2 0 336.436 0.670 10 0 ECAERP CNc1nc(N2CCn3nc([C@H](O)C[NH+](C)C)cc3C2)cc(C)[nH+]1 ZINC000219762382 436697824 /nfs/dbraw/zinc/69/78/24/436697824.db2.gz OPLHASTVVJMWSO-CQSZACIVSA-N 2 0 331.424 0.638 10 0 ECAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)C1(C)C ZINC000249053252 436815067 /nfs/dbraw/zinc/81/50/67/436815067.db2.gz BWXCLUPBJQZFSN-FSZRXZPDSA-N 2 0 341.496 0.823 10 0 ECAERP CC[C@@H]1CN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C[C@H](C)O ZINC000248453940 436804105 /nfs/dbraw/zinc/80/41/05/436804105.db2.gz LOBVXRNAECEHEP-ARFHVFGLSA-N 2 0 338.496 0.957 10 0 ECAERP C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309690460 437169033 /nfs/dbraw/zinc/16/90/33/437169033.db2.gz 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[NH3+][C@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000262064398 295327560 /nfs/dbraw/zinc/32/75/60/295327560.db2.gz RWMBEVVDIHFAJK-ZBFHGGJFSA-N 2 0 325.453 0.311 10 0 ECAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)N2CCOCC2)CC1 ZINC000105862600 436581618 /nfs/dbraw/zinc/58/16/18/436581618.db2.gz RSAIVAZDHFUPSA-HNNXBMFYSA-N 2 0 327.469 0.260 10 0 ECAERP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106921922 436605898 /nfs/dbraw/zinc/60/58/98/436605898.db2.gz ZFMSXIDRYDYVAA-FUHWJXTLSA-N 2 0 332.492 0.911 10 0 ECAERP [NH3+]CCN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071746195 608643663 /nfs/dbraw/zinc/64/36/63/608643663.db2.gz GMNGJWUSKFWADU-KRWDZBQOSA-N 2 0 345.491 0.833 10 0 ECAERP C[NH+](C)CCNC(=O)[C@H]1C[N@H+](Cc2ccc[nH]2)CC12CCOCC2 ZINC000169792236 609747677 /nfs/dbraw/zinc/74/76/77/609747677.db2.gz GZZCOQBEHWVEKF-MRXNPFEDSA-N 2 0 334.464 0.921 10 0 ECAERP COC1CC[NH+](C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262069921 292168021 /nfs/dbraw/zinc/16/80/21/292168021.db2.gz BNACAFZLAQPMQL-UHFFFAOYSA-N 2 0 327.469 0.748 10 0 ECAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000248666388 165183563 /nfs/dbraw/zinc/18/35/63/165183563.db2.gz WQYGCIFOQCVANZ-BZUAXINKSA-N 2 0 342.484 0.194 10 0 ECAERP C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000193476030 263167273 /nfs/dbraw/zinc/16/72/73/263167273.db2.gz UOHYONYLJYJXSE-HOTGVXAUSA-N 2 0 326.485 0.864 10 0 ECAERP C[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)ccn1 ZINC000886062994 590788932 /nfs/dbraw/zinc/78/89/32/590788932.db2.gz QTASOUZMBZGCOU-HNNXBMFYSA-N 2 0 347.419 0.148 10 0 ECAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000111866384 220215248 /nfs/dbraw/zinc/21/52/48/220215248.db2.gz NVCIGXYFYROQAO-HOTGVXAUSA-N 2 0 342.484 0.243 10 0 ECAERP C[NH+](C)C[C@@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)CCO1 ZINC000117032679 221024837 /nfs/dbraw/zinc/02/48/37/221024837.db2.gz FUMBBEKFZDBEDP-OAHLLOKOSA-N 2 0 328.457 0.071 10 0 ECAERP CCC[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[NH+](C)C ZINC000119458352 221324649 /nfs/dbraw/zinc/32/46/49/221324649.db2.gz ULNPBLUHPDEIJM-CQSZACIVSA-N 2 0 338.456 0.230 10 0 ECAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000193122415 165053235 /nfs/dbraw/zinc/05/32/35/165053235.db2.gz POORAHLWGCFKNH-XHSDSOJGSA-N 2 0 327.469 0.617 10 0 ECAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NC[C@H]2CCCO2)CC1 ZINC000247232522 165158345 /nfs/dbraw/zinc/15/83/45/165158345.db2.gz RIVJGWVGCBVAIG-YQQAZPJKSA-N 2 0 341.496 0.695 10 0 ECAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000248666390 165183701 /nfs/dbraw/zinc/18/37/01/165183701.db2.gz WQYGCIFOQCVANZ-OWCLPIDISA-N 2 0 342.484 0.194 10 0 ECAERP C[C@@H](CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCOCC1 ZINC000248860672 165188537 /nfs/dbraw/zinc/18/85/37/165188537.db2.gz DINONVKTZOIQEI-HRCADAONSA-N 2 0 342.484 0.506 10 0 ECAERP [NH3+]CC1(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000262084396 165286992 /nfs/dbraw/zinc/28/69/92/165286992.db2.gz COTHAFSHPOBHKC-HNNXBMFYSA-N 2 0 325.453 0.313 10 0 ECAERP [NH3+]CC1(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCOCC1 ZINC000262137168 165298167 /nfs/dbraw/zinc/29/81/67/165298167.db2.gz GWQMCRHAMTUEKH-UHFFFAOYSA-N 2 0 325.453 0.503 10 0 ECAERP COC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000262431874 165348435 /nfs/dbraw/zinc/34/84/35/165348435.db2.gz TVUNPBJMPQQQOO-KBPBESRZSA-N 2 0 334.420 0.296 10 0 ECAERP CCC[NH+]1CCN(c2ccccc2CNC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263115242 276263084 /nfs/dbraw/zinc/26/30/84/276263084.db2.gz AOOQODYHHXLHLU-HKUYNNGSSA-N 2 0 332.492 0.889 10 0 ECAERP C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000113447818 278279081 /nfs/dbraw/zinc/27/90/81/278279081.db2.gz CXAQIRAXIWEQOO-FUHWJXTLSA-N 2 0 332.492 0.911 10 0 ECAERP CO[C@H]1C[C@@H](C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)[N@H+](C)C1 ZINC000345355202 298149463 /nfs/dbraw/zinc/14/94/63/298149463.db2.gz MQCGTKIBJFHMDS-IRXDYDNUSA-N 2 0 339.480 0.809 10 0 ECAERP O[C@@H](CN1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000069876949 435974874 /nfs/dbraw/zinc/97/48/74/435974874.db2.gz PBACCJZHGPFLSN-WOJBJXKFSA-N 2 0 344.503 0.950 10 0 ECAERP CC(=O)N[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000125237482 436765465 /nfs/dbraw/zinc/76/54/65/436765465.db2.gz SIYMXKKEIADWCY-GEWVGOBGSA-N 2 0 336.480 0.744 10 0 ECAERP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000246938027 436787458 /nfs/dbraw/zinc/78/74/58/436787458.db2.gz JVONCFRIHWBJDD-IKGGRYGDSA-N 2 0 337.512 0.748 10 0 ECAERP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000246938045 436787799 /nfs/dbraw/zinc/78/77/99/436787799.db2.gz JVONCFRIHWBJDD-ZACQAIPSSA-N 2 0 337.512 0.748 10 0 ECAERP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000248487771 436803765 /nfs/dbraw/zinc/80/37/65/436803765.db2.gz LZDLAILDZWVFBJ-QLFBSQMISA-N 2 0 326.485 0.956 10 0 ECAERP