smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CSC ZINC000012056164 539542166 /nfs/dbraw/zinc/54/21/66/539542166.db2.gz RTSUTSFXTZOUSP-GOSISDBHSA-N 2 0 371.591 2.021 50 0 FEAARP c1c(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)nn2c1C[NH2+]CCC2 ZINC000072154287 541790298 /nfs/dbraw/zinc/79/02/98/541790298.db2.gz DKHVXRFEXNDVRH-UHFFFAOYSA-N 2 0 365.525 2.399 50 0 FEAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000072162572 541792185 /nfs/dbraw/zinc/79/21/85/541792185.db2.gz HCXIHAFRDGWBNX-NJYVYQBISA-N 2 0 359.514 2.421 50 0 FEAARP c1ccc(-c2nc3c(c(NCC[NH+]4CCCCCC4)n2)CC[NH2+]C3)nc1 ZINC000072163751 541793549 /nfs/dbraw/zinc/79/35/49/541793549.db2.gz XUDRIFYIRYNGGB-UHFFFAOYSA-N 2 0 352.486 2.472 50 0 FEAARP COc1ccccc1C[NH+]1CCC2(CN(CCC[NH+](C)C)C(=O)O2)CC1 ZINC000072418049 541808076 /nfs/dbraw/zinc/80/80/76/541808076.db2.gz ASGKYNDLADTUMV-UHFFFAOYSA-N 2 0 361.486 2.434 50 0 FEAARP CC[NH+](CC)[C@@H]1CCN(C(=O)C2(Oc3ccc(C)cc3)CC[NH2+]CC2)C1 ZINC000065395004 205344821 /nfs/dbraw/zinc/34/48/21/205344821.db2.gz IVTNNSVHSOZYEX-GOSISDBHSA-N 2 0 359.514 2.439 50 0 FEAARP C[NH+](C)[C@@H]1CCN(C(=O)c2cc(C[N@H+](C)CCc3ccccc3)on2)C1 ZINC000067847645 205396151 /nfs/dbraw/zinc/39/61/51/205396151.db2.gz ORXVQTFIJXRXCK-QGZVFWFLSA-N 2 0 356.470 2.125 50 0 FEAARP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000106924291 206016302 /nfs/dbraw/zinc/01/63/02/206016302.db2.gz CFVLQHHLWALZAP-KSZLIROESA-N 2 0 351.535 2.257 50 0 FEAARP Cc1cc(N2CCC([N@H+]3C[C@H]4CC[C@@H](C3)[C@H]4O)CC2)nc(N2CCCC2)[nH+]1 ZINC000102517079 132235454 /nfs/dbraw/zinc/23/54/54/132235454.db2.gz HLJLLMHKLUPINW-YRWFTTLQSA-N 2 0 371.529 2.057 50 0 FEAARP Cc1cccc(N2CCC([NH2+][C@@H]3CCOC[C@H]3OCC[NH+](C)C)CC2)c1 ZINC000222291511 132276722 /nfs/dbraw/zinc/27/67/22/132276722.db2.gz RAPVXHJPXYFQPQ-NHCUHLMSSA-N 2 0 361.530 2.289 50 0 FEAARP O=C(CCC[NH+]1CCCCCC1)N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095525594 542980704 /nfs/dbraw/zinc/98/07/04/542980704.db2.gz BXEQIQJAUDMOMG-OAQYLSRUSA-N 2 0 373.541 2.348 50 0 FEAARP C[NH+]1CCC(C[NH+]2CCN(C(=O)[C@H]3CCOc4ccccc4C3)CC2)CC1 ZINC000097823626 543016638 /nfs/dbraw/zinc/01/66/38/543016638.db2.gz FGOQBVCNROKSFT-FQEVSTJZSA-N 2 0 371.525 2.114 50 0 FEAARP C[NH+]1CCC(C)(C[N@@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)CC1 ZINC000082083538 523750358 /nfs/dbraw/zinc/75/03/58/523750358.db2.gz VMZACUSVMOLLHD-UHFFFAOYSA-N 2 0 373.545 2.237 50 0 FEAARP COc1ccc2[nH]c(C[NH2+]C3CCN(c4cc(C)[nH+]c(N)n4)CC3)nc2c1 ZINC000095366521 537053679 /nfs/dbraw/zinc/05/36/79/537053679.db2.gz GJLWUAJZLBIERY-UHFFFAOYSA-N 2 0 367.457 2.011 50 0 FEAARP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299758433 553611249 /nfs/dbraw/zinc/61/12/49/553611249.db2.gz KWGYTTWDPHZPTO-HBMCJLEFSA-N 2 0 371.525 2.175 50 0 FEAARP CCN(CC[NH+]1CCCCCC1)C(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426420042 571222603 /nfs/dbraw/zinc/22/26/03/571222603.db2.gz UYXRTIRWZGJMQP-GOSISDBHSA-N 2 0 361.534 2.075 50 0 FEAARP Cc1cc(N)[nH+]c(C)c1-c1ccc(C(=O)N2CCO[C@@H](CC[NH3+])C2)cc1 ZINC000534585973 540385527 /nfs/dbraw/zinc/38/55/27/540385527.db2.gz OQGWRFBXRKEUDU-KRWDZBQOSA-N 2 0 354.454 2.137 50 0 FEAARP Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC000072410373 541807318 /nfs/dbraw/zinc/80/73/18/541807318.db2.gz MISKXIFFCODPTK-SFHVURJKSA-N 2 0 374.577 2.322 50 0 FEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(C)c(OC)cc3C)CC[C@H]21 ZINC000072463198 541817996 /nfs/dbraw/zinc/81/79/96/541817996.db2.gz RCGLAOZSEDTWSH-PKOBYXMFSA-N 2 0 359.514 2.344 50 0 FEAARP Cc1nc2c(c(NCC3([NH+]4CCOCC4)CCCCCC3)n1)CC[NH2+]C2 ZINC000067818958 205394044 /nfs/dbraw/zinc/39/40/44/205394044.db2.gz OFVJJGVUFSPWPE-UHFFFAOYSA-N 2 0 359.518 2.268 50 0 FEAARP C[NH+]1CCC(C[NH+]2CCN(C(=O)c3cnoc3-c3ccccc3)CC2)CC1 ZINC000215451115 206347360 /nfs/dbraw/zinc/34/73/60/206347360.db2.gz STSWVEGSQOOVFB-UHFFFAOYSA-N 2 0 368.481 2.441 50 0 FEAARP CC(C)[N@@H+]1CCO[C@H](CC(=O)N2CCC[NH+](Cc3cccs3)CC2)C1 ZINC000077408136 542379194 /nfs/dbraw/zinc/37/91/94/542379194.db2.gz ROUVPUIDYBKNLW-QGZVFWFLSA-N 2 0 365.543 2.282 50 0 FEAARP Cc1ncc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@H]3CO)n1C ZINC000097797399 543016668 /nfs/dbraw/zinc/01/66/68/543016668.db2.gz ZNRROXCQAUGIMK-IBGZPJMESA-N 2 0 372.513 2.418 50 0 FEAARP CC(C)C[N@@H+]1CC[C@H](CN(C)C(=O)c2cc(F)ccc2OCC[NH3+])C1 ZINC000426728275 263664904 /nfs/dbraw/zinc/66/49/04/263664904.db2.gz LYXNFMHNYRFQSA-OAHLLOKOSA-N 2 0 351.466 2.213 50 0 FEAARP O=C1[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CCN1c1c(F)cccc1F ZINC000252569087 549674612 /nfs/dbraw/zinc/67/46/12/549674612.db2.gz VYQAIBMJIACFCN-LBTBCDHLSA-N 2 0 361.436 2.486 50 0 FEAARP COc1ccc(C[NH+]2CCC([C@@H]3C[NH2+]C[C@H]3CO)CC2)c(Cl)c1OC ZINC000169789007 672322430 /nfs/dbraw/zinc/32/24/30/672322430.db2.gz JTNHCSYIEDOGNC-HOTGVXAUSA-N 2 0 368.905 2.397 50 0 FEAARP CC1(C)CC(CC(=O)NC[C@@H](O)C[NH+]2CCCCCC2)CC(C)(C)[NH2+]1 ZINC000952985134 681795676 /nfs/dbraw/zinc/79/56/76/681795676.db2.gz CJANOESNNKEZGI-QGZVFWFLSA-N 2 0 353.551 2.286 50 0 FEAARP CCc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)on1 ZINC000011817239 539535654 /nfs/dbraw/zinc/53/56/54/539535654.db2.gz NCZNPASLEPLDAX-MRXNPFEDSA-N 2 0 362.518 2.438 50 0 FEAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]C2CCOCC2)cc1OC ZINC000012758469 539572815 /nfs/dbraw/zinc/57/28/15/539572815.db2.gz QTQYWJHKMASVED-GOSISDBHSA-N 2 0 366.502 2.045 50 0 FEAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCSC)cc1OC ZINC000015067320 539610447 /nfs/dbraw/zinc/61/04/47/539610447.db2.gz QTTQKOYYNWLERB-INIZCTEOSA-N 2 0 356.532 2.229 50 0 FEAARP CC(C)CC[N@@H+]1CCN(C2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1CCO ZINC000019229162 539653909 /nfs/dbraw/zinc/65/39/09/539653909.db2.gz RTQRABKJOMGXRL-QFIPXVFZSA-N 2 0 374.573 2.461 50 0 FEAARP CCn1nc(C)c(CC[NH2+][C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)c1C ZINC000072171614 541795748 /nfs/dbraw/zinc/79/57/48/541795748.db2.gz DRPNUUBUABGJBC-RTWAWAEBSA-N 2 0 368.525 2.389 50 0 FEAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NCC1(COc3ccccc3)CC1)CC[NH2+]CC2 ZINC000072409180 541806296 /nfs/dbraw/zinc/80/62/96/541806296.db2.gz IODGWXYLQJZVEP-GOSISDBHSA-N 2 0 357.498 2.036 50 0 FEAARP Cc1ccccc1C[N@@H+]1CC[C@H](CNc2ncnc3c2CC[NH2+]CC3)C1 ZINC000072422754 541808972 /nfs/dbraw/zinc/80/89/72/541808972.db2.gz INGIFQBGNNMCOP-QGZVFWFLSA-N 2 0 351.498 2.407 50 0 FEAARP c1ccc(C[NH+]2CCC(CNc3ncnc4c3CC[NH2+]CC4)CC2)cc1 ZINC000072458145 541816609 /nfs/dbraw/zinc/81/66/09/541816609.db2.gz JVWKRJTWADPQRW-UHFFFAOYSA-N 2 0 351.498 2.489 50 0 FEAARP CCCOc1ccccc1CCCNC(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072146478 205480080 /nfs/dbraw/zinc/48/00/80/205480080.db2.gz OLAVUSCADFQEOH-GOSISDBHSA-N 2 0 359.514 2.256 50 0 FEAARP C[NH+]1CCC(N2CC[N@H+](Cc3cccc4cnccc43)C[C@H]2CCO)CC1 ZINC000104391032 206238942 /nfs/dbraw/zinc/23/89/42/206238942.db2.gz PUJNROGAXNRZDL-OAQYLSRUSA-N 2 0 368.525 2.198 50 0 FEAARP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cc(=O)c4cc(F)ccc4[nH]3)C2)CC1 ZINC000091586099 542814103 /nfs/dbraw/zinc/81/41/03/542814103.db2.gz FSLPBDOSQUJZJH-INIZCTEOSA-N 2 0 372.488 2.127 50 0 FEAARP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cc(=O)c4cc(F)ccc4[nH]3)C2)CC1 ZINC000091586100 542814144 /nfs/dbraw/zinc/81/41/44/542814144.db2.gz FSLPBDOSQUJZJH-MRXNPFEDSA-N 2 0 372.488 2.127 50 0 FEAARP [NH3+]CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)c1 ZINC000091845856 542828270 /nfs/dbraw/zinc/82/82/70/542828270.db2.gz NKNRGTWWZIBZCE-TZIWHRDSSA-N 2 0 364.493 2.319 50 0 FEAARP O[C@H](COc1cccc(C[N@@H+]2CCCCC23CC3)c1)C[NH+]1CCC(O)CC1 ZINC000095501659 542975519 /nfs/dbraw/zinc/97/55/19/542975519.db2.gz RAPUDVHQEHPSHR-FQEVSTJZSA-N 2 0 374.525 2.402 50 0 FEAARP NC(=O)C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095505472 542976036 /nfs/dbraw/zinc/97/60/36/542976036.db2.gz FSRWCUHZEUBRQX-SFHVURJKSA-N 2 0 363.477 2.004 50 0 FEAARP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000111371201 543399790 /nfs/dbraw/zinc/39/97/90/543399790.db2.gz IMFATMIUXUXAJO-LJQANCHMSA-N 2 0 355.486 2.157 50 0 FEAARP OCCC[N@@H+]1CCCn2ccnc2[C@H]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000257190261 549714260 /nfs/dbraw/zinc/71/42/60/549714260.db2.gz LVBLWZXUORTNAE-HXUWFJFHSA-N 