Cc1nn(C)c(C)c1CN1CC[NH+](CCCN2CCOCC2)CC1 ZINC000173685587 437059573 /nfs/dbraw/zinc/05/95/73/437059573.db2.gz XAODRGPCHPRRKQ-UHFFFAOYSA-N 2 0 335.496 0.877 10 0 ECAERP CC[C@H](O)CN1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000184833769 437413772 /nfs/dbraw/zinc/41/37/72/437413772.db2.gz NOHPQMXTBOCARB-INIZCTEOSA-N 2 0 326.485 0.816 10 0 ECAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[NH2+]CCOC1 ZINC000643790108 440316359 /nfs/dbraw/zinc/31/63/59/440316359.db2.gz RMIOGKMTCVRZGN-QZTJIDSGSA-N 2 0 347.459 0.630 10 0 ECAERP C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccc[nH]2)CC12CCOCC2 ZINC000169792235 609747546 /nfs/dbraw/zinc/74/75/46/609747546.db2.gz GZZCOQBEHWVEKF-INIZCTEOSA-N 2 0 334.464 0.921 10 0 ECAERP CS[C@@H]1CN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C[C@H]1[NH+](C)C ZINC000262851904 245213863 /nfs/dbraw/zinc/21/38/63/245213863.db2.gz VJCHGGBMRHVMBG-BPLDGKMQSA-N 2 0 337.493 0.925 10 0 ECAERP C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)ccn1 ZINC000153670451 224139498 /nfs/dbraw/zinc/13/94/98/224139498.db2.gz BESKBSXAPHSFMU-HNNXBMFYSA-N 2 0 335.452 0.868 10 0 ECAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000245472212 165107745 /nfs/dbraw/zinc/10/77/45/165107745.db2.gz OSVSWMDUHFMHQD-IRXDYDNUSA-N 2 0 339.528 0.996 10 0 ECAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261753938 165237635 /nfs/dbraw/zinc/23/76/35/165237635.db2.gz LICDTXSJAVEJOO-HZPDHXFCSA-N 2 0 327.469 0.700 10 0 ECAERP C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2noc(CN)n2)CC1 ZINC000262208513 165307899 /nfs/dbraw/zinc/30/78/99/165307899.db2.gz LGKIVHSBQWRGNU-GFCCVEGCSA-N 2 0 336.440 0.093 10 0 ECAERP CCC[C@H](C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)[NH+](C)C ZINC000152381495 436727426 /nfs/dbraw/zinc/72/74/26/436727426.db2.gz RAPFVMCTZPDSEP-OAHLLOKOSA-N 2 0 326.485 0.729 10 0 ECAERP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)CC[C@H](C)[NH3+])CC2)C1 ZINC000248855126 436812103 /nfs/dbraw/zinc/81/21/03/436812103.db2.gz KVDMIKKAWVJZII-HOTGVXAUSA-N 2 0 326.485 0.367 10 0 ECAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000249263585 165196719 /nfs/dbraw/zinc/19/67/19/165196719.db2.gz ZFQZBZPILIPARN-KGLIPLIRSA-N 2 0 348.451 0.078 10 0 ECAERP [NH3+][C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CCOCC1 ZINC000262098700 165291144 /nfs/dbraw/zinc/29/11/44/165291144.db2.gz UXRXZJFCMLLBIS-INIZCTEOSA-N 2 0 325.453 0.311 10 0 ECAERP [NH3+]Cc1cccc(CNCC(O)C[NH2+]Cc2cccc(C[NH3+])c2)c1 ZINC000033609609 436253828 /nfs/dbraw/zinc/25/38/28/436253828.db2.gz HVRVCYZDRAHSHG-UHFFFAOYSA-N 3 0 328.460 0.844 10 0 ECAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)NC(N)=O ZINC000105861492 436581255 /nfs/dbraw/zinc/58/12/55/436581255.db2.gz IEGKQLYPKBILJI-BBRMVZONSA-N 2 0 348.447 0.605 10 0 ECAERP CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+](C)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000248487772 436804201 /nfs/dbraw/zinc/80/42/01/436804201.db2.gz LZDLAILDZWVFBJ-RRFJBIMHSA-N 2 0 326.485 0.956 10 0 ECAERP CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+](C)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000248487773 436804681 /nfs/dbraw/zinc/80/46/81/436804681.db2.gz LZDLAILDZWVFBJ-SOUVJXGZSA-N 2 0 326.485 0.956 10 0 ECAERP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[NH2+]CCOC1 ZINC000643790109 440316767 /nfs/dbraw/zinc/31/67/67/440316767.db2.gz RMIOGKMTCVRZGN-ROUUACIJSA-N 2 0 347.459 0.630 10 0 ECAERP CC[NH+](CC)Cc1cnc2c(C(=O)NC[C@H]3CC[NH2+]C3)cnn2c1 ZINC000067473488 215151499 /nfs/dbraw/zinc/15/14/99/215151499.db2.gz XBAHOHJRSIONNI-ZDUSSCGKSA-N 2 0 330.436 0.910 10 0 ECAERP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1nnc(C)[nH]1)CC[NH+](C)CC2 ZINC000072439466 216233339 /nfs/dbraw/zinc/23/33/39/216233339.db2.gz NTWNLOCYYWQMGX-AWEZNQCLSA-N 2 0 334.468 0.926 10 0 ECAERP CC1(C)CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC[C@H]1[NH3+] ZINC000261624723 165217220 /nfs/dbraw/zinc/21/72/20/165217220.db2.gz DSLUZIACIPBRQE-OAHLLOKOSA-N 2 0 348.447 0.623 10 0 ECAERP [NH3+][C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000261804248 165246031 /nfs/dbraw/zinc/24/60/31/165246031.db2.gz HCFBNKLARSLFNR-MRXNPFEDSA-N 2 0 325.453 0.311 10 0 ECAERP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000261899108 165259679 /nfs/dbraw/zinc/25/96/79/165259679.db2.gz AECCFAHCTSXXHM-DOTOQJQBSA-N 2 0 335.448 0.717 10 0 ECAERP COC[C@@H](C)NC(=O)NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262247538 165316442 /nfs/dbraw/zinc/31/64/42/165316442.db2.gz PTGVKPUOIDDZFT-BMFZPTHFSA-N 2 0 348.447 0.521 10 0 ECAERP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000262287766 165323489 /nfs/dbraw/zinc/32/34/89/165323489.db2.gz OLOCAYDAKSFPIZ-JKSUJKDBSA-N 2 0 335.473 0.546 10 0 ECAERP CC[C@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000262387968 165342270 /nfs/dbraw/zinc/34/22/70/165342270.db2.gz XOSVFSIULIBJPN-CVEARBPZSA-N 2 0 349.479 0.265 10 0 ECAERP COC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000262483134 165355157 /nfs/dbraw/zinc/35/51/57/165355157.db2.gz ZUHBYLSKDBMCMK-INIZCTEOSA-N 2 0 348.447 0.339 10 0 ECAERP CC1CC[NH+](CCNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000192801676 263166052 /nfs/dbraw/zinc/16/60/52/263166052.db2.gz WDIISTGSFIOXBY-MRXNPFEDSA-N 2 0 326.485 0.864 10 0 ECAERP O=C(N1CCN(Cc2ccc(Cl)nc2)CC1)C12C[NH2+]CC1C[NH2+]C2 ZINC000065380828 436655390 /nfs/dbraw/zinc/65/53/90/436655390.db2.gz ZIUHYLGTEIHNME-UHFFFAOYSA-N 2 0 349.866 0.188 10 0 ECAERP C[NH+](C)CCOc1ccc(CCNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261903801 436893903 /nfs/dbraw/zinc/89/39/03/436893903.db2.gz SAIRIPFMYIDKGM-UHFFFAOYSA-N 2 0 335.448 0.794 10 0 ECAERP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172474423 437016241 /nfs/dbraw/zinc/01/62/41/437016241.db2.gz FDXLUTZVJFQMDO-DOTOQJQBSA-N 2 0 336.480 0.977 10 0 ECAERP C[NH+](C)CCN1C[C@H](C(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1=O ZINC000173722266 231014418 /nfs/dbraw/zinc/01/44/18/231014418.db2.gz WRISBQLFTUWIJG-IAGOWNOFSA-N 2 0 346.475 0.816 10 0 ECAERP Cc1cc[nH+]c(NCCNC(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c1 ZINC000072439461 216233603 /nfs/dbraw/zinc/23/36/03/216233603.db2.gz IYTOVSCRUQAANK-OAHLLOKOSA-N 3 0 331.464 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440316042 /nfs/dbraw/zinc/31/60/42/440316042.db2.gz RMIOGKMTCVRZGN-MSOLQXFVSA-N 2 0 347.459 0.630 10 0 ECAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)C1 ZINC000178884316 545880022 /nfs/dbraw/zinc/88/00/22/545880022.db2.gz OBTHXQDPTUUCMK-ZACQAIPSSA-N 2 0 338.496 0.367 10 0 ECAERP C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)ccn1 ZINC000153670561 224138964 /nfs/dbraw/zinc/13/89/64/224138964.db2.gz BESKBSXAPHSFMU-OAHLLOKOSA-N 2 0 335.452 0.868 10 0 ECAERP O[C@@H](CN1CC[NH+]2CCCC[C@@H]2C1)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248756370 165186187 /nfs/dbraw/zinc/18/61/87/165186187.db2.gz WSOWFTANSAIEOW-BWTSREIZSA-N 2 0 336.524 0.688 10 0 ECAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000248857360 165188320 /nfs/dbraw/zinc/18/83/20/165188320.db2.gz POORAHLWGCFKNH-ARFHVFGLSA-N 2 0 327.469 0.617 10 0 ECAERP CC(C)S(=O)(=O)CCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261872441 165256274 /nfs/dbraw/zinc/25/62/74/165256274.db2.gz LNCSCPXLOIPTDS-HUUCEWRRSA-N 2 0 345.509 0.390 10 0 ECAERP C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000262575180 165364852 /nfs/dbraw/zinc/36/48/52/165364852.db2.gz YBHUNADLTVEOFI-CYBMUJFWSA-N 2 0 327.450 0.787 10 0 ECAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCC3OCCO3)CC2)C1 ZINC000124178778 222387755 /nfs/dbraw/zinc/38/77/55/222387755.db2.gz SLTPNHBEGZZXJF-MRXNPFEDSA-N 2 0 327.469 0.476 10 0 ECAERP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCCN(c2ncccn2)CC1 ZINC000072171698 275003444 /nfs/dbraw/zinc/00/34/44/275003444.db2.gz RGFAQWGLETYQEI-HNNXBMFYSA-N 2 0 344.463 0.247 10 0 ECAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000176339607 279298331 /nfs/dbraw/zinc/29/83/31/279298331.db2.gz RAIHADYDVCLXFO-JKSUJKDBSA-N 2 0 325.501 0.748 10 0 ECAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000105915614 436585781 /nfs/dbraw/zinc/58/57/81/436585781.db2.gz MOIZWZFSRARXNA-ZBFHGGJFSA-N 2 0 327.469 0.306 10 0 ECAERP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000123214567 436739596 /nfs/dbraw/zinc/73/95/96/436739596.db2.gz IYZYGAGGTZEMRH-ZACQAIPSSA-N 2 0 339.528 0.898 10 0 ECAERP CC[C@H](O)CN1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000248461809 436804649 /nfs/dbraw/zinc/80/46/49/436804649.db2.gz VJRDUUUPJQAAEP-CVEARBPZSA-N 2 0 326.485 0.816 10 0 ECAERP C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@@H]1CCC[NH+](C)C1 ZINC000172583521 437021109 /nfs/dbraw/zinc/02/11/09/437021109.db2.gz FWEOBHWEYDZETB-CABCVRRESA-N 2 0 345.443 0.917 10 0 ECAERP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000171899999 436991078 /nfs/dbraw/zinc/99/10/78/436991078.db2.gz VIMWDINLELVVRF-IAGOWNOFSA-N 2 0 337.512 0.748 10 0 ECAERP CC[NH+](CC)Cc1cnc2c(C(=O)NC[C@@H]3CC[NH2+]C3)cnn2c1 ZINC000067473487 215151659 /nfs/dbraw/zinc/15/16/59/215151659.db2.gz XBAHOHJRSIONNI-CYBMUJFWSA-N 2 0 330.436 0.910 10 0 ECAERP Cc1ccnc(N2CCN(C3(C(=[NH2+])NO)CC[NH+](C)CC3)CC2)c1 ZINC000037408017 132394268 /nfs/dbraw/zinc/39/42/68/132394268.db2.gz SGAFYHBGRFBIRO-UHFFFAOYSA-N 2 0 332.452 0.932 10 0 ECAERP [NH3+]C1(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCOCC1 ZINC000261765741 165239574 /nfs/dbraw/zinc/23/95/74/165239574.db2.gz GEVDRABCEKKTNQ-UHFFFAOYSA-N 2 0 339.480 0.893 10 0 ECAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000248645763 436807114 /nfs/dbraw/zinc/80/71/14/436807114.db2.gz SKVWQSOJJFLVIK-CAOSSQGBSA-N 2 0 326.485 0.956 10 0 ECAERP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246691766 436783888 /nfs/dbraw/zinc/78/38/88/436783888.db2.gz FDXLUTZVJFQMDO-WBVHZDCISA-N 2 0 336.480 0.977 10 0 ECAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C[NH+]1CCN(C)CC1 ZINC000247242945 436791469 /nfs/dbraw/zinc/79/14/69/436791469.db2.gz YBCSUHUDIJMLJE-SJORKVTESA-N 2 0 337.512 0.750 10 0 ECAERP C(N1CC[NH+]2CCC[C@H]2C1)C1(CN2CC[N@@H+]3CCC[C@H]3C2)COC1 ZINC000248424220 436802285 /nfs/dbraw/zinc/80/22/85/436802285.db2.gz NJXDAFXSJUFRBC-ROUUACIJSA-N 2 0 334.508 0.563 10 0 ECAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000182441131 437350451 /nfs/dbraw/zinc/35/04/51/437350451.db2.gz VVELNNZTJOWEBK-MRXNPFEDSA-N 2 0 325.501 0.750 10 0 ECAERP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000900842828 586669251 /nfs/dbraw/zinc/66/92/51/586669251.db2.gz AKRVLCYGHKWIKE-IRXDYDNUSA-N 2 0 340.512 0.316 10 0 ECAERP C[NH2+]CC(=O)N1CCC2(C[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000169750493 609646399 /nfs/dbraw/zinc/64/63/99/609646399.db2.gz VTSWKMWUNASCLP-KRWDZBQOSA-N 2 0 331.460 0.939 10 0 ECAERP C[NH+](C)C[C@H]1CN(CCCCN2CCO[C@H](C[NH+](C)C)C2)CCO1 ZINC000158005498 282127854 /nfs/dbraw/zinc/12/78/54/282127854.db2.gz VZEAQQKBXBRQCI-HDICACEKSA-N 2 0 342.528 0.291 10 0 ECAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261804389 287085637 /nfs/dbraw/zinc/08/56/37/287085637.db2.gz HDPIKJOKJMFDKZ-CJNGLKHVSA-N 2 0 327.469 0.292 10 0 ECAERP COCCCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247436969 165163168 /nfs/dbraw/zinc/16/31/68/165163168.db2.gz ZHNXVJOGBFQHBV-LSDHHAIUSA-N 2 0 329.485 0.552 10 0 ECAERP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000261899130 165259348 /nfs/dbraw/zinc/25/93/48/165259348.db2.gz AECCFAHCTSXXHM-WBVHZDCISA-N 2 