2 0 369.513 2.320 50 0 FEAARP C[N@@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)c1cc(Cl)ccc1OCC[NH3+])C2 ZINC000426479825 559735437 /nfs/dbraw/zinc/73/54/37/559735437.db2.gz VHTUURFCFPVETB-ZFWWWQNUSA-N 2 0 351.878 2.234 50 0 FEAARP CC1(C)CC(CC(=O)NC[C@H](O)C[NH+]2CCCCCC2)CC(C)(C)[NH2+]1 ZINC000952985133 681795473 /nfs/dbraw/zinc/79/54/73/681795473.db2.gz CJANOESNNKEZGI-KRWDZBQOSA-N 2 0 353.551 2.286 50 0 FEAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]CCCO)C1CCCCC1 ZINC000011998521 539540851 /nfs/dbraw/zinc/54/08/51/539540851.db2.gz WKRXUGIGFMVSDU-IBGZPJMESA-N 2 0 350.503 2.163 50 0 FEAARP COc1cc(C[NH2+]C2CCC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012429375 539559392 /nfs/dbraw/zinc/55/93/92/539559392.db2.gz NRNDQOJLRZTZEV-QGZVFWFLSA-N 2 0 366.527 2.126 50 0 FEAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCOC(C)C)cc1OC ZINC000012711096 539571303 /nfs/dbraw/zinc/57/13/03/539571303.db2.gz XFABQJPTVUBBLZ-GOSISDBHSA-N 2 0 368.518 2.291 50 0 FEAARP CC[NH+](CC)CCN(CC[NH+](CC)CC)c1c2c(nc3ncnn31)CCC2 ZINC000022621425 539697308 /nfs/dbraw/zinc/69/73/08/539697308.db2.gz BUJSMULBVIMCAZ-UHFFFAOYSA-N 2 0 373.549 2.103 50 0 FEAARP Cc1cc(N)[nH+]c(C)c1-c1ccc(C(=O)N2CCO[C@H](CC[NH3+])C2)cc1 ZINC000534585974 540385520 /nfs/dbraw/zinc/38/55/20/540385520.db2.gz OQGWRFBXRKEUDU-QGZVFWFLSA-N 2 0 354.454 2.137 50 0 FEAARP C[NH+](C)CCNC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072167105 541794241 /nfs/dbraw/zinc/79/42/41/541794241.db2.gz GKDYXSSOINZIBQ-UHFFFAOYSA-N 2 0 365.521 2.376 50 0 FEAARP Cc1nn(C(C)C)c(C)c1CN(C)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072411252 541807173 /nfs/dbraw/zinc/80/71/73/541807173.db2.gz YDFDVDAXAPYDOK-GOSISDBHSA-N 2 0 361.534 2.113 50 0 FEAARP c1nc2sc3c(c2c(N[C@H]2COC[C@@H]2[NH+]2CCCCC2)n1)CC[NH2+]C3 ZINC000065396534 205345232 /nfs/dbraw/zinc/34/52/32/205345232.db2.gz HULHOZLKFHVXHF-KBPBESRZSA-N 2 0 359.499 2.002 50 0 FEAARP Cn1nc(C2CC[NH+](CC3CC[NH+](C)CC3)CC2)n(-c2ccccc2)c1=O ZINC000067640932 205378401 /nfs/dbraw/zinc/37/84/01/205378401.db2.gz YUPFEHBGRUQFTC-UHFFFAOYSA-N 2 0 369.513 2.092 50 0 FEAARP CN1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC12CC[NH+](C)CC2 ZINC000067771048 205390051 /nfs/dbraw/zinc/39/00/51/205390051.db2.gz AJKZBYGDQCVGSQ-UHFFFAOYSA-N 2 0 374.529 2.118 50 0 FEAARP CO[C@H]1CC[N@@H+](C2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)C1 ZINC000095531685 132215238 /nfs/dbraw/zinc/21/52/38/132215238.db2.gz BWEOOQNIOHFHJP-SFHVURJKSA-N 2 0 359.518 2.465 50 0 FEAARP COCC[N@H+](C)C[C@H]1C[C@H](CO)C[NH+](Cc2ccc3c(ccn3C)c2)C1 ZINC000091574421 542813729 /nfs/dbraw/zinc/81/37/29/542813729.db2.gz PSDFKUDOUHUSKW-MOPGFXCFSA-N 2 0 359.514 2.187 50 0 FEAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@@H]2CO)CC1 ZINC000095380326 542965612 /nfs/dbraw/zinc/96/56/12/542965612.db2.gz YXVBXOBYWZYFKC-IAGOWNOFSA-N 2 0 369.912 2.157 50 0 FEAARP C[N@@H+]1CCCN(Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000095496549 542973037 /nfs/dbraw/zinc/97/30/37/542973037.db2.gz FDSCKNWVNAQEJA-HXUWFJFHSA-N 2 0 361.530 2.050 50 0 FEAARP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N[C@H]3CC[C@@H]([NH3+])CC3)nc2)C1 ZINC000244795103 519732254 /nfs/dbraw/zinc/73/22/54/519732254.db2.gz QZNMFKMJBMGABS-QRQLOZEOSA-N 2 0 373.545 2.471 50 0 FEAARP C[NH+]1CCC(OCCCNC(=O)C2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000244601986 548890595 /nfs/dbraw/zinc/89/05/95/548890595.db2.gz DVRZGQGQBWHXTP-UHFFFAOYSA-N 2 0 373.541 2.267 50 0 FEAARP CC(C)[N@@H+]1CCO[C@H](CC(=O)NCC2([NH+]3CCCCC3)CCCC2)C1 ZINC000670472612 571053258 /nfs/dbraw/zinc/05/32/58/571053258.db2.gz WMGAMECRNQGOAC-GOSISDBHSA-N 2 0 351.535 2.401 50 0 FEAARP CC(C)CC[N@@H+]1CC[C@@H](N2CC[NH+](CCc3ccccc3)CC2)[C@H](O)C1 ZINC000019642822 539664094 /nfs/dbraw/zinc/66/40/94/539664094.db2.gz OFTUUQUEHYIVCJ-FGZHOGPDSA-N 2 0 359.558 2.328 50 0 FEAARP C[N@H+](CCc1ccccc1)C1(C(=O)N2CC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000072149556 541788625 /nfs/dbraw/zinc/78/86/25/541788625.db2.gz PVPJKDMJWOMNCB-NRFANRHFSA-N 2 0 363.505 2.258 50 0 FEAARP CN1C[C@]2(C)C[N@@H+]([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)C[C@](C)(C1)C2 ZINC000020862251 206333291 /nfs/dbraw/zinc/33/32/91/206333291.db2.gz OYLXWNCEFPFOSI-MBDNFAEBSA-N 2 0 369.553 2.387 50 0 FEAARP C[N@H+](CCCO)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095500434 542974110 /nfs/dbraw/zinc/97/41/10/542974110.db2.gz MWXTXQIEGGFQAU-IBGZPJMESA-N 2 0 350.503 2.117 50 0 FEAARP Cn1cc([C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000222530589 548709277 /nfs/dbraw/zinc/70/92/77/548709277.db2.gz FOFBPZUPFAFCPN-DUXKGJEZSA-N 2 0 354.498 2.486 50 0 FEAARP C[N@@H+]1CCN(Cc2ccccc2OCCC[NH+]2CCCCC2)C[C@H]1CO ZINC000225326595 548732660 /nfs/dbraw/zinc/73/26/60/548732660.db2.gz VCEDCNDCCWPROD-FQEVSTJZSA-N 2 0 361.530 2.050 50 0 FEAARP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000252496834 549670228 /nfs/dbraw/zinc/67/02/28/549670228.db2.gz PSRRDXUCYJKOMZ-LJQANCHMSA-N 2 0 374.529 2.172 50 0 FEAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C2CCOCC2)CC1 ZINC000011879571 539537192 /nfs/dbraw/zinc/53/71/92/539537192.db2.gz MYEYKUUCHRNLFO-LJQANCHMSA-N 2 0 351.535 2.258 50 0 FEAARP COc1cc(C[NH2+]C2CCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012429374 539559172 /nfs/dbraw/zinc/55/91/72/539559172.db2.gz NRNDQOJLRZTZEV-KRWDZBQOSA-N 2 0 366.527 2.126 50 0 FEAARP COc1ccccc1[C@@H]1CN(c2cc(C)[nH+]c(N)n2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072147286 541789157 /nfs/dbraw/zinc/78/91/57/541789157.db2.gz GWMJXJJTDZSZSO-PWIZWCRZSA-N 2 0 365.481 2.442 50 0 FEAARP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000072308465 541797911 /nfs/dbraw/zinc/79/79/11/541797911.db2.gz LKMXHFAHFIXCAW-GOSISDBHSA-N 2 0 373.463 2.482 50 0 FEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](CCOc3ccc(C)cc3C)CC[C@H]21 ZINC000072472860 541818967 /nfs/dbraw/zinc/81/89/67/541818967.db2.gz SXTPNGOCVZTVBE-RBUKOAKNSA-N 2 0 359.514 2.215 50 0 FEAARP Cn1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)cc2ccccc21 ZINC000072453796 541815607 /nfs/dbraw/zinc/81/56/07/541815607.db2.gz QNDUATIOUXJWAT-FXAWDEMLSA-N 2 0 354.498 2.340 50 0 FEAARP C[N@@H+]1CCCN(C(=O)c2nn(CC[NH+]3CCCCC3)c3ccccc32)CC1 ZINC000064761048 205304634 /nfs/dbraw/zinc/30/46/34/205304634.db2.gz MPDVDXWIVAWTOS-UHFFFAOYSA-N 2 0 369.513 2.300 50 0 FEAARP CC(=O)Nc1ccc(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)cc1 ZINC000065492219 205355820 /nfs/dbraw/zinc/35/58/20/205355820.db2.gz RZAPPBCLEKDDED-QGZVFWFLSA-N 2 0 358.530 2.493 50 0 FEAARP C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1=O ZINC000074215960 542053681 /nfs/dbraw/zinc/05/36/81/542053681.db2.gz XEGZLZFNNMALDM-GOSISDBHSA-N 2 0 372.513 2.021 50 0 FEAARP CCc1cc(N2CCC([NH2+]C[C@@H]3CCCN3CC)CC2)nc(N(C)C)[nH+]1 ZINC000095507641 132212825 /nfs/dbraw/zinc/21/28/25/132212825.db2.gz LCASMALYLIPERK-SFHVURJKSA-N 2 0 360.550 2.148 50 0 FEAARP CCc1cc(N2CCC([NH2+]C[C@@H]3CCCO3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095521913 132214332 /nfs/dbraw/zinc/21/43/32/132214332.db2.gz AJTWGGFMIZVWFB-SFHVURJKSA-N 2 0 359.518 2.377 50 0 FEAARP COCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(CC[NH3+])cc1)CC2 ZINC000091665101 542819020 /nfs/dbraw/zinc/81/90/20/542819020.db2.gz XCSRZAYEFHJNAV-UHFFFAOYSA-N 2 0 359.514 2.039 50 0 FEAARP O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095382399 542965105 /nfs/dbraw/zinc/96/51/05/542965105.db2.gz HWTNMYDBVLOWGM-PMACEKPBSA-N 2 0 357.498 2.266 50 0 FEAARP CC(C)[N@@H+]1CCO[C@H](CC(=O)NCC[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000097601017 543013818 /nfs/dbraw/zinc/01/38/18/543013818.db2.gz KZNLPJUFSIDOCC-OAQYLSRUSA-N 2 0 373.541 2.482 50 0 FEAARP CC[N@@H+]1CCC[C@@H]1CN(Cc1cc[nH]n1)CC1CC[NH+](CCOC)CC1 ZINC000020212163 521633673 /nfs/dbraw/zinc/63/36/73/521633673.db2.gz SSSDLTYLRNUSMN-HXUWFJFHSA-N 2 0 363.550 2.054 50 0 FEAARP COc1cc2c(cc1C[NH+]1CCC(Cn3cc(C[NH3+])nn3)CC1)CCC2 ZINC000082039401 522998905 /nfs/dbraw/zinc/99/89/05/522998905.db2.gz BQDPOIVFYFNJGU-UHFFFAOYSA-N 2 0 355.486 2.146 50 0 FEAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000408525432 558685607 /nfs/dbraw/zinc/68/56/07/558685607.db2.gz GSABEQFFZXQTPV-SBHAEUEKSA-N 2 0 372.557 2.484 50 0 