0 335.448 0.717 10 0 ECAERP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3NCCO[C@@H]3C)cn2)C[C@H](C)O1 ZINC000262057477 165281852 /nfs/dbraw/zinc/28/18/52/165281852.db2.gz AQXXXFIGJDRYGO-OEUWWYETSA-N 2 0 348.447 0.688 10 0 ECAERP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3C[NH2+]C3)c2)C1 ZINC000262157527 165301778 /nfs/dbraw/zinc/30/17/78/165301778.db2.gz ARXCNNJDBPFESY-OAHLLOKOSA-N 2 0 330.432 0.220 10 0 ECAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000262207558 165308425 /nfs/dbraw/zinc/30/84/25/165308425.db2.gz IQHDMJSHHNWQDB-JQHSSLGASA-N 2 0 345.491 0.913 10 0 ECAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262310278 165327473 /nfs/dbraw/zinc/32/74/73/165327473.db2.gz QIPPAWCCMVIGTD-LLLHUVSDSA-N 2 0 331.464 0.808 10 0 ECAERP CCC[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)[NH+](C)C ZINC000178662529 263154828 /nfs/dbraw/zinc/15/48/28/263154828.db2.gz SRLQENVDPVJADM-OAHLLOKOSA-N 2 0 326.485 0.633 10 0 ECAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)N2CCOCC2)CC1 ZINC000105862603 436581736 /nfs/dbraw/zinc/58/17/36/436581736.db2.gz RSAIVAZDHFUPSA-OAHLLOKOSA-N 2 0 327.469 0.260 10 0 ECAERP COCC[NH+]1CCC(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000195141580 436680654 /nfs/dbraw/zinc/68/06/54/436680654.db2.gz CRPASELAGDQLQF-INIZCTEOSA-N 2 0 342.484 0.243 10 0 ECAERP CNC(=O)CN1CCC(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000157265263 436826084 /nfs/dbraw/zinc/82/60/84/436826084.db2.gz UJRAAMOJRXSNMF-ZFWWWQNUSA-N 2 0 339.484 0.225 10 0 ECAERP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263251852 436957075 /nfs/dbraw/zinc/95/70/75/436957075.db2.gz QARZHCFFMBZYRV-AAEUAGOBSA-N 2 0 334.372 0.898 10 0 ECAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCO[C@H](C)C2)CC1 ZINC000247389043 612910753 /nfs/dbraw/zinc/91/07/53/612910753.db2.gz WXBUWDLSBPZOTI-LSDHHAIUSA-N 2 0 327.469 0.258 10 0 ECAERP O=C1CCCN1C[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000111684015 220178662 /nfs/dbraw/zinc/17/86/62/220178662.db2.gz ONLPDUJKUBNQTI-INIZCTEOSA-N 2 0 325.453 0.014 10 0 ECAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H]1C ZINC000248645765 165182173 /nfs/dbraw/zinc/18/21/73/165182173.db2.gz SKVWQSOJJFLVIK-JONQDZQNSA-N 2 0 326.485 0.956 10 0 ECAERP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000261899122 165260027 /nfs/dbraw/zinc/26/00/27/165260027.db2.gz AECCFAHCTSXXHM-RDJZCZTQSA-N 2 0 335.448 0.717 10 0 ECAERP C[C@@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)N1CCOCC1 ZINC000153463603 436756681 /nfs/dbraw/zinc/75/66/81/436756681.db2.gz KHBAWWCEHJDAAG-HNNXBMFYSA-N 2 0 342.484 0.195 10 0 ECAERP CC[C@@H]1CN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000248453941 436803259 /nfs/dbraw/zinc/80/32/59/436803259.db2.gz LOBVXRNAECEHEP-BZUAXINKSA-N 2 0 338.496 0.957 10 0 ECAERP CN1CCC([NH+]2CCC(NC(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000170835537 436954449 /nfs/dbraw/zinc/95/44/49/436954449.db2.gz LQQSAPYSRNULJX-QGZVFWFLSA-N 2 0 337.512 0.891 10 0 ECAERP CN1CC[NH2+]C[C@H]1c1noc(-c2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000263216311 436955242 /nfs/dbraw/zinc/95/52/42/436955242.db2.gz KYRRMMYKNSVDHW-AWEZNQCLSA-N 2 0 343.435 0.460 10 0 ECAERP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1nnc(C)[nH]1)CC[NH+](C)CC2 ZINC000072439463 216233960 /nfs/dbraw/zinc/23/39/60/216233960.db2.gz NTWNLOCYYWQMGX-CQSZACIVSA-N 2 0 334.468 0.926 10 0 ECAERP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCCN(c2ncccn2)CC1 ZINC000072171699 284545333 /nfs/dbraw/zinc/54/53/33/284545333.db2.gz RGFAQWGLETYQEI-OAHLLOKOSA-N 2 0 344.463 0.247 10 0 ECAERP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516265 165085500 /nfs/dbraw/zinc/08/55/00/165085500.db2.gz NUTZVSBFHJNTFM-KBPBESRZSA-N 2 0 334.420 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ZINC000262259002 165318457 /nfs/dbraw/zinc/31/84/57/165318457.db2.gz JHJWOBZTNJGSQB-CYBMUJFWSA-N 2 0 325.409 0.226 10 0 ECAERP NS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000262471405 165353680 /nfs/dbraw/zinc/35/36/80/165353680.db2.gz JGWJJXXZGFZGRQ-TUKIKUTGSA-N 2 0 325.434 0.382 10 0 ECAERP C[NH+](C)CCN1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105112135 436570073 /nfs/dbraw/zinc/57/00/73/436570073.db2.gz GHOKTZFUJKDKED-QGZVFWFLSA-N 2 0 337.512 0.892 10 0 ECAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106534880 436598631 /nfs/dbraw/zinc/59/86/31/436598631.db2.gz OVMVUIIPGFQDKB-HZPDHXFCSA-N 2 0 327.517 0.898 10 0 ECAERP CCS(=O)(=O)NCCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000132593854 436867679 /nfs/dbraw/zinc/86/76/79/436867679.db2.gz RXTZWYUAVZGQFC-AWEZNQCLSA-N 2 0 335.514 0.340 10 0 ECAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+]3CCC[C@@H]3C2)CC1=O ZINC000171880576 436991407 /nfs/dbraw/zinc/99/14/07/436991407.db2.gz GNSCVWFGPDHEFL-BRWVUGGUSA-N 2 0 348.491 0.626 10 0 ECAERP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000173919284 437068195 /nfs/dbraw/zinc/06/81/95/437068195.db2.gz NPZQIKGPCRFMFS-CQSZACIVSA-N 2 0 338.456 0.413 10 0 ECAERP C[NH+](C)CCn1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000173919274 437069430 /nfs/dbraw/zinc/06/94/30/437069430.db2.gz NPZQIKGPCRFMFS-AWEZNQCLSA-N 2 0 338.456 0.413 10 0 ECAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000177687674 437197116 /nfs/dbraw/zinc/19/71/16/437197116.db2.gz MCAVJFWPEAWQRX-MRXNPFEDSA-N 2 0 330.432 0.993 10 0 ECAERP Cc1ccc(N2CCCN(CC(=O)N3CCN(C)CC3)CC2)nn1 ZINC000180475700 437292090 /nfs/dbraw/zinc/29/20/90/437292090.db2.gz GOMGAWCWVWLPJR-UHFFFAOYSA-N 2 0 332.452 0.071 10 0 ECAERP C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CC12CCOCC2 ZINC000169792443 609747645 /nfs/dbraw/zinc/74/76/45/609747645.db2.gz BRQQRUZSUXJFPK-KRWDZBQOSA-N 