FEAARP O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584885307 571313573 /nfs/dbraw/zinc/31/35/73/571313573.db2.gz KGOBUHPDJSSDOH-UHFFFAOYSA-N 2 0 357.502 2.035 50 0 FEAARP COCC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012093093 670000733 /nfs/dbraw/zinc/00/07/33/670000733.db2.gz LBDTZPLLKFKNIS-IBGZPJMESA-N 2 0 350.503 2.427 50 0 FEAARP [NH3+]Cc1cn(C[C@@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)nn1 ZINC000023540697 670049260 /nfs/dbraw/zinc/04/92/60/670049260.db2.gz PRVIQDZIDUQKIT-CYBMUJFWSA-N 2 0 351.401 2.250 50 0 FEAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](C2CCOCC2)CC1 ZINC000011879572 539537687 /nfs/dbraw/zinc/53/76/87/539537687.db2.gz MYEYKUUCHRNLFO-IBGZPJMESA-N 2 0 351.535 2.258 50 0 FEAARP CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](C(C)C)CC2 ZINC000014746356 539605131 /nfs/dbraw/zinc/60/51/31/539605131.db2.gz OYRKYGDTMLQVNH-UHFFFAOYSA-N 2 0 352.523 2.101 50 0 FEAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022241653 539692727 /nfs/dbraw/zinc/69/27/27/539692727.db2.gz UMGNSVMQKXBSKB-UHFFFAOYSA-N 2 0 361.486 2.085 50 0 FEAARP C[N@H+](CCc1ccccc1)C1(C(=O)N2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000072155917 541790459 /nfs/dbraw/zinc/79/04/59/541790459.db2.gz WIXSXPTUPQYRSC-UHFFFAOYSA-N 2 0 363.505 2.130 50 0 FEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCOc1ccccc1)CC[NH+](C)CC2 ZINC000072470094 541818446 /nfs/dbraw/zinc/81/84/46/541818446.db2.gz UYPLEHAYDFKBNO-IBGZPJMESA-N 2 0 359.514 2.378 50 0 FEAARP C[NH+]1CCN(Cc2ccccc2Oc2ccc3c(c2)C[C@@H](C[NH3+])O3)CC1 ZINC000067783926 205390601 /nfs/dbraw/zinc/39/06/01/205390601.db2.gz GCZQLTSYEHFUAZ-IBGZPJMESA-N 2 0 353.466 2.489 50 0 FEAARP CC[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000095507327 542976440 /nfs/dbraw/zinc/97/64/40/542976440.db2.gz SAVGOOKCONWHMQ-UHFFFAOYSA-N 2 0 353.894 2.495 50 0 FEAARP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000097358397 543010658 /nfs/dbraw/zinc/01/06/58/543010658.db2.gz BLBUSCOFWFCHSY-LJQANCHMSA-N 2 0 368.566 2.297 50 0 FEAARP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101385245 543027222 /nfs/dbraw/zinc/02/72/22/543027222.db2.gz SUXPSJLNGRLVJE-VQTJNVASSA-N 2 0 354.498 2.479 50 0 FEAARP CC1(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)CC[NH2+]CC1 ZINC000082134656 520225156 /nfs/dbraw/zinc/22/51/56/520225156.db2.gz FRXGTBLGZNQBOZ-UHFFFAOYSA-N 2 0 373.545 2.427 50 0 FEAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@H+](C)CC(C)C)c2)CC1 ZINC000020168758 521687061 /nfs/dbraw/zinc/68/70/61/521687061.db2.gz XWLKMPFMAVYJDK-FQEVSTJZSA-N 2 0 363.546 2.152 50 0 FEAARP O=C1[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000252569086 549675208 /nfs/dbraw/zinc/67/52/08/549675208.db2.gz VYQAIBMJIACFCN-IHETXDGRSA-N 2 0 361.436 2.486 50 0 FEAARP Nc1nc([C@@H]2CCOC2)cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000426573171 559738138 /nfs/dbraw/zinc/73/81/38/559738138.db2.gz OAGWAPOTFFIFIT-MRXNPFEDSA-N 2 0 371.460 2.414 50 0 FEAARP COc1cc(C[NH+]2CCCC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012440637 670001975 /nfs/dbraw/zinc/00/19/75/670001975.db2.gz KLRASDIFQJUJAI-QGZVFWFLSA-N 2 0 366.527 2.080 50 0 FEAARP COc1cc(C[NH2+]CC(C)(C)OC)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012573875 539565643 /nfs/dbraw/zinc/56/56/43/539565643.db2.gz DZWMUZXNRBVKQK-QGZVFWFLSA-N 2 0 366.502 2.045 50 0 FEAARP Cc1ncc2c(c1CNC(=O)c1ccccc1[C@H]1CC[NH2+]C1)CC[NH2+]C2 ZINC000072161261 541792311 /nfs/dbraw/zinc/79/23/11/541792311.db2.gz QCMQMSANNXKPAL-HNNXBMFYSA-N 2 0 350.466 2.043 50 0 FEAARP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+](C3CCOCC3)CC2)OC1=O ZINC000072419717 541808232 /nfs/dbraw/zinc/80/82/32/541808232.db2.gz GTOFOKQXQBXVPH-UHFFFAOYSA-N 2 0 367.534 2.430 50 0 FEAARP Cc1nnc(SCCC[NH2+]C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)s1 ZINC000063883071 205295023 /nfs/dbraw/zinc/29/50/23/205295023.db2.gz LBFJMXHUTNOCKN-GDBMZVCRSA-N 2 0 356.561 2.298 50 0 FEAARP C[NH+](C)[C@H]1CCN(C(=O)c2cc(C[N@H+](C)CCc3ccccc3)on2)C1 ZINC000067847548 205396303 /nfs/dbraw/zinc/39/63/03/205396303.db2.gz ORXVQTFIJXRXCK-KRWDZBQOSA-N 2 0 356.470 2.125 50 0 FEAARP C[C@@H]1C[C@H](N(C)C(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000237585292 206104980 /nfs/dbraw/zinc/10/49/80/206104980.db2.gz OTMPFKBIDHNECQ-RLLQIKCJSA-N 2 0 359.514 2.267 50 0 FEAARP Cc1c[nH+]ccc1N1CCCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(C)n2)CC1 ZINC000252536834 206579417 /nfs/dbraw/zinc/57/94/17/206579417.db2.gz JQSXWTDGXFQMTH-CALCHBBNSA-N 2 0 352.486 2.410 50 0 FEAARP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(N(C)C)n2)CC1)c1cnn(C)c1 ZINC000095369981 132208551 /nfs/dbraw/zinc/20/85/51/132208551.db2.gz AZLIZFPOBSLTEB-KRWDZBQOSA-N 2 0 357.506 2.294 50 0 FEAARP Cc1cccc(N2CCN(C(=O)[C@H]3CC4(C[N@H+]3C)CC[NH2+]CC4)CC2)c1C ZINC000072410930 136145502 /nfs/dbraw/zinc/14/55/02/136145502.db2.gz YFIYFQPPGCBDSC-HXUWFJFHSA-N 2 0 370.541 2.026 50 0 FEAARP c1cc([C@@H]2C[N@@H+](C3CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)cc2c1OCO2 ZINC000095378874 542964771 /nfs/dbraw/zinc/96/47/71/542964771.db2.gz GWNGMTQVEDNSDP-IOMROCGXSA-N 2 0 355.482 2.029 50 0 FEAARP CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000095941566 542983812 /nfs/dbraw/zinc/98/38/12/542983812.db2.gz BWCRJRATABFZQV-UXHICEINSA-N 2 0 360.546 2.212 50 0 FEAARP C[NH+](C)CCCC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082155813 524051747 /nfs/dbraw/zinc/05/17/47/524051747.db2.gz RIYMFPNZHHKSEP-UHFFFAOYSA-N 2 0 361.534 2.380 50 0 FEAARP CCC[NH+]1CCC(CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000426478695 559735343 /nfs/dbraw/zinc/73/53/43/559735343.db2.gz IBMAEHGSJNLORK-UHFFFAOYSA-N 2 0 359.518 2.425 50 0 FEAARP COCC[N@@H+]1C[C@@H](CO)C2(C1)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000169789527 672322493 /nfs/dbraw/zinc/32/24/93/672322493.db2.gz CQIDJGMDQZWCMZ-INIZCTEOSA-N 2 0 354.441 2.118 50 0 FEAARP O=C([C@@H]1CCC[N@@H+](C2CCCCC2)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000065526024 541243450 /nfs/dbraw/zinc/24/34/50/541243450.db2.gz XUFIXVQSEZFBNC-GOSISDBHSA-N 2 0 363.546 2.354 50 0 FEAARP Cc1cccc2cc(C[NH+]3CCC(O)(C[NH+]4CCCC4)CC3)c(=O)[nH]c12 ZINC000067967729 541534293 /nfs/dbraw/zinc/53/42/93/541534293.db2.gz KCGCAMKELPJDAL-UHFFFAOYSA-N 2 0 355.482 2.259 50 0 FEAARP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000097815505 209198344 /nfs/dbraw/zinc/19/83/44/209198344.db2.gz CWMKXPXBXIRRHD-FQEVSTJZSA-N 2 0 371.525 2.268 50 0 FEAARP CN(Cc1cc(-c2ccccc2)on1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072156548 541791665 /nfs/dbraw/zinc/79/16/65/541791665.db2.gz UPEDREJLODEXGX-KRWDZBQOSA-N 2 0 354.454 2.032 50 0 FEAARP COCC[N@H+](C)CCN1CC2(CC[NH+](C3CCCCC3)CC2)OC1=O ZINC000072439990 541815156 /nfs/dbraw/zinc/81/51/56/541815156.db2.gz ZNFHDXZWJCOTLO-UHFFFAOYSA-N 2 0 353.507 2.184 50 0 FEAARP [NH3+]CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)c1 ZINC000092020043 209011123 /nfs/dbraw/zinc/01/11/23/209011123.db2.gz ZBRSTKCOISNQPV-PZJWPPBQSA-N 2 0 364.493 2.206 50 0 FEAARP C[C@H](C1CCN(C(=O)CN2CCc3ccccc3C2)CC1)[NH+]1CCOCC1 ZINC000216439585 548677284 /nfs/dbraw/zinc/67/72/84/548677284.db2.gz WEGOLRFROUYPEC-GOSISDBHSA-N 2 0 371.525 2.004 50 0 FEAARP CCN1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000174448242 672361265 /nfs/dbraw/zinc/36/12/65/672361265.db2.gz RYNZMHJWKJQBFK-GOSISDBHSA-N 2 0 365.905 2.141 50 0 FEAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccncc3)C2)CC1 ZINC000019220692 539653542 /nfs/dbraw/zinc/65/35/42/539653542.db2.gz GVEJTRJPULIRCA-LJQANCHMSA-N 2 0 358.530 2.325 50 0 FEAARP C[NH+]1CCN(Cc2ccccc2Oc2ccc3c(c2)C[C@H](C[NH3+])O3)CC1 ZINC000067783923 541513390 /nfs/dbraw/zinc/51/33/90/541513390.db2.gz GCZQLTSYEHFUAZ-LJQANCHMSA-N 2 0 353.466 2.489 50 0 FEAARP CC(C)C[N@H+](C)CCCN1CC2(CCN([C@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072423373 541809671 /nfs/dbraw/zinc/80/96/71/541809671.db2.gz QBFODUIGRMHFFU-SFHVURJKSA-N 2 0 366.550 2.003 50 0 FEAARP CCC[NH+]1CCC2(CN(CCCN3CC[NH+](C(C)C)CC3)C(=O)O2)CC1 ZINC000072428812 541811585 /nfs/dbraw/zinc/81/15/85/541811585.db2.gz VUNGTRMKFRLFJI-UHFFFAOYSA-N 2 0 366.550 2.099 50 0 FEAARP [NH3+]CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cc1 ZINC000092065211 209014530 /nfs/dbraw/zinc/01/45/30/209014530.db2.gz RTAVNCUUEKZPPB-TZIWHRDSSA-N 2 0 364.493 2.319 50 0 FEAARP CCN1CC[NH+](C[C@@H]2CN(c3cc(C)[nH+]c4ccccc43)C[C@@H]2CO)CC1 ZINC000095386469 209044633 /nfs/dbraw/zinc/04/46/33/209044633.db2.gz BJQGJCKZJMGJJN-RTBURBONSA-N 2 0 368.525 2.225 50 0 FEAARP O[C@@H](COc1ccccc1C[NH+]1CCC(F)CC1)C[NH+]1CCSCC1 ZINC000095512615 209068424 /nfs/dbraw/zinc/06/84/24/209068424.db2.gz JDUMCUBGLXYWFM-GOSISDBHSA-N 2 0 368.518 2.409 50 0 FEAARP CC1(C)CCC[N@@H+]1Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000095519425 209071919 /nfs/dbraw/zinc/07/19/19/209071919.db2.gz UUVPZPUJFPZSHG-IBGZPJMESA-N 2 0 362.514 2.257 50 0 FEAARP CC[NH+](CC)[C@H]1CCN(c2nc(-c3ccccn3)nc3c2CC[NH2+]C3)C1 ZINC000091574466 542813433 /nfs/dbraw/zinc/81/34/33/542813433.db2.gz IOSRFZLTQFPJBN-HNNXBMFYSA-N 2 0 352.486 2.105 50 0 FEAARP [NH3+]CCCCCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072128193 136142127 /nfs/dbraw/zinc/14/21/27/136142127.db2.gz MLQOUUFZFQPDGD-HXUWFJFHSA-N 2 0 358.530 2.319 50 0 FEAARP CCc1cc(N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)nc(N(C)C)[nH+]1 ZINC000072131833 136142174 /nfs/dbraw/zinc/14/21/74/136142174.db2.gz NFEGHWDBLDTANH-MOPGFXCFSA-N 2 0 367.497 2.018 50 0 FEAARP C[C@@H]1C[C@H](N(C)C(=O)C[NH2+]C[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269265438 525414256 /nfs/dbraw/zinc/41/42/56/525414256.db2.gz OTMPFKBIDHNECQ-MISYRCLQSA-N 2 0 359.514 2.267 50 0 FEAARP COc1cccc(F)c1CN1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000221244091 548704053 /nfs/dbraw/zinc/70/40/53/548704053.db2.gz RWCSXCFAFQIWFW-SFHVURJKSA-N 2 0 362.449 2.032 50 0 FEAARP Nc1nc([C@H]2CCOC2)cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000426573169 559738166 /nfs/dbraw/zinc/73/81/66/559738166.db2.gz OAGWAPOTFFIFIT-INIZCTEOSA-N 2 0 371.460 2.414 50 0 FEAARP C[N@@H+]1CC[C@H](CNC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000426582763 559738224 /nfs/dbraw/zinc/73/82/24/559738224.db2.gz GLIZPMOZANZXFO-LJQANCHMSA-N 2 0 358.530 2.287 50 0 FEAARP Cc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1OCC[NH3+] ZINC000426465344 571226599 /nfs/dbraw/zinc/22/65/99/571226599.db2.gz XHVOQBKYAJCMCA-UHFFFAOYSA-N 2 0 368.481 2.122 50 0 FEAARP COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccc(F)cc1 ZINC000013732833 539591683 /nfs/dbraw/zinc/59/16/83/539591683.db2.gz QYPGHCASWRMGHM-UHFFFAOYSA-N 2 0 362.445 2.475 50 0 FEAARP Cc1nc(-c2ccccc2)ncc1C[NH+]1CCC(n2cc(C[NH3+])nn2)CC1 ZINC000023153364 539707683 /nfs/dbraw/zinc/70/76/83/539707683.db2.gz YMBOGOJTPUVIKW-UHFFFAOYSA-N 2 0 363.469 2.339 50 0 FEAARP Cc1ccccc1C[N@@H+]1CC[C@@H](CNc2ncnc3c2CC[NH2+]CC3)C1 ZINC000072422755 541809062 /nfs/dbraw/zinc/80/90/62/541809062.db2.gz INGIFQBGNNMCOP-KRWDZBQOSA-N 2 0 351.498 2.407 50 0 FEAARP COc1cc(OC)c(OC)cc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000004988968 207070177 /nfs/dbraw/zinc/07/01/77/207070177.db2.gz NJGXYOZDPYPDPK-UHFFFAOYSA-N 2 0 367.534 2.418 50 0 FEAARP C[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CC(=O)N3CCOCC3)CC2)C1 ZINC000091694717 542820641 /nfs/dbraw/zinc/82/06/41/542820641.db2.gz HXNXMSHKKMLBBY-HXUWFJFHSA-N 2 0 371.525 2.047 50 0 FEAARP Cc1ncccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420805 543289656 /nfs/dbraw/zinc/28/96/56/543289656.db2.gz RBFVDFJEMGLWOU-FQEVSTJZSA-N 2 0 352.482 2.377 50 0 FEAARP Cc1ccc(C2(C[N@@H+]3CCC[C@H](CN4CCCC4=O)C3)CC[NH2+]CC2)nc1 ZINC000065501494 541241519 /nfs/dbraw/zinc/24/15/19/541241519.db2.gz QRKSBUWDODEMQX-IBGZPJMESA-N 2 0 370.541 2.346 50 0 FEAARP C[N@H+](CCc1ccccc1)Cc1cc(C(=O)N2CC[NH+]3CCC[C@@H]3C2)no1 ZINC000067542113 541477930 /nfs/dbraw/zinc/47/79/30/541477930.db2.gz ILBXDEZLMOIEDS-GOSISDBHSA-N 2 0 368.481 2.269 50 0 FEAARP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000072312743 541798601 /nfs/dbraw/zinc/79/86/01/541798601.db2.gz CFVLQHHLWALZAP-KZNAEPCWSA-N 2 0 351.535 2.257 50 0 FEAARP Cc1cc(C)cc(OCCN(C)C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c1 ZINC000072408609 541806387 /nfs/dbraw/zinc/80/63/87/541806387.db2.gz GHZAJGDHOUEMDN-LJQANCHMSA-N 2 0 359.514 2.215 50 0 FEAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NCCOCc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000072475361 541819317 /nfs/dbraw/zinc/81/93/17/541819317.db2.gz XIQMGWNMBMQYDW-QGZVFWFLSA-N 2 0 365.905 2.047 50 0 FEAARP C[NH+](C)C[C@@]1(O)CCN(Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000072477053 541819542 /nfs/dbraw/zinc/81/95/42/541819542.db2.gz PQRBRSRQWWQJIN-NRFANRHFSA-N 2 0 361.530 2.050 50 0 FEAARP CSCCC[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012438898 207376565 /nfs/dbraw/zinc/37/65/65/207376565.db2.gz DVQDKJBGCWZOEO-KRWDZBQOSA-N 2 0 370.584 2.318 50 0 FEAARP Cc1cc(N2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)nc(N)[nH+]1 ZINC000244882792 132291781 /nfs/dbraw/zinc/29/17/81/132291781.db2.gz XZBMDUXFHNMBOB-UHFFFAOYSA-N 2 0 374.876 2.171 50 0 FEAARP COc1cc(C(=O)NCC[NH3+])ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095520588 209073112 /nfs/dbraw/zinc/07/31/12/209073112.db2.gz VFCTZYCQUFRQCH-UHFFFAOYSA-N 2 0 361.486 2.170 50 0 FEAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000263338111 524577099 /nfs/dbraw/zinc/57/70/99/524577099.db2.gz ODSKVVCBQSVGLX-GGPKGHCWSA-N 2 0 358.530 2.094 50 0 FEAARP C[NH+](C)CCNC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000034684714 535889706 /nfs/dbraw/zinc/88/97/06/535889706.db2.gz PQJWITSSVVTFLL-UHFFFAOYSA-N 2 0 366.509 2.300 50 0 FEAARP CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(CN3CC[NH+](C)CC3)c(C)cc2C)C1 ZINC000216062956 548676400 /nfs/dbraw/zinc/67/64/00/548676400.db2.gz WDMVDXOCIZUCLI-JOCHJYFZSA-N 2 0 372.557 2.151 50 0 FEAARP C[C@@H](C1CCN(C(=O)CN2CCc3ccccc3C2)CC1)[NH+]1CCOCC1 ZINC000216439547 548677998 /nfs/dbraw/zinc/67/79/98/548677998.db2.gz WEGOLRFROUYPEC-SFHVURJKSA-N 2 0 371.525 2.004 50 0 FEAARP Cc1cc(NC(=O)NCC2CC[NH+](C)CC2)cc(N2CC[NH+](C)CC2)c1 ZINC000252490664 549669032 /nfs/dbraw/zinc/66/90/32/549669032.db2.gz KYTOGXCFQGOVAI-UHFFFAOYSA-N 2 0 359.518 2.210 50 0 FEAARP CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+][C@@H](C)C3)C2)nc2ccccc21 ZINC000253603278 549698395 /nfs/dbraw/zinc/69/83/95/549698395.db2.gz JPOIRTQITQUKTJ-DLBZAZTESA-N 2 0 369.513 2.089 50 0 FEAARP CCN1CCC[C@@H]1C[N@H+](CC1CC[NH+](CCOC)CC1)CC(C)(C)CO ZINC000020779815 539677672 /nfs/dbraw/zinc/67/76/72/539677672.db2.gz COYQAICJGATTEW-HXUWFJFHSA-N 2 0 369.594 2.150 50 0 FEAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc2onc(C)c21 ZINC000058377915 540841248 /nfs/dbraw/zinc/84/12/48/540841248.db2.gz CWGZFTQLCLSIEG-INIZCTEOSA-N 2 0 373.501 2.328 50 0 FEAARP Cc1cccc(CN2CCN(C(=O)CC3=CSC4=NCCN34)CC2)c1 ZINC000101921774 209230756 /nfs/dbraw/zinc/23/07/56/209230756.db2.gz DPRCCTYUHHABRH-UHFFFAOYSA-N 2 0 356.495 2.289 50 0 FEAARP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101385250 209225063 /nfs/dbraw/zinc/22/50/63/209225063.db2.gz SUXPSJLNGRLVJE-PMACEKPBSA-N 2 0 354.498 2.479 50 0 FEAARP C[C@@H](Cn1nc(C2CC[NH2+]CC2)n(Cc2ccccc2)c1=O)[NH+]1CCCC1 ZINC000067955444 541532901 /nfs/dbraw/zinc/53/29/01/541532901.db2.gz IJODECRTWWCYHL-KRWDZBQOSA-N 2 0 369.513 2.044 50 0 FEAARP CC[N@H+](Cc1c(C(=O)N2CCC[NH+](C)CC2)nc2sccn12)C1CC1 ZINC000071708153 541768657 /nfs/dbraw/zinc/76/86/57/541768657.db2.gz PCJSYNKWWGLQQG-UHFFFAOYSA-N 2 0 361.515 2.158 50 0 FEAARP Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2)CC3 ZINC000072412076 541807580 /nfs/dbraw/zinc/80/75/80/541807580.db2.gz WOVDNLUHZWDYMR-FQEVSTJZSA-N 2 0 366.509 2.435 50 0 FEAARP C[N@@H+]1CCC[C@@H]1CCNc1nc(-c2ccncc2)nc2c1CC[NH2+]CC2 ZINC000072453444 541815881 /nfs/dbraw/zinc/81/58/81/541815881.db2.gz YVPCQUUWSKVOKJ-MRXNPFEDSA-N 2 0 352.486 2.123 50 0 FEAARP CC(C)C[N@H+](C)CCN1CC2(CC[NH+]([C@H]3CCSC3)CC2)OC1=O ZINC000072480179 541821477 /nfs/dbraw/zinc/82/14/77/541821477.db2.gz LAXWRDDXIUTTFN-INIZCTEOSA-N 2 0 355.548 2.367 50 0 FEAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000072171205 208824048 /nfs/dbraw/zinc/82/40/48/208824048.db2.gz ZZCXPDSXIYRBFF-QGZVFWFLSA-N 2 0 372.900 2.438 50 0 FEAARP CNC(=O)C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000095517063 209070081 /nfs/dbraw/zinc/07/00/81/209070081.db2.gz NTFMNFGMKZWSSC-NRFANRHFSA-N 2 0 373.541 2.434 50 0 FEAARP