2 0 346.475 0.988 10 0 ECAERP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1=O ZINC000173722281 231014682 /nfs/dbraw/zinc/01/46/82/231014682.db2.gz WRISBQLFTUWIJG-DLBZAZTESA-N 2 0 346.475 0.816 10 0 ECAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC[C@H]2CCCO2)CC1 ZINC000247165219 165156264 /nfs/dbraw/zinc/15/62/64/165156264.db2.gz MOIZWZFSRARXNA-GOEBONIOSA-N 2 0 327.469 0.306 10 0 ECAERP O=S(=O)(N1CC[NH+](CC2CC[NH2+]CC2)CC1)N1CCCCCC1 ZINC000261879031 165257172 /nfs/dbraw/zinc/25/71/72/165257172.db2.gz YHUQNFNKASDGQP-UHFFFAOYSA-N 2 0 344.525 0.724 10 0 ECAERP O=C(NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261926902 165263188 /nfs/dbraw/zinc/26/31/88/165263188.db2.gz VTCOFGXJACGJEL-CWRNSKLLSA-N 2 0 334.464 0.330 10 0 ECAERP CCC[NH+]1CCN(c2ccccc2CNC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263115252 278825855 /nfs/dbraw/zinc/82/58/55/278825855.db2.gz AOOQODYHHXLHLU-PKOBYXMFSA-N 2 0 332.492 0.889 10 0 ECAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000173914251 279358626 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165287501 /nfs/dbraw/zinc/28/75/01/165287501.db2.gz CMTALYGEDJPWAU-AEFFLSMTSA-N 2 0 346.475 0.204 10 0 ECAERP O=C(CC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000262267377 165320183 /nfs/dbraw/zinc/32/01/83/165320183.db2.gz YEEAPODZZDKGNI-GOSISDBHSA-N 2 0 346.475 0.160 10 0 ECAERP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000262339079 165332789 /nfs/dbraw/zinc/33/27/89/165332789.db2.gz ZZWHDPPJMNGOFR-STQMWFEESA-N 2 0 336.440 0.017 10 0 ECAERP O[C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000069876942 435973960 /nfs/dbraw/zinc/97/39/60/435973960.db2.gz PBACCJZHGPFLSN-UXHICEINSA-N 2 0 344.503 0.950 10 0 ECAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCO1 ZINC000116782923 436651336 /nfs/dbraw/zinc/65/13/36/436651336.db2.gz PCJLWBVBTNFKKN-MRXNPFEDSA-N 2 0 347.463 0.236 10 0 ECAERP Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)C3)CC1 ZINC000067654562 302386674 /nfs/dbraw/zinc/38/66/74/302386674.db2.gz FWYWJAHRQFBZPA-VQIMIIECSA-N 3 0 343.475 0.580 10 0 ECAERP C[NH+]1CCC(CCNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000171379948 436977976 /nfs/dbraw/zinc/97/79/76/436977976.db2.gz BHNBGQKIHRXUAM-MRXNPFEDSA-N 2 0 326.485 0.864 10 0 ECAERP CCN1CCO[C@H](C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)C1 ZINC000173418494 437049148 /nfs/dbraw/zinc/04/91/48/437049148.db2.gz FVTUSFLHTIZHMD-KBPBESRZSA-N 2 0 348.451 0.324 10 0 ECAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCN(C)CC1 ZINC000173505426 437053729 /nfs/dbraw/zinc/05/37/29/437053729.db2.gz YBCSUHUDIJMLJE-IAGOWNOFSA-N 2 0 337.512 0.750 10 0 ECAERP C[C@@H]1CN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000341629831 437875480 /nfs/dbraw/zinc/87/54/80/437875480.db2.gz GDBXVCIEBSLJJU-ILXRZTDVSA-N 2 0 326.485 0.956 10 0 ECAERP C[N@@H+]1CC2(C[C@H]1C(=O)NCc1cn3c(n1)SCC3)CC[NH2+]CC2 ZINC000072468840 216249252 /nfs/dbraw/zinc/24/92/52/216249252.db2.gz DMLRCVWSMOCXMR-ZDUSSCGKSA-N 2 0 335.477 0.679 10 0 ECAERP C[C@@H]1C[NH+](CCCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000117029313 221024233 /nfs/dbraw/zinc/02/42/33/221024233.db2.gz CEZFMPLYWBICDX-BZUAXINKSA-N 2 0 342.484 0.458 10 0 ECAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)C1 ZINC000262027333 165278771 /nfs/dbraw/zinc/27/87/71/165278771.db2.gz BBXFDXIFTCKXKT-WBVHZDCISA-N 2 0 338.496 0.095 10 0 ECAERP COc1ccc(OC)c(CN2CCN(Cc3noc(CN)n3)CC2)c1 ZINC000262212057 165308289 /nfs/dbraw/zinc/30/82/89/165308289.db2.gz LPXVSFMLLNVBOC-UHFFFAOYSA-N 2 0 347.419 0.863 10 0 ECAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccn(CC[NH+](C)C)n2)cn1 ZINC000262207553 165309026 /nfs/dbraw/zinc/30/90/26/165309026.db2.gz IQEAWBBIJIYOAK-KGLIPLIRSA-N 2 0 331.424 0.120 10 0 ECAERP C[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000262272044 165320533 /nfs/dbraw/zinc/32/05/33/165320533.db2.gz NBHCZWOZCAUPIH-PBHICJAKSA-N 2 0 333.432 0.512 10 0 ECAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)NC(N)=O ZINC000105861495 274246381 /nfs/dbraw/zinc/24/63/81/274246381.db2.gz IEGKQLYPKBILJI-CJNGLKHVSA-N 2 0 348.447 0.605 10 0 ECAERP COCC[NH+]1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000195141739 436681177 /nfs/dbraw/zinc/68/11/77/436681177.db2.gz CRPASELAGDQLQF-MRXNPFEDSA-N 2 0 342.484 0.243 10 0 ECAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)COC2CCOCC2)CC1 ZINC000127505713 436803996 /nfs/dbraw/zinc/80/39/96/436803996.db2.gz YQIXAKOYDVNXMF-WBVHZDCISA-N 2 0 344.496 0.568 10 0 ECAERP CC[C@H]1CN(C(=O)NCC[NH+](CC)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000185035923 437422828 /nfs/dbraw/zinc/42/28/28/437422828.db2.gz HKIXSBDPRGZTQU-CABCVRRESA-N 2 0 326.485 0.957 10 0 ECAERP O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072159355 216049200 /nfs/dbraw/zinc/04/92/00/216049200.db2.gz SDUXPTSFWUXVAV-CQSZACIVSA-N 2 0 341.415 0.271 10 0 ECAERP O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072159354 216049473 /nfs/dbraw/zinc/04/94/73/216049473.db2.gz SDUXPTSFWUXVAV-AWEZNQCLSA-N 2 0 341.415 0.271 10 0 ECAERP [NH3+]C[C@H]1CN(c2nc(-c3ccccc3)nc3c2CC[NH2+]CC3)CCO1 ZINC000072428037 216219420 /nfs/dbraw/zinc/21/94/20/216219420.db2.gz AAQXVYKXXFJUEB-HNNXBMFYSA-N 2 0 339.443 0.996 10 0 ECAERP CN(CCN1CCN(c2ccccc2)CC1)C(=O)C1([NH3+])CCOCC1 ZINC000261698401 165228608 /nfs/dbraw/zinc/22/86/08/165228608.db2.gz DPEBOHVPLAIIPF-UHFFFAOYSA-N 2 0 346.475 0.775 10 0 ECAERP C[NH+]1CCN(c2cc(CNC(=O)[C@H]([NH3+])C3CCOCC3)ccn2)CC1 ZINC000261724857 165234122 /nfs/dbraw/zinc/23/41/22/165234122.db2.gz JOIFORBBDBJRQM-QGZVFWFLSA-N 2 0 347.463 0.204 10 0 ECAERP CC(C)S(=O)(=O)CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261872440 165254526 /nfs/dbraw/zinc/25/45/26/165254526.db2.gz LNCSCPXLOIPTDS-GJZGRUSLSA-N 