OCC[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095520838 209072008 /nfs/dbraw/zinc/07/20/08/209072008.db2.gz FVFSULRYPBUPGS-JOCHJYFZSA-N 2 0 358.526 2.339 50 0 FEAARP CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(c1cc(C)[nH+]c(N)n1)CC2 ZINC000091876513 132204157 /nfs/dbraw/zinc/20/41/57/132204157.db2.gz ASKRMLMBLWENBB-UHFFFAOYSA-N 2 0 355.490 2.244 50 0 FEAARP Cc1nc(C)c(C[N@@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)s1 ZINC000091550948 542812331 /nfs/dbraw/zinc/81/23/31/542812331.db2.gz ICPFWIJLJOLYKJ-GOSISDBHSA-N 2 0 353.532 2.055 50 0 FEAARP Cc1nc(C)c(C[N@@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)s1 ZINC000091550946 542812498 /nfs/dbraw/zinc/81/24/98/542812498.db2.gz ICPFWIJLJOLYKJ-SFHVURJKSA-N 2 0 353.532 2.055 50 0 FEAARP CC[NH+](CC)Cc1ccc(OC[C@@H](O)C[NH+]2CCSCC2)c(OC)c1 ZINC000095523761 209074849 /nfs/dbraw/zinc/07/48/49/209074849.db2.gz MTURCCUGUOCEDY-KRWDZBQOSA-N 2 0 368.543 2.326 50 0 FEAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@H+](C)CC(C)C)c2)CC1 ZINC000020168754 521684971 /nfs/dbraw/zinc/68/49/71/521684971.db2.gz XWLKMPFMAVYJDK-HXUWFJFHSA-N 2 0 363.546 2.152 50 0 FEAARP CC[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC[C@H]1[NH3+] ZINC000253370458 549685007 /nfs/dbraw/zinc/68/50/07/549685007.db2.gz RDLFOMPUFCHVNJ-VQIMIIECSA-N 2 0 365.543 2.207 50 0 FEAARP O=C(CC1CC[NH+](Cc2ccccc2)CC1)NCC[N@H+]1CCCC[C@H]1CO ZINC000299802203 553616679 /nfs/dbraw/zinc/61/66/79/553616679.db2.gz YCOKYPLEZAFHFP-NRFANRHFSA-N 2 0 373.541 2.252 50 0 FEAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000408525433 558685959 /nfs/dbraw/zinc/68/59/59/558685959.db2.gz GSABEQFFZXQTPV-ZVDOUQERSA-N 2 0 372.557 2.484 50 0 FEAARP COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OCC[NH3+])c1 ZINC000426581326 559738251 /nfs/dbraw/zinc/73/82/51/559738251.db2.gz SPJQIWJUZZTPKU-QGZVFWFLSA-N 2 0 369.465 2.037 50 0 FEAARP CC(C)(C)C[N@@H+]1CCN(C2CC[NH+](Cc3ccccn3)CC2)C[C@H]1CCO ZINC000104343491 570859129 /nfs/dbraw/zinc/85/91/29/570859129.db2.gz SRVNFTTXZDQRHU-OAQYLSRUSA-N 2 0 374.573 2.461 50 0 FEAARP Cc1ncc2c(c1-c1noc(CSCC[NH+]3CCCC3)n1)CC[NH2+]C2 ZINC000019731318 670029490 /nfs/dbraw/zinc/02/94/90/670029490.db2.gz KTFRNNHWGRZYOA-UHFFFAOYSA-N 2 0 359.499 2.415 50 0 FEAARP CC(C)[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000012716009 539571273 /nfs/dbraw/zinc/57/12/73/539571273.db2.gz CINKTDOZVHODLX-LJQANCHMSA-N 2 0 364.578 2.172 50 0 FEAARP O=C(CC[NH+]1CCCCCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000063848411 541188042 /nfs/dbraw/zinc/18/80/42/541188042.db2.gz ITDMJGCRQPBBBT-UHFFFAOYSA-N 2 0 351.535 2.213 50 0 FEAARP CN1CCC([NH+]2CCC(c3nc(CC4CC[NH+](C)CC4)no3)CC2)CC1 ZINC000067460411 541466967 /nfs/dbraw/zinc/46/69/67/541466967.db2.gz BNFMZEAJJZSCAP-UHFFFAOYSA-N 2 0 361.534 2.228 50 0 FEAARP C[C@H](Cn1nc(C2CC[NH2+]CC2)n(Cc2ccccc2)c1=O)[NH+]1CCCC1 ZINC000067955446 541533013 /nfs/dbraw/zinc/53/30/13/541533013.db2.gz IJODECRTWWCYHL-QGZVFWFLSA-N 2 0 369.513 2.044 50 0 FEAARP CC(C)[NH+]1CCN(C(=O)CC[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000067975551 541534897 /nfs/dbraw/zinc/53/48/97/541534897.db2.gz YFPPBPQJAHECSD-UHFFFAOYSA-N 2 0 373.476 2.248 50 0 FEAARP C[N@H+](CCc1ccccc1)C1(C(=O)N[C@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000072161530 541792633 /nfs/dbraw/zinc/79/26/33/541792633.db2.gz CWGAPYNSADUTOL-NRFANRHFSA-N 2 0 363.505 2.177 50 0 FEAARP CCOCc1nc2c(c(NCCC34CCC[NH+]3CCC4)n1)CC[NH2+]CC2 ZINC000072418111 541808374 /nfs/dbraw/zinc/80/83/74/541808374.db2.gz UDTFZJSYQSZXOZ-UHFFFAOYSA-N 2 0 359.518 2.132 50 0 FEAARP C[C@@H](COc1ccccc1)[NH+]1CCC2(CN(CC[NH+](C)C)C(=O)O2)CC1 ZINC000072428663 541811453 /nfs/dbraw/zinc/81/14/53/541811453.db2.gz BUGHCADUZAMGFH-KRWDZBQOSA-N 2 0 361.486 2.302 50 0 FEAARP CC[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC[C@@H]1[NH3+] ZINC000097165810 209174833 /nfs/dbraw/zinc/17/48/33/209174833.db2.gz RDLFOMPUFCHVNJ-APWZRJJASA-N 2 0 365.543 2.207 50 0 FEAARP Cc1cc(C)cc(-n2nc(CC3CC[NH+](C)CC3)nc2[C@H]2C[NH2+]CCO2)c1 ZINC000096131805 209117814 /nfs/dbraw/zinc/11/78/14/209117814.db2.gz WAVCPCYMXZXFSF-LJQANCHMSA-N 2 0 369.513 2.429 50 0 FEAARP CCC[C@H](C(=O)NCCCCCCNC(=O)[C@@H](CCC)[NH+](C)C)[NH+](C)C ZINC000004530321 207025528 /nfs/dbraw/zinc/02/55/28/207025528.db2.gz NPRGXIACRQKLQF-QZTJIDSGSA-N 2 0 370.582 2.240 50 0 FEAARP CCn1c(CN(C)C)nnc1C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC000077393147 542377913 /nfs/dbraw/zinc/37/79/13/542377913.db2.gz AKPUOFSJEYVOPZ-UHFFFAOYSA-N 2 0 362.566 2.271 50 0 FEAARP CC[N@H+](C)C(C)(C)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000095432804 209049893 /nfs/dbraw/zinc/04/98/93/209049893.db2.gz YAZYADOJEYDAHD-UHFFFAOYSA-N 2 0 360.546 2.171 50 0 FEAARP Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3C)CC2)cc1OCCC[NH3+] ZINC000299781322 132299569 /nfs/dbraw/zinc/29/95/69/132299569.db2.gz WQMXIDNDXRZMGC-UHFFFAOYSA-N 2 0 368.481 2.388 50 0 FEAARP C[NH+](C)Cc1csc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000091548744 521939275 /nfs/dbraw/zinc/93/92/75/521939275.db2.gz QFMRWXSPVUAXLL-QZTJIDSGSA-N 2 0 351.560 2.336 50 0 FEAARP O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091651107 526310729 /nfs/dbraw/zinc/31/07/29/526310729.db2.gz MUDJGEFCLDRLBE-HXUWFJFHSA-N 2 0 359.514 2.249 50 0 FEAARP O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC000020455757 526766229 /nfs/dbraw/zinc/76/62/29/526766229.db2.gz XMXANPCPJRXMPI-UHFFFAOYSA-N 2 0 356.514 2.284 50 0 FEAARP CCC[C@@H]1CN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1[NH+](C)C ZINC000095506258 535433981 /nfs/dbraw/zinc/43/39/81/535433981.db2.gz LVTPOLCPKGPTPE-UYAOXDASSA-N 2 0 358.530 2.241 50 0 FEAARP Cc1nnc([C@@H]2CC3(CN2CCO)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000257190090 549714586 /nfs/dbraw/zinc/71/45/86/549714586.db2.gz LEGKLZXCTWEYTR-SFHVURJKSA-N 2 0 356.470 2.400 50 0 FEAARP O=C(NCC[N@H+]1CCC[C@H](CO)C1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299763488 553611658 /nfs/dbraw/zinc/61/16/58/553611658.db2.gz NSBBHROQQJHTHJ-IBGZPJMESA-N 2 0 374.529 2.498 50 0 FEAARP CC(C)C[N@@H+]1CC[C@@H](CN(C)C(=O)c2cc(F)ccc2OCC[NH3+])C1 ZINC000426728274 559740951 /nfs/dbraw/zinc/74/09/51/559740951.db2.gz LYXNFMHNYRFQSA-HNNXBMFYSA-N 2 0 351.466 2.213 50 0 FEAARP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1OCCN1CCOCC1)C2 ZINC000216011983 568100579 /nfs/dbraw/zinc/10/05/79/568100579.db2.gz QZTDFZLZGOSUAU-JOCHJYFZSA-N 3 0 373.541 2.315 50 0 FEAARP Cc1ccc(OCC[NH3+])c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000426377813 571216829 /nfs/dbraw/zinc/21/68/29/571216829.db2.gz AFIGDDXRMCNRDR-UHFFFAOYSA-N 2 0 368.481 2.122 50 0 FEAARP COc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(OCC[NH3+])c1 ZINC000426410411 571221386 /nfs/dbraw/zinc/22/13/86/571221386.db2.gz CEIJCAAFFZUNPS-UHFFFAOYSA-N 2 0 361.486 2.123 50 0 FEAARP CCn1c(CN2CCC([NH+]3CCCCCC3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244626641 209900495 /nfs/dbraw/zinc/90/04/95/209900495.db2.gz FPQMNJJMVGCQKQ-CALCHBBNSA-N 2 0 360.550 2.343 50 0 FEAARP NC(=O)C1([NH+]2CCCCC2)CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000063847537 541188371 /nfs/dbraw/zinc/18/83/71/541188371.db2.gz HZIMAFWWNTYHDI-RBUKOAKNSA-N 2 0 362.562 2.057 50 0 FEAARP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2OCCCC[NH+]2CCOCC2)CC1 ZINC000097744597 209195004 /nfs/dbraw/zinc/19/50/04/209195004.db2.gz SEUWPAVORKYFTE-FQEVSTJZSA-N 3 0 361.530 2.491 50 0 FEAARP c1ccc(OCC[NH+]2CCCCC2)c(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097495303 209183075 /nfs/dbraw/zinc/18/30/75/209183075.db2.gz IICOJBYWPKZAIM-NRFANRHFSA-N 2 0 372.557 2.031 50 0 FEAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000072129115 541785405 /nfs/dbraw/zinc/78/54/05/541785405.db2.gz HKXBQZIQNWKYMH-NRSPTQNISA-N 2 0 359.514 2.421 50 0 FEAARP c1c(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)nn2c1C[NH2+]CCC2 ZINC000072128469 541785102 /nfs/dbraw/zinc/78/51/02/541785102.db2.gz APHNNKXSXXZCRV-OAQYLSRUSA-N 2 0 365.525 2.052 50 0 FEAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000072161939 541792219 /nfs/dbraw/zinc/79/22/19/541792219.db2.gz UMYUYCISCXKIDR-NJYVYQBISA-N 2 0 359.514 2.421 50 0 FEAARP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+]([C@@H]3CCCOC3)CC2)OC1=O ZINC000072423375 