2 0 345.509 0.390 10 0 ECAERP CCOCCN1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1CC ZINC000262228215 165311752 /nfs/dbraw/zinc/31/17/52/165311752.db2.gz VDPPOCUDICJMML-MRXNPFEDSA-N 2 0 326.485 0.241 10 0 ECAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)NC(N)=O ZINC000105861498 274511752 /nfs/dbraw/zinc/51/17/52/274511752.db2.gz IEGKQLYPKBILJI-XJKSGUPXSA-N 2 0 348.447 0.605 10 0 ECAERP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247232513 289355360 /nfs/dbraw/zinc/35/53/60/289355360.db2.gz RIVJGWVGCBVAIG-UXLLHSPISA-N 2 0 341.496 0.695 10 0 ECAERP [NH3+]CCCCCCCCCCCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO ZINC000044960154 436356545 /nfs/dbraw/zinc/35/65/45/436356545.db2.gz XUKDCKJRAWVROB-WNRNVDISSA-N 2 0 346.512 0.605 10 0 in-vitro ECAERP Cn1ccnc1C[C@H]1CCCN(C(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000138977887 436663279 /nfs/dbraw/zinc/66/32/79/436663279.db2.gz CYJCRWIEGKUNQH-CABCVRRESA-N 2 0 335.452 0.715 10 0 ECAERP CN1CCN(c2cc(N3CC[N@@H+]4CCCC[C@@H]4C3)ncn2)CC1=O ZINC000274330962 436816896 /nfs/dbraw/zinc/81/68/96/436816896.db2.gz FXIRODUJECYRHA-CQSZACIVSA-N 2 0 330.436 0.430 10 0 ECAERP C[NH+]1CCN(Cc2cccc(NC(=O)C3([NH3+])CCOCC3)c2)CC1 ZINC000261902289 436894817 /nfs/dbraw/zinc/89/48/17/436894817.db2.gz RSEZNYAFTAWALF-UHFFFAOYSA-N 2 0 332.448 0.880 10 0 ECAERP CC[C@@H](C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC000164200720 436930482 /nfs/dbraw/zinc/93/04/82/436930482.db2.gz HXQYOBQNDOXDLZ-IRXDYDNUSA-N 2 0 340.512 0.580 10 0 ECAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171642912 436984035 /nfs/dbraw/zinc/98/40/35/436984035.db2.gz GNMMSQRUZPZJPR-SJORKVTESA-N 2 0 338.496 0.239 10 0 ECAERP COC[C@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000262232009 285386340 /nfs/dbraw/zinc/38/63/40/285386340.db2.gz GYIMTCQOHXNOKY-DOMZBBRYSA-N 2 0 338.427 0.728 10 0 ECAERP COc1ccccc1CN1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261934907 165265878 /nfs/dbraw/zinc/26/58/78/165265878.db2.gz WRMBPFTWPGVSJX-UHFFFAOYSA-N 2 0 333.432 0.847 10 0 ECAERP COC[C@H]([NH3+])C(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000262245404 165315845 /nfs/dbraw/zinc/31/58/45/165315845.db2.gz ICBGQXNSZUXPGW-INIZCTEOSA-N 2 0 337.420 0.322 10 0 ECAERP NS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262471389 165354059 /nfs/dbraw/zinc/35/40/59/165354059.db2.gz JGWJJXXZGFZGRQ-NILFDRSVSA-N 2 0 325.434 0.382 10 0 ECAERP CNC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000096112960 436513331 /nfs/dbraw/zinc/51/33/31/436513331.db2.gz AKVUCMLPYGXFFB-LSDHHAIUSA-N 2 0 326.485 0.632 10 0 ECAERP CC(C)[N@H+](C)CC(=O)N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000105818530 436579705 /nfs/dbraw/zinc/57/97/05/436579705.db2.gz YZIKRKZLKFRZBE-KRWDZBQOSA-N 2 0 340.512 0.580 10 0 ECAERP CC[N@@H+]1CCC[C@H]1CN(C)c1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000274877043 436886205 /nfs/dbraw/zinc/88/62/05/436886205.db2.gz GSZIBHBDSNSHMY-AWEZNQCLSA-N 2 0 332.452 0.676 10 0 ECAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000176410281 437142290 /nfs/dbraw/zinc/14/22/90/437142290.db2.gz OSVSWMDUHFMHQD-SJORKVTESA-N 2 0 339.528 0.996 10 0 ECAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000309690454 437170987 /nfs/dbraw/zinc/17/09/87/437170987.db2.gz CSFSQTUMEWJMJB-GOEBONIOSA-N 2 0 341.477 0.415 10 0 ECAERP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)nc1 ZINC000188900381 437574059 /nfs/dbraw/zinc/57/40/59/437574059.db2.gz ZXWONFBYDRZBKO-LSDHHAIUSA-N 2 0 335.427 0.492 10 0 ECAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000171588638 609762283 /nfs/dbraw/zinc/76/22/83/609762283.db2.gz WXBUWDLSBPZOTI-CABCVRRESA-N 2 0 327.469 0.258 10 0 ECAERP NC(=O)[C@@H]1CCCN(C(=O)CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261635890 165219208 /nfs/dbraw/zinc/21/92/08/165219208.db2.gz FGQIKWQOKDZKMY-ZACQAIPSSA-N 2 0 344.459 0.385 10 0 ECAERP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261877297 165257755 /nfs/dbraw/zinc/25/77/55/165257755.db2.gz YNKIXXPZDFIDID-IAGOWNOFSA-N 2 0 346.475 0.969 10 0 ECAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000261995699 165274174 /nfs/dbraw/zinc/27/41/74/165274174.db2.gz NRJIVMNOZPAVDA-ZBFHGGJFSA-N 2 0 327.469 0.306 10 0 ECAERP COc1c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(C)nn1C ZINC000262256371 165318552 /nfs/dbraw/zinc/31/85/52/165318552.db2.gz QOHQORZWCVROQI-HOCLYGCPSA-N 2 0 349.479 0.817 10 0 ECAERP COC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262285201 165322241 /nfs/dbraw/zinc/32/22/41/165322241.db2.gz MHMLKSDLPACOPH-HIFRSBDPSA-N 2 0 334.420 0.296 10 0 ECAERP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]([NH3+])COC)cc1 ZINC000262343587 165333547 /nfs/dbraw/zinc/33/35/47/165333547.db2.gz ICEGJJSRUNIJCI-HNNXBMFYSA-N 2 0 336.436 0.670 10 0 ECAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000105862556 290084970 /nfs/dbraw/zinc/08/49/70/290084970.db2.gz KLXUWMFRVXXNRA-ZDUSSCGKSA-N 2 0 340.468 0.341 10 0 ECAERP C[NH+](C)[C@H]1CCN(C(=O)CSCC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000105600188 436575762 /nfs/dbraw/zinc/57/57/62/436575762.db2.gz UPCRSMRMWGAZHS-KBPBESRZSA-N 2 0 342.509 0.045 10 0 ECAERP CC(C)[N@@H+]1C[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000123214790 436738269 /nfs/dbraw/zinc/73/82/69/436738269.db2.gz IYZYGAGGTZEMRH-IKGGRYGDSA-N 2 0 339.528 0.898 10 0 ECAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H]1C ZINC000248645767 436808279 /nfs/dbraw/zinc/80/82/79/436808279.db2.gz SKVWQSOJJFLVIK-QKPAOTATSA-N 2 0 326.485 0.956 10 0 ECAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)C1(C)C ZINC000249053248 436816031 /nfs/dbraw/zinc/81/60/31/436816031.db2.gz BWXCLUPBJQZFSN-BORJPKMPSA-N 2 0 341.496 0.823 10 0 