541809766 /nfs/dbraw/zinc/80/97/66/541809766.db2.gz MJPPZSOFMZXLLO-GOSISDBHSA-N 2 0 367.534 2.430 50 0 FEAARP C[NH+]1CCC(N(Cc2ccncc2)C(=O)c2ccc3c(c2)CC[NH2+]C3)CC1 ZINC000072425660 541810710 /nfs/dbraw/zinc/81/07/10/541810710.db2.gz NKRXVTFGMMVCKI-UHFFFAOYSA-N 2 0 364.493 2.464 50 0 FEAARP C[NH+](C)[C@H](CNC(=O)C1CC[NH+](C2CCOCC2)CC1)c1cccs1 ZINC000097334291 209179033 /nfs/dbraw/zinc/17/90/33/209179033.db2.gz HKGRXZQDIUJSFJ-QGZVFWFLSA-N 2 0 365.543 2.358 50 0 FEAARP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CC[NH+](CC2CCCCC2)CC1 ZINC000096133543 209117715 /nfs/dbraw/zinc/11/77/15/209117715.db2.gz CEBOLSHVRYWUTN-UHFFFAOYSA-N 2 0 374.577 2.322 50 0 FEAARP COc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(OC)c1OC ZINC000004988616 207068846 /nfs/dbraw/zinc/06/88/46/207068846.db2.gz QDFIJYOTDZMYPC-UHFFFAOYSA-N 2 0 367.534 2.418 50 0 FEAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1OCC(=O)NC(C)(C)C ZINC000010434672 207300489 /nfs/dbraw/zinc/30/04/89/207300489.db2.gz XIKIQAFTANPJFU-UHFFFAOYSA-N 2 0 363.502 2.078 50 0 FEAARP COC(C)(C)C[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012442408 207377780 /nfs/dbraw/zinc/37/77/80/207377780.db2.gz CSLBGWCDEGBNCC-GOSISDBHSA-N 2 0 350.503 2.427 50 0 FEAARP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H](Cc3ccccc3)[NH+](C)C)CC2)C[C@H](C)O1 ZINC000077287990 542362281 /nfs/dbraw/zinc/36/22/81/542362281.db2.gz DWPOGNHTYATIGS-UEXGIBASSA-N 2 0 373.541 2.260 50 0 FEAARP COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000034925615 208117023 /nfs/dbraw/zinc/11/70/23/208117023.db2.gz YQJSNAJIQYBABK-PMACEKPBSA-N 2 0 359.514 2.078 50 0 FEAARP Cc1ccccc1C[NH+]1CCC(C[N@@H+](CC(N)=O)C[C@@H]2CCCO2)CC1 ZINC000095510548 209069215 /nfs/dbraw/zinc/06/92/15/209069215.db2.gz FIIMILCFBSIRRV-FQEVSTJZSA-N 2 0 359.514 2.173 50 0 FEAARP Cc1cc(C)c2[nH+]ccc(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](O)C3)c2c1 ZINC000071405879 136138989 /nfs/dbraw/zinc/13/89/89/136138989.db2.gz HILRLVLUPQZAIR-WOJBJXKFSA-N 2 0 354.498 2.039 50 0 FEAARP Cc1cc(N2CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)CC2)nc(N)[nH+]1 ZINC000072453849 136148519 /nfs/dbraw/zinc/14/85/19/136148519.db2.gz ADZGCFHKIWFPKL-UHFFFAOYSA-N 2 0 369.513 2.393 50 0 FEAARP CC[N@@H+]1CCC[C@H]1CN(Cc1cc[nH]n1)CC1CC[NH+](CCOC)CC1 ZINC000020212167 521653197 /nfs/dbraw/zinc/65/31/97/521653197.db2.gz SSSDLTYLRNUSMN-FQEVSTJZSA-N 2 0 363.550 2.054 50 0 FEAARP CCCCc1c(C)[nH+]c(N)nc1N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000091829314 535077249 /nfs/dbraw/zinc/07/72/49/535077249.db2.gz LLTPJEQIRJFJGK-UHFFFAOYSA-N 2 0 360.550 2.174 50 0 FEAARP Cc1cc(C)c(C[N@@H+](C)CCc2cnn(C)c2)cc1CN1CC[NH+](C)CC1 ZINC000215484741 548671055 /nfs/dbraw/zinc/67/10/55/548671055.db2.gz VWHRIFZQFUYLIL-UHFFFAOYSA-N 2 0 369.557 2.459 50 0 FEAARP Cc1nnc([C@H]2CC3(C[N@@H+]2CCCO)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257177706 549712599 /nfs/dbraw/zinc/71/25/99/549712599.db2.gz XVRRFDNEBDTTSR-GOSISDBHSA-N 2 0 371.485 2.185 50 0 FEAARP C[N@H+](Cc1ccccc1NC(=O)NC[C@@]1(O)CC[NH2+]C1)C1CCCCC1 ZINC000299788312 553614674 /nfs/dbraw/zinc/61/46/74/553614674.db2.gz WLGYEWCBTAPKSL-HXUWFJFHSA-N 2 0 360.502 2.297 50 0 FEAARP Cc1nc2cc(CC(=O)N3CCCO[C@@H](C[NH+]4CCCC4)C3)ccc2[nH]1 ZINC000299793879 553614870 /nfs/dbraw/zinc/61/48/70/553614870.db2.gz INTHLKKILQJKFS-KRWDZBQOSA-N 2 0 356.470 2.127 50 0 FEAARP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000375168109 557986518 /nfs/dbraw/zinc/98/65/18/557986518.db2.gz UIOMJLDVAIUYBS-UHFFFAOYSA-N 2 0 374.529 2.397 50 0 FEAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000408523888 558685755 /nfs/dbraw/zinc/68/57/55/558685755.db2.gz OHCBUBGAWJSEBW-TYCQWZJGSA-N 2 0 364.493 2.123 50 0 FEAARP C[N@@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000670444890 571350392 /nfs/dbraw/zinc/35/03/92/571350392.db2.gz ZZKYADXTHKVIOL-OAQYLSRUSA-N 2 0 372.557 2.357 50 0 FEAARP COCC[NH2+]Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012093094 670000817 /nfs/dbraw/zinc/00/08/17/670000817.db2.gz LBDTZPLLKFKNIS-LJQANCHMSA-N 2 0 350.503 2.427 50 0 FEAARP COc1cc(C[NH2+]CCOC(C)C)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000015070272 539610813 /nfs/dbraw/zinc/61/08/13/539610813.db2.gz SZUOUQPEESZFGD-GOSISDBHSA-N 2 0 366.502 2.045 50 0 FEAARP OCC[NH+]1CCN(C2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000019868414 539670671 /nfs/dbraw/zinc/67/06/71/539670671.db2.gz STSGHVFEXNZSMH-UHFFFAOYSA-N 2 0 353.510 2.414 50 0 FEAARP O[C@@]1(C[NH+]2CCC(OCc3cccnc3)CC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063870317 541190206 /nfs/dbraw/zinc/19/02/06/541190206.db2.gz QTWMGVSTDFJDJI-NHCUHLMSSA-N 2 0 359.514 2.442 50 0 FEAARP [NH3+][C@@H]1CCC[N@H+](Cc2ccccc2OCCCC[NH+]2CCOCC2)CC1 ZINC000097744603 209194407 /nfs/dbraw/zinc/19/44/07/209194407.db2.gz SEUWPAVORKYFTE-HXUWFJFHSA-N 3 0 361.530 2.491 50 0 FEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cccc4c3OC(C)(C)C4)CC[C@H]21 ZINC000072429877 541812155 /nfs/dbraw/zinc/81/21/55/541812155.db2.gz IKNJOHMCJQUVRN-PKOBYXMFSA-N 2 0 371.525 2.432 50 0 FEAARP CN1C[C@@]2(CCC[N@H+](Cc3ccccc3OCCC[NH+](C)C)C2)OC1=O ZINC000072479598 541821498 /nfs/dbraw/zinc/82/14/98/541821498.db2.gz ALYRXZKRTFOVED-HXUWFJFHSA-N 2 0 361.486 2.434 50 0 FEAARP CCC[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000011768905 207321676 /nfs/dbraw/zinc/32/16/76/207321676.db2.gz FZWUSEVQZNHELB-LJQANCHMSA-N 2 0 364.578 2.173 50 0 FEAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCCO)C1CCCCC1 ZINC000011998518 207333570 /nfs/dbraw/zinc/33/35/70/207333570.db2.gz WKRXUGIGFMVSDU-LJQANCHMSA-N 2 0 350.503 2.163 50 0 FEAARP CC[N@H+](C)CC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095381259 209041009 /nfs/dbraw/zinc/04/10/09/209041009.db2.gz WJQKTSNBEPUFJI-CEWLAPEOSA-N 2 0 357.498 2.036 50 0 FEAARP Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)nc(N2CCCC2)[nH+]1 ZINC000095520595 209072225 /nfs/dbraw/zinc/07/22/25/209072225.db2.gz ICVZTKPOTRBYSK-IBGZPJMESA-N 2 0 367.497 2.068 50 0 FEAARP CC[NH+](CC)[C@@H]1CCN(c2nc(-c3ccccn3)nc3c2CC[NH2+]C3)C1 ZINC000091574464 542813440 /nfs/dbraw/zinc/81/34/40/542813440.db2.gz IOSRFZLTQFPJBN-OAHLLOKOSA-N 2 0 352.486 2.105 50 0 FEAARP COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)C2 ZINC000192438757 328318944 /nfs/dbraw/zinc/31/89/44/328318944.db2.gz QRVBLKOOGRTUHW-IBGZPJMESA-N 2 0 366.509 2.489 50 0 FEAARP Cc1cc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc(N2CC[NH+](C)CC2)c1 ZINC000252505146 549671094 /nfs/dbraw/zinc/67/10/94/549671094.db2.gz VPQJNOWGLQCKOP-UHFFFAOYSA-N 2 0 371.529 2.495 50 0 FEAARP CC(C)C[N@@H+]1CCCn2nc(CNC(=O)[C@H]3CCCCC[NH+]3C)cc2C1 ZINC000082138327 571165356 /nfs/dbraw/zinc/16/53/56/571165356.db2.gz GHTLOGRBAWMGIP-LJQANCHMSA-N 2 0 361.534 2.235 50 0 FEAARP Cc1c[nH+]ccc1N1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000584898143 571315735 /nfs/dbraw/zinc/31/57/35/571315735.db2.gz ISQGJJBLZMUUQJ-UHFFFAOYSA-N 2 0 371.529 2.344 50 0 FEAARP COc1cc(C[NH2+]Cc2cccnc2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011668088 539531887 /nfs/dbraw/zinc/53/18/87/539531887.db2.gz BRZKDRFZKITVKQ-IBGZPJMESA-N 2 0 373.497 2.460 50 0 FEAARP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000072308466 541798155 /nfs/dbraw/zinc/79/81/55/541798155.db2.gz LKMXHFAHFIXCAW-SFHVURJKSA-N 2 0 373.463 2.482 50 0 FEAARP COc1cc(C[NH2+]CCOC(C)C)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000015070271 211119031 /nfs/dbraw/zinc/11/90/31/211119031.db2.gz SZUOUQPEESZFGD-SFHVURJKSA-N 2 0 366.502 2.045 50 0 FEAARP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCCn3ccnc3)CC2)C1)N1CCCC1 ZINC000071762085 221369054 /nfs/dbraw/zinc/36/90/54/221369054.db2.gz RKISGYYUCAZHHV-LJQANCHMSA-N 2 0 373.545 2.072 50 0 FEAARP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000252496833 549669607 /nfs/dbraw/zinc/66/96/07/549669607.db2.gz PSRRDXUCYJKOMZ-IBGZPJMESA-N 2 0 374.529 2.172 50 0 FEAARP C[C@@H](O)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000299760623 210011359 /nfs/dbraw/zinc/01/13/59/210011359.db2.gz VVZJXVNIJSNCEF-IERDGZPVSA-N 2 0 367.493 2.142 50 0 FEAARP Cc1ccccc1OC1CCN(C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)CC1 ZINC000072421527 541809447 /nfs/dbraw/zinc/80/94/47/541809447.db2.gz ZCYNJAHGZLDKIZ-LJQANCHMSA-N 