ECAERP CC[C@H]1CN(C(=O)NCC[NH+](CC)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000248448238 436803518 /nfs/dbraw/zinc/80/35/18/436803518.db2.gz HKIXSBDPRGZTQU-GJZGRUSLSA-N 2 0 326.485 0.957 10 0 ECAERP Cn1ccnc1CN(C(=O)[C@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000262001123 436900129 /nfs/dbraw/zinc/90/01/29/436900129.db2.gz PUVHHFPXUAQGAY-GJZGRUSLSA-N 2 0 331.464 0.890 10 0 ECAERP CN(c1ccccc1CNC[C@@H]1C[NH2+]C[C@H]1O)C1CC[NH+](C)CC1 ZINC000263146606 436951809 /nfs/dbraw/zinc/95/18/09/436951809.db2.gz CSRZUXPFYIRUAW-VQIMIIECSA-N 2 0 332.492 0.887 10 0 ECAERP CNC(=O)[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000184624838 437408742 /nfs/dbraw/zinc/40/87/42/437408742.db2.gz OMXRNSMLQPOEBV-DOTOQJQBSA-N 2 0 334.464 0.766 10 0 ECAERP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[NH2+]CCOC1 ZINC000649349023 440479615 /nfs/dbraw/zinc/47/96/15/440479615.db2.gz SPMNIUCSMDHWHT-GOSISDBHSA-N 2 0 346.475 0.156 10 0 ECAERP O=c1[nH]c(NC2CC[NH+](Cc3cccnc3)CC2)nc2c1CC[NH2+]C2 ZINC000082097561 612310379 /nfs/dbraw/zinc/31/03/79/612310379.db2.gz HMIKIZSFZKJVCG-UHFFFAOYSA-N 2 0 340.431 0.887 10 0 ECAERP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516266 165085367 /nfs/dbraw/zinc/08/53/67/165085367.db2.gz NUTZVSBFHJNTFM-UONOGXRCSA-N 2 0 334.420 0.802 10 0 ECAERP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261872825 165254908 /nfs/dbraw/zinc/25/49/08/165254908.db2.gz TWZBTZAEMRWSRT-OAHLLOKOSA-N 2 0 327.469 0.746 10 0 ECAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000262121193 165294585 /nfs/dbraw/zinc/29/45/85/165294585.db2.gz FWJSHPMNEPZXOF-OIISXLGYSA-N 2 0 331.464 0.667 10 0 ECAERP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]([NH3+])COC)c1 ZINC000262467661 165353421 /nfs/dbraw/zinc/35/34/21/165353421.db2.gz XYVYKACEIMUIAX-OAHLLOKOSA-N 2 0 336.436 0.670 10 0 ECAERP NS(=O)(=O)c1ccc(OCC[N@H+]2C[C@@H]3[C@H]([NH3+])CC[C@@H]3C2)cc1 ZINC000262471344 165353628 /nfs/dbraw/zinc/35/36/28/165353628.db2.gz JGWJJXXZGFZGRQ-BYCMXARLSA-N 2 0 325.434 0.382 10 0 ECAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cn1 ZINC000262138749 294300895 /nfs/dbraw/zinc/30/08/95/294300895.db2.gz GZROUIVHPWLYFB-ZACQAIPSSA-N 2 0 331.464 0.810 10 0 ECAERP CC[C@H](O)CN1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000136843216 436653458 /nfs/dbraw/zinc/65/34/58/436653458.db2.gz XFFOHFVJFUIFCL-AWEZNQCLSA-N 2 0 338.456 0.365 10 0 ECAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000150750702 436689080 /nfs/dbraw/zinc/68/90/80/436689080.db2.gz SQNNXJJZFOTJOM-HZPDHXFCSA-N 2 0 326.485 0.936 10 0 ECAERP C[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccc(-n3cccn3)c1)[NH2+][C@]2(CO)CCO ZINC000065452966 436663672 /nfs/dbraw/zinc/66/36/72/436663672.db2.gz LRYNCLYTISMQDN-HCXYKTFWSA-N 2 0 342.443 0.808 10 0 ECAERP C[NH+](C)[C@@H]1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000170834709 436954306 /nfs/dbraw/zinc/95/43/06/436954306.db2.gz BJNSMMXYALINHH-MRXNPFEDSA-N 2 0 346.479 0.679 10 0 ECAERP CC[C@H]1CN(C(=O)NCC[NH+](C)CCOC)CC[N@@H+]1C[C@@H](C)O ZINC000185048280 437421877 /nfs/dbraw/zinc/42/18/77/437421877.db2.gz BOVBDDBFWPGHIV-CABCVRRESA-N 2 0 330.473 0.051 10 0 ECAERP COCCC[NH+]1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000117044086 292348698 /nfs/dbraw/zinc/34/86/98/292348698.db2.gz JKGLRQBUNSGGGD-INIZCTEOSA-N 2 0 342.484 0.459 10 0 ECAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000246332796 165131306 /nfs/dbraw/zinc/13/13/06/165131306.db2.gz OMAWSDZHMLJYCW-BRWVUGGUSA-N 2 0 337.512 0.891 10 0 ECAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cn2)CC1 ZINC000261747341 165237256 /nfs/dbraw/zinc/23/72/56/165237256.db2.gz KYCZIVVFQHTBPL-CVEARBPZSA-N 2 0 347.463 0.346 10 0 ECAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261753937 165238333 /nfs/dbraw/zinc/23/83/33/165238333.db2.gz LICDTXSJAVEJOO-HOTGVXAUSA-N 2 0 327.469 0.700 10 0 ECAERP C[C@@H](C(=O)NCc1cccc(OCCN2CCOCC2)c1)C1C[NH2+]C1 ZINC000262411538 165346359 /nfs/dbraw/zinc/34/63/59/165346359.db2.gz QQDPHBHRQQYOCG-OAHLLOKOSA-N 2 0 347.459 0.869 10 0 ECAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000262514294 165358004 /nfs/dbraw/zinc/35/80/04/165358004.db2.gz QBTPVINJYZKBNQ-ZWNOBZJWSA-N 2 0 328.438 0.236 10 0 ECAERP C[C@@H]1C(=O)NCCC[N@H+]1CCCCCC[NH+]1CCCNC(=O)[C@@H]1C ZINC000189262804 287179501 /nfs/dbraw/zinc/17/95/01/287179501.db2.gz VUXFRGOAOBUFOK-IYBDPMFKSA-N 2 0 338.496 0.968 10 0 ECAERP C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000341629837 437876224 /nfs/dbraw/zinc/87/62/24/437876224.db2.gz GDBXVCIEBSLJJU-QLFBSQMISA-N 2 0 326.485 0.956 10 0 ECAERP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)CC[C@@H](C)[NH3+])CC2)C1 ZINC000193323692 535213220 /nfs/dbraw/zinc/21/32/20/535213220.db2.gz KVDMIKKAWVJZII-CVEARBPZSA-N 2 0 326.485 0.367 10 0 ECAERP COCC[N@H+]1[C@H](C)CN(C(=O)NC[C@@H](C)N2CCOCC2)C[C@@H]1C ZINC000121629616 589788866 /nfs/dbraw/zinc/78/88/66/589788866.db2.gz JPISNIJTMIZWGD-OAGGEKHMSA-N 2 0 342.484 0.458 10 0 ECAERP C[NH+](C)C[C@@H]1CCN(CC2(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)COC2)C1 ZINC000248436937 165175435 /nfs/dbraw/zinc/17/54/35/165175435.db2.gz SGRQQHGMVZQEMY-ROUUACIJSA-N 3 0 338.540 0.770 10 0 ECAERP CC1(C)CN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000261641374 165219049 /nfs/dbraw/zinc/21/90/49/165219049.db2.gz GIAIUZXPNQOVMV-INIZCTEOSA-N 2 0 346.475 0.950 10 0 ECAERP O=C(NC[C@@H]1CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261926906 165263989 /nfs/dbraw/zinc/26/39/89/165263989.db2.gz VTCOFGXJACGJEL-IMJJTQAJSA-N 2 0 334.464 0.330 10 0 ECAERP Cc1ccc(N(C)C2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)nn1 ZINC000262089900 165289427 /nfs/dbraw/zinc/28/94/27/165289427.db2.gz LJBYJXVAKKEPPG-UHFFFAOYSA-N 2 0 346.479 0.508 10 0 ECAERP C[C@@H](C(=O)NCc1ccccc1OCCN1CCOCC1)C1C[NH2+]C1 ZINC000262331674 165331340 /nfs/dbraw/zinc/33/13/40/165331340.db2.gz GUNWTZRUSWDVES-OAHLLOKOSA-N 2 0 347.459 0.869 10 0 ECAERP COC[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262450189 165351797 /nfs/dbraw/zinc/35/17/97/165351797.db2.gz VUFYWVXZXJIJMW-MRXNPFEDSA-N 2 0 348.447 0.102 10 0 ECAERP CN(CCC[NH+]1CCCC1)C(=O)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000065407961 436660249 /nfs/dbraw/zinc/66/02/49/436660249.db2.gz RVUVDLVEZIVPQP-HNNXBMFYSA-N 2 0 334.468 0.836 10 0 ECAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000150750716 436688706 /nfs/dbraw/zinc/68/87/06/436688706.db2.gz SQNNXJJZFOTJOM-JKSUJKDBSA-N 2 0 326.485 0.936 10 0 ECAERP Cn1ccnc1C[C@@H]1CCCN(C(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000138977551 436662318 /nfs/dbraw/zinc/66/23/18/436662318.db2.gz CYJCRWIEGKUNQH-LSDHHAIUSA-N 2 0 335.452 0.715 10 0 ECAERP CCN(C)C(=O)CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000130351342 436837362 /nfs/dbraw/zinc/83/73/62/436837362.db2.gz OXKQGDOWRBAIFF-QGZVFWFLSA-N 2 0 340.512 0.582 10 0 ECAERP Cc1nc2c(cnn2C)c(N2CC[NH+](CC3CC[NH2+]CC3)CC2)n1 ZINC000178981269 437245940 /nfs/dbraw/zinc/24/59/40/437245940.db2.gz XOLGJHBCRKZMSM-UHFFFAOYSA-N 2 0 329.452 0.793 10 0 ECAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000119420391 221316161 /nfs/dbraw/zinc/31/61/61/221316161.db2.gz SSNBJMZSSMMJAI-JKSUJKDBSA-N 2 0 338.496 0.633 10 0 ECAERP O[C@H](CN1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000241588228 258000789 /nfs/dbraw/zinc/00/07/89/258000789.db2.gz PBACCJZHGPFLSN-PMACEKPBSA-N 2 0 344.503 0.950 10 0 ECAERP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000246939564 165148558 /nfs/dbraw/zinc/14/85/58/165148558.db2.gz CEZFMPLYWBICDX-XHSDSOJGSA-N 2 0 342.484 0.458 10 0 ECAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000248666389 165184459 /nfs/dbraw/zinc/18/44/59/165184459.db2.gz WQYGCIFOQCVANZ-HRCADAONSA-N 2 0 342.484 0.194 10 0 ECAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000262090178 165289474 /nfs/dbraw/zinc/28/94/74/165289474.db2.gz UKJVESZTCRCKAK-VQHPVUNQSA-N 2 0 338.496 0.510 10 0 ECAERP CCC[NH+]1CCC(CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000262304933 165325558 /nfs/dbraw/zinc/32/55/58/165325558.db2.gz PXUIMRMKQHSCHY-SJORKVTESA-N 2 0 333.480 0.961 10 0 ECAERP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]([NH3+])COC)CC1 ZINC000262379001 165340387 /nfs/dbraw/zinc/34/03/87/165340387.db2.gz XOEFCPSGYVQYOM-QGZVFWFLSA-N 2 0 334.464 0.414 10 0 ECAERP CC[C@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000262387969 165341823 /nfs/dbraw/zinc/34/18/23/165341823.db2.gz XOSVFSIULIBJPN-HOTGVXAUSA-N 2 0 349.479 0.265 10 0 ECAERP C[NH+]1CCC(NC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000192794395 263166142 /nfs/dbraw/zinc/16/61/42/263166142.db2.gz AQWPWOUIEDAXMX-SFHVURJKSA-N 2 0 346.475 0.799 10 0 ECAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)C1 ZINC000246167658 263176229 /nfs/dbraw/zinc/17/62/29/263176229.db2.gz AXQLWVWPWDXYDQ-GVDBMIGSSA-N 2 0 347.459 0.698 10 0 ECAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)C1(C)C ZINC000249053245 276356245 /nfs/dbraw/zinc/35/62/45/276356245.db2.gz BWXCLUPBJQZFSN-AFIMGQEJSA-N 2 0 341.496 0.823 10 0 ECAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H]([NH+](C)C)C2)CC1=O ZINC000246473816 279303944 /nfs/dbraw/zinc/30/39/44/279303944.db2.gz QYHDAHAMIWEQSX-HRCADAONSA-N 2 0 336.480 0.482 10 0 ECAERP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)CC[C@H](C)[NH3+])CC2)C1 ZINC000248855133 436811967 /nfs/dbraw/zinc/81/19/67/436811967.db2.gz KVDMIKKAWVJZII-JKSUJKDBSA-N 2 0 326.485 0.367 10 0 ECAERP 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165187807 /nfs/dbraw/zinc/18/78/07/165187807.db2.gz POORAHLWGCFKNH-BZUAXINKSA-N 2 0 327.469 0.617 10 0 ECAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261626831 165216629 /nfs/dbraw/zinc/21/66/29/165216629.db2.gz DYBFVQDUKXQETF-HOTGVXAUSA-N 2 0 340.512 0.519 10 0 ECAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261626835 165217908 /nfs/dbraw/zinc/21/79/08/165217908.db2.gz DYBFVQDUKXQETF-HZPDHXFCSA-N 2 0 340.512 0.519 10 0 ECAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261753939 165237949 /nfs/dbraw/zinc/23/79/49/165237949.db2.gz LICDTXSJAVEJOO-JKSUJKDBSA-N 2 0 327.469 0.700 10 0 ECAERP C[C@H](C(=O)NCc1cccc(OCCN2CCOCC2)c1)C1C[NH2+]C1 ZINC000262411534 165346048 /nfs/dbraw/zinc/34/60/48/165346048.db2.gz QQDPHBHRQQYOCG-HNNXBMFYSA-N 2 0 347.459 0.869 10 0 ECAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000194142322 263168362 /nfs/dbraw/zinc/16/83/62/263168362.db2.gz XXZGFLQJQSTYOA-INIZCTEOSA-N 2 0 325.501 0.796 10 0 ECAERP CC[C@@H](O)C[NH+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000174075231 280206694 /nfs/dbraw/zinc/20/66/94/280206694.db2.gz WFJMFRXJWVOTDH-QGZVFWFLSA-N 2 0 340.512 0.364 10 0 ECAERP C[NH+](C)C[C@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000248393082 289217179 /nfs/dbraw/zinc/21/71/79/289217179.db2.gz GEPUZFDITYQGJR-ZWKOTPCHSA-N 2 0 348.491 0.668 10 0 ECAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000113588777 297093587 /nfs/dbraw/zinc/09/35/87/297093587.db2.gz XFTKFVVKPDYMHY-NVXWUHKLSA-N 2 0 337.512 0.891 10 0 ECAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106921925 298617550 /nfs/dbraw/zinc/61/75/50/298617550.db2.gz ZFMSXIDRYDYVAA-AEFFLSMTSA-N 2 0 332.492 0.911 10 0 ECAERP C[NH+](C)[C@H]1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000170834706 436954205 /nfs/dbraw/zinc/95/42/05/436954205.db2.gz BJNSMMXYALINHH-INIZCTEOSA-N 2 0 346.479 0.679 10 0 ECAERP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)C[NH+]1CCN(C)CC1 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