2 0 371.525 2.439 50 0 FEAARP O=C1OC2(CN1CCOc1ccccc1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC000072428167 541811905 /nfs/dbraw/zinc/81/19/05/541811905.db2.gz QAVNTTASBGFVFF-UHFFFAOYSA-N 2 0 359.470 2.104 50 0 FEAARP CC(C)C[N@H+](C)CCN1CC2(CC[NH+]([C@@H]3CCSC3)CC2)OC1=O ZINC000072480178 541821442 /nfs/dbraw/zinc/82/14/42/541821442.db2.gz LAXWRDDXIUTTFN-MRXNPFEDSA-N 2 0 355.548 2.367 50 0 FEAARP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000077353434 542371391 /nfs/dbraw/zinc/37/13/91/542371391.db2.gz HBBVGHTXMOIZBZ-UHFFFAOYSA-N 2 0 352.486 2.493 50 0 FEAARP Cc1cc(N2CCC[C@](O)(C[NH+]3CCCC3)C2)nc(N2CCCCC2)[nH+]1 ZINC000082157534 132197667 /nfs/dbraw/zinc/19/76/67/132197667.db2.gz FITBXSUDZYWJAQ-FQEVSTJZSA-N 2 0 359.518 2.202 50 0 FEAARP CO[C@H]1CCC[N@@H+](C2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)C1 ZINC000095392395 132210748 /nfs/dbraw/zinc/21/07/48/132210748.db2.gz IDRLPSYPLHUQJJ-SFHVURJKSA-N 2 0 359.518 2.465 50 0 FEAARP COc1cccc([C@H]2CN(C(=O)CC[NH+]3Cc4ccccc4C3)C[C@@H]2[NH3+])c1 ZINC000091713578 542821632 /nfs/dbraw/zinc/82/16/32/542821632.db2.gz GBCRVIYBRCICKB-RTWAWAEBSA-N 2 0 365.477 2.354 50 0 FEAARP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@@H]2CO)CC1 ZINC000092038389 542840580 /nfs/dbraw/zinc/84/05/80/542840580.db2.gz DREGSCONBYIGCK-RTBURBONSA-N 2 0 357.498 2.111 50 0 FEAARP O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000020109882 526712468 /nfs/dbraw/zinc/71/24/68/526712468.db2.gz AYZBIUUOOLMBIM-MRXNPFEDSA-N 2 0 363.527 2.357 50 0 FEAARP COc1cc(C(=O)NC(C)(C)C[NH+]2CCCCCC2)ccc1OCC[NH3+] ZINC000426589961 559738543 /nfs/dbraw/zinc/73/85/43/559738543.db2.gz KEVWGPJIDFBFNS-UHFFFAOYSA-N 2 0 363.502 2.417 50 0 FEAARP CCCC[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCSCC2)c(OC)c1 ZINC000012710492 220019726 /nfs/dbraw/zinc/01/97/26/220019726.db2.gz RBEQUUHLFWVQAN-KRWDZBQOSA-N 2 0 368.543 2.373 50 0 FEAARP CCCC[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCSCC2)c(OC)c1 ZINC000012710496 220019887 /nfs/dbraw/zinc/01/98/87/220019887.db2.gz RBEQUUHLFWVQAN-QGZVFWFLSA-N 2 0 368.543 2.373 50 0 FEAARP C(c1nnc(C2CC[NH+](C3CC[NH2+]CC3)CC2)n1C1CC1)N1CCCC1 ZINC000077320015 542366804 /nfs/dbraw/zinc/36/68/04/542366804.db2.gz BBWLBULKFDMYIF-UHFFFAOYSA-N 2 0 358.534 2.140 50 0 FEAARP CCc1cc(N2CCC([NH2+]C[C@H]3CCCN3CC)CC2)nc(N(C)C)[nH+]1 ZINC000095507642 132212810 /nfs/dbraw/zinc/21/28/10/132212810.db2.gz LCASMALYLIPERK-GOSISDBHSA-N 2 0 360.550 2.148 50 0 FEAARP [NH3+]CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)cc1 ZINC000091624694 542816693 /nfs/dbraw/zinc/81/66/93/542816693.db2.gz VOTHXHOHMJMMNK-TZIWHRDSSA-N 2 0 364.493 2.319 50 0 FEAARP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc(Cl)cc3)C[C@@H]2CO)CC1 ZINC000091713728 542821665 /nfs/dbraw/zinc/82/16/65/542821665.db2.gz KELPDLQQYPRHLN-QZTJIDSGSA-N 2 0 351.922 2.018 50 0 FEAARP Cc1ccc(-n2nc(CC3CC[NH+](C)CC3)nc2[C@@H]2C[C@@H](O)C[NH2+]2)c(C)c1 ZINC000096132777 222037689 /nfs/dbraw/zinc/03/76/89/222037689.db2.gz XPYSTDLQJREPFT-MSOLQXFVSA-N 2 0 369.513 2.164 50 0 FEAARP [NH3+]CCOc1ccc(CC(=O)NCC2([NH+]3CCCC3)CCCCC2)cc1 ZINC000426669126 263654380 /nfs/dbraw/zinc/65/43/80/263654380.db2.gz OHTOFKKIGJAAMF-UHFFFAOYSA-N 2 0 359.514 2.482 50 0 FEAARP CC(C)C[N@@H+]1CCn2nc(CNC(=O)C3([NH+]4CCCC4)CCCC3)cc2C1 ZINC000082121011 519732245 /nfs/dbraw/zinc/73/22/45/519732245.db2.gz XLBHGXNFCHHUPK-UHFFFAOYSA-N 2 0 373.545 2.380 50 0 FEAARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cccc(-c4ccco4)c3)C[C@@H]2CO)CC1 ZINC000091625771 523906749 /nfs/dbraw/zinc/90/67/49/523906749.db2.gz STFQSQVAWSZTBU-NHCUHLMSSA-N 2 0 369.509 2.234 50 0 FEAARP CN1CC[NH+]([C@H]2CCN(c3cc[nH+]c4ccccc43)C[C@H]2CCCO)CC1 ZINC000091616929 536417594 /nfs/dbraw/zinc/41/75/94/536417594.db2.gz BLFIIXCOCMZHCU-NQIIRXRSSA-N 2 0 368.525 2.450 50 0 FEAARP OCCC[N@@H+]1CCCn2ccnc2[C@@H]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000257190260 549714942 /nfs/dbraw/zinc/71/49/42/549714942.db2.gz LVBLWZXUORTNAE-FQEVSTJZSA-N 2 0 369.513 2.320 50 0 FEAARP CN1CCC(CNC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)([NH+](C)C)CC1 ZINC000426598857 559738680 /nfs/dbraw/zinc/73/86/80/559738680.db2.gz LPTGSIPIJCLLCI-QGZVFWFLSA-N 2 0 362.493 2.351 50 0 FEAARP CN1C(=O)N=NC1C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000685940404 571099749 /nfs/dbraw/zinc/09/97/49/571099749.db2.gz JJEKGMJBOFZZNB-RDTXWAMCSA-N 2 0 355.486 2.058 50 0 FEAARP CCN1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000174448222 672361231 /nfs/dbraw/zinc/36/12/31/672361231.db2.gz RYNZMHJWKJQBFK-SFHVURJKSA-N 2 0 365.905 2.141 50 0 FEAARP CN1CCCN(C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000299800430 210039100 /nfs/dbraw/zinc/03/91/00/210039100.db2.gz SKONMKDHQHHABM-OAQYLSRUSA-N 2 0 356.558 2.411 50 0 FEAARP O=C(NCCc1cccc(C(F)(F)F)c1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072165150 541794187 /nfs/dbraw/zinc/79/41/87/541794187.db2.gz HEZIBBZHGGRTKZ-OAHLLOKOSA-N 2 0 355.404 2.096 50 0 FEAARP O[C@@]1(CN2CC[NH+](CCc3ccccc3)CC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063844377 212033975 /nfs/dbraw/zinc/03/39/75/212033975.db2.gz WKSNGQHDPWVIMO-FGZHOGPDSA-N 2 0 357.542 2.226 50 0 FEAARP [NH3+]CCCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CC[C@H]21 ZINC000072463745 541818033 /nfs/dbraw/zinc/81/80/33/541818033.db2.gz GCAWEILSWLCBSN-FXAWDEMLSA-N 2 0 352.482 2.397 50 0 FEAARP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+]([C@H]3CCOC3)CC2)OC1=O ZINC000072479937 541821822 /nfs/dbraw/zinc/82/18/22/541821822.db2.gz SYQNKRCRONAZMR-KRWDZBQOSA-N 2 0 353.507 2.040 50 0 FEAARP C[C@@H](C1CC[NH+](Cc2ccc(OCC(N)=O)c(Cl)c2)CC1)[NH+](C)C ZINC000077454633 542384590 /nfs/dbraw/zinc/38/45/90/542384590.db2.gz CNPRISWFZGABLD-ZDUSSCGKSA-N 2 0 353.894 2.366 50 0 FEAARP Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000071753021 221364226 /nfs/dbraw/zinc/36/42/26/221364226.db2.gz YUWZCCMOFBYQDM-QGZVFWFLSA-N 2 0 361.534 2.261 50 0 FEAARP Cc1cccc(N2CCN(C(=O)[C@@H]3CC4(C[N@H+]3C)CC[NH2+]CC4)CC2)c1C ZINC000072410929 136145437 /nfs/dbraw/zinc/14/54/37/136145437.db2.gz YFIYFQPPGCBDSC-FQEVSTJZSA-N 2 0 370.541 2.026 50 0 FEAARP C[N@H+](CCCO)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095500433 542973939 /nfs/dbraw/zinc/97/39/39/542973939.db2.gz MWXTXQIEGGFQAU-LJQANCHMSA-N 2 0 350.503 2.117 50 0 FEAARP c1ccc(OCC[NH+]2CCCCC2)c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097495298 222185715 /nfs/dbraw/zinc/18/57/15/222185715.db2.gz IICOJBYWPKZAIM-OAQYLSRUSA-N 2 0 372.557 2.031 50 0 FEAARP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000101385259 222273505 /nfs/dbraw/zinc/27/35/05/222273505.db2.gz SUXPSJLNGRLVJE-UXHICEINSA-N 2 0 354.498 2.479 50 0 FEAARP C[NH+]1CCC(N2CCN(Cc3ccc(F)cc3Cl)C[C@H]2CCO)CC1 ZINC000104402842 222358409 /nfs/dbraw/zinc/35/84/09/222358409.db2.gz WZZUYULGOGSGTR-GOSISDBHSA-N 2 0 369.912 2.442 50 0 FEAARP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1(C)C ZINC000262894965 328898365 /nfs/dbraw/zinc/89/83/65/328898365.db2.gz OYDGIBUJZBVTLU-OPYAIIAOSA-N 2 0 355.482 2.488 50 0 FEAARP CCC[N@@H+]1CCCn2nc(CNC(=O)[C@H]([NH2+]C)c3ccccc3)cc2C1 ZINC000082147941 519855540 /nfs/dbraw/zinc/85/55/40/519855540.db2.gz OTLZOPNCSBXLCA-LJQANCHMSA-N 2 0 355.486 2.076 50 0 FEAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000172791983 546267904 /nfs/dbraw/zinc/26/79/04/546267904.db2.gz ATWOVXPUPSYYAA-WMZOPIPTSA-N 2 0 369.550 2.268 50 0 FEAARP C[NH+]1CCN(CCCOc2ccccc2C[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000215258880 548669229 /nfs/dbraw/zinc/66/92/29/548669229.db2.gz BWIHFGUGZZNUND-HXUWFJFHSA-N 2 0 361.530 2.050 50 0 FEAARP COc1cccc(F)c1CN1CCCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000221244158 548703913 /nfs/dbraw/zinc/70/39/13/548703913.db2.gz RWCSXCFAFQIWFW-GOSISDBHSA-N 2 0 362.449 2.032 50 0 FEAARP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262674815 549837428 /nfs/dbraw/zinc/83/74/28/549837428.db2.gz RALBPLUQMHSEPT-HBGVWJBISA-N 2 0 371.525 2.180 50 0 FEAARP C[NH+](CCN1CCO[C@@H]2CCCC[C@@H]21)CCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000221948607 210173869 /nfs/dbraw/zinc/17/38/69/210173869.db2.gz MARNIHIDPVBCJS-UWHLTILDSA-N 2 0 365.562 2.205 50 0 FEAARP COc1ccc(C[NH2+]CCSC)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012475103 539562181 /nfs/dbraw/zinc/56/21/81/539562181.db2.gz TVUQEGCEGCGKHS-QGZVFWFLSA-N 2 0 368.543 2.373 50 0 FEAARP C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccc(CC3CC[NH2+]CC3)c2)CC1 ZINC000072144883 541788060 /nfs/dbraw/zinc/78/80/60/541788060.db2.gz HEICXTBCQUENRV-JOCHJYFZSA-N 2 0 373.541 2.148 50 0 FEAARP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000072312741 541799090 /nfs/dbraw/zinc/79/90/90/541799090.db2.gz CFVLQHHLWALZAP-FGTMMUONSA-N 2 0 351.535 2.257 50 0 FEAARP CCN(CCNC(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2)c1cccc(C)c1 ZINC000072410975 541807671 /nfs/dbraw/zinc/80/76/71/541807671.db2.gz UUEGJTRJWGDFMV-LJQANCHMSA-N 2 0 358.530 2.011 50 0 FEAARP CCc1cccc(OCCN(C)C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c1 ZINC000072418819 541808159 /nfs/dbraw/zinc/80/81/59/541808159.db2.gz OMWPCPHBQBZABG-LJQANCHMSA-N 2 0 359.514 2.160 50 0 FEAARP C[C@@H](C[N@@H+]1CCc2ccccc2C1)n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072457532 541817077 /nfs/dbraw/zinc/81/70/77/541817077.db2.gz DLTYECSXVSQWKI-INIZCTEOSA-N 2 0 362.481 2.469 50 0 FEAARP C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1=O ZINC000074215966 542053627 /nfs/dbraw/zinc/05/36/27/542053627.db2.gz XEGZLZFNNMALDM-SFHVURJKSA-N 2 0 372.513 2.021 50 0 FEAARP CCN1CCC[C@H]1C[N@H+](CC1CC[NH+](CCOC)CC1)CC(C)(C)CO ZINC000020779818 211296188 /nfs/dbraw/zinc/29/61/88/211296188.db2.gz COYQAICJGATTEW-FQEVSTJZSA-N 2 0 369.594 2.150 50 0 FEAARP O=C(NCc1ccccn1)C1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC000071767818 221372770 /nfs/dbraw/zinc/37/27/70/221372770.db2.gz XOLUYFXFJKZCAE-UHFFFAOYSA-N 2 0 356.514 2.284 50 0 FEAARP C[N@H+](CCO)C[C@@H]1C[NH+](Cc2ccccc2-c2ccccc2)C[C@@H]1CO ZINC000091808417 542826592 /nfs/dbraw/zinc/82/65/92/542826592.db2.gz VDSYORDZBYVPSI-NHCUHLMSSA-N 2 0 354.494 2.318 50 0 FEAARP CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000108395601 543288874 /nfs/dbraw/zinc/28/88/74/543288874.db2.gz BWCRJRATABFZQV-VQTJNVASSA-N 2 0 360.546 2.212 50 0 FEAARP C[NH2+][C@@H](C)c1nc(Cc2ccc(OC)c(OC)c2)nn1C1CC[NH+](C)CC1 ZINC000096148934 222049972 /nfs/dbraw/zinc/04/99/72/222049972.db2.gz QQBHAEQGGUWMAI-AWEZNQCLSA-N 2 0 373.501 2.433 50 0 FEAARP [NH3+]C[C@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccc2ccccc2c1 ZINC000262741691 328885870 /nfs/dbraw/zinc/88/58/70/328885870.db2.gz JCFOFTVTOIQJLI-QUCCMNQESA-N 2 0 363.465 2.391 50 0 FEAARP CC[NH+]1CCN(CCOc2ccc(C[N@@H+]3CCC[C@@](C)(O)C3)cc2)CC1 ZINC000216394333 521683447 /nfs/dbraw/zinc/68/34/47/521683447.db2.gz VXDKDHXKMJSCCR-OAQYLSRUSA-N 2 0 361.530 2.050 50 0 FEAARP C[NH+]1CCN(CCCOc2ccccc2C[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000215258832 548670027 /nfs/dbraw/zinc/67/00/27/548670027.db2.gz BWIHFGUGZZNUND-FQEVSTJZSA-N 2 0 361.530 2.050 50 0 FEAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237431754 548826455 /nfs/dbraw/zinc/82/64/55/548826455.db2.gz GSABEQFFZXQTPV-SFHLNBCPSA-N 2 0 372.557 2.484 50 0 FEAARP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238159486 548880547 /nfs/dbraw/zinc/88/05/47/548880547.db2.gz RALBPLUQMHSEPT-NDXORKPFSA-N 2 0 371.525 2.180 50 0 FEAARP Cc1c[nH+]ccc1N1CCN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000426518831 559736728 /nfs/dbraw/zinc/73/67/28/559736728.db2.gz ROLIXVSXOFLKDU-SFHVURJKSA-N 2 0 359.518 2.200 50 0 FEAARP Cc1ncc2c(c1CNC(=O)c1ccccc1[C@@H]1CC[NH2+]C1)CC[NH2+]C2 ZINC000072161260 541792685 /nfs/dbraw/zinc/79/26/85/541792685.db2.gz QCMQMSANNXKPAL-OAHLLOKOSA-N 2 0 350.466 2.043 50 0 FEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CC[C@H]21 ZINC000072439541 541815193 /nfs/dbraw/zinc/81/51/93/541815193.db2.gz MXJSZRHDOGQDCI-FXAWDEMLSA-N 2 0 352.482 2.267 50 0 FEAARP CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2cccc(CC[NH3+])c2)CC1 ZINC000077406207 542378545 /nfs/dbraw/zinc/37/85/45/542378545.db2.gz NWSLYORPTPGGFP-UHFFFAOYSA-N 2 0 370.545 2.240 50 0 FEAARP [NH3+][C@@H](C(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccccc1 ZINC000077564160 542398105 /nfs/dbraw/zinc/39/81/05/542398105.db2.gz CIBZSTFDKGUDDM-HXUWFJFHSA-N 2 0 367.497 2.348 50 0 FEAARP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000067871380 221298651 /nfs/dbraw/zinc/29/86/51/221298651.db2.gz HNPXACZBELUAKA-ZAAXVRCTSA-N 2 0 354.498 2.418 50 0 FEAARP O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000095362893 132208136 /nfs/dbraw/zinc/20/81/36/132208136.db2.gz DTDQKRPZRIIDOP-UHFFFAOYSA-N 2 0 354.454 2.235 50 0 FEAARP Cc1cc(N2CC[NH+](C[C@@H](C)Cc3ccc4c(c3)OCO4)CC2)nc(N)[nH+]1 ZINC000215914928 132270680 /nfs/dbraw/zinc/27/06/80/132270680.db2.gz GLSNHEYEJJWFCT-AWEZNQCLSA-N 2 0 369.469 2.097 50 0 FEAARP C[N@H+](CCO)Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095497088 542973341 /nfs/dbraw/zinc/97/33/41/542973341.db2.gz OGFKFUIEQNALNV-SFHVURJKSA-N 2 0 370.921 2.380 50 0 FEAARP CC[NH+](C)C[C@H]1CCN(c2nccnc2N2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000095997134 542986125 /nfs/dbraw/zinc/98/61/25/542986125.db2.gz MTFBSGFRQJBXLS-QZTJIDSGSA-N 2 0 360.550 2.033 50 0 FEAARP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000097358398 222176857 /nfs/dbraw/zinc/17/68/57/222176857.db2.gz BLBUSCOFWFCHSY-IBGZPJMESA-N 2 0 368.566 2.297 50 0 FEAARP Cc1ncc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@@H]3CO)n1C ZINC000097797398 222212950 /nfs/dbraw/zinc/21/29/50/222212950.db2.gz ZNRROXCQAUGIMK-LJQANCHMSA-N 2 0 372.513 2.418 50 0 FEAARP CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3cccc(C)c3)C[C@H]2C(=O)NC)CC1 ZINC000020455547 519844527 /nfs/dbraw/zinc/84/45/27/519844527.db2.gz YBQLOUXCPCBPKV-CTNGQTDRSA-N 2 0 372.557 2.148 50 0 FEAARP CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)CN(C)C1CC[NH+](C)CC1 ZINC000221271134 548703984 /nfs/dbraw/zinc/70/39/84/548703984.db2.gz MMOYVUKMLCUPIF-UHFFFAOYSA-N 2 0 355.486 2.061 50 0 FEAARP Cc1nnc([C@H]2CC3(C[N@@H+]2CCc2ccccc2)CC[NH+](CCO)CC3)o1 ZINC000257190574 549714414 /nfs/dbraw/zinc/71/44/14/549714414.db2.gz MYTWFWWEEZFAFG-LJQANCHMSA-N 2 0 370.497 2.442 50 0 FEAARP c1ccc2c(c1)NCC[NH2+]CCNc1ccccc1OCC[NH2+]CCO2 ZINC000005391047 539409967 /nfs/dbraw/zinc/40/99/67/539409967.db2.gz CWKWABLMCSSKHI-UHFFFAOYSA-N 2 0 356.470 2.161 50 0 FEAARP CCCC[N@@H+]1CCn2nc(CNC(=O)C[NH+]3CCCC[C@H]3CC)cc2C1 ZINC000299760983 210010532 /nfs/dbraw/zinc/01/05/32/210010532.db2.gz QJJNLYHNRIDFTG-GOSISDBHSA-N 2 0 361.534 2.380 50 0 FEAARP C[N@H+](CCc1ccccc1)C1(C(=O)NCCC[NH3+])Cc2ccccc2C1 ZINC000072154405 541791064 /nfs/dbraw/zinc/79/10/64/541791064.db2.gz ZNRHECAYCKYJBI-UHFFFAOYSA-N 2 0 351.494 2.164 50 0 FEAARP C[N@H+](CCc1ccccc1)C1(C(=O)N[C@@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000072161529 541792079 /nfs/dbraw/zinc/79/20/79/541792079.db2.gz CWGAPYNSADUTOL-OAQYLSRUSA-N 2 0 363.505 2.177 50 0 FEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1ccc(O)cc1)CC[NH+](C)CC2 ZINC000072407142 541805701 /nfs/dbraw/zinc/80/57/01/541805701.db2.gz FRMDHYGMVHBDTG-LJQANCHMSA-N 2 0 359.514 2.247 50 0 FEAARP C[C@H](C[N@@H+]1CCc2ccccc2C1)n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072457535 541817142 /nfs/dbraw/zinc/81/71/42/541817142.db2.gz DLTYECSXVSQWKI-MRXNPFEDSA-N 2 0 362.481 2.469 50 0 FEAARP Cc1nc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc(C2CC[NH2+]CC2)n1 ZINC000067964951 221309184 /nfs/dbraw/zinc/30/91/84/221309184.db2.gz UVSPRPGETARMJY-SFHVURJKSA-N 2 0 359.518 2.307 50 0 FEAARP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc2n(n1)CCC[NH+](CC(C)C)C2 ZINC000082157670 542686008 /nfs/dbraw/zinc/68/60/08/542686008.db2.gz DXWFHIACRZVYHN-LJQANCHMSA-N 2 0 361.534 2.235 50 0 FEAARP Cc1cc(N2CCC([N@H+](C)Cc3ccc4nsnc4c3)CC2)nc(N)[nH+]1 ZINC000095370165 132208675 /nfs/dbraw/zinc/20/86/75/132208675.db2.gz GSNWLYOPKWTLMN-UHFFFAOYSA-N 2 0 369.498 2.473 50 0 FEAARP Cc1cc(N2CCN(C[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000299794473 132300321 /nfs/dbraw/zinc/30/03/21/132300321.db2.gz KSIQPXZLMFGRKA-LJQANCHMSA-N 2 0 366.513 2.154 50 0 FEAARP COCC[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095500294 542974532 /nfs/dbraw/zinc/97/45/32/542974532.db2.gz AORJXSZNEWEWES-IBGZPJMESA-N 2 0 350.503 2.381 50 0 FEAARP CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000230247859 548759956 /nfs/dbraw/zinc/75/99/56/548759956.db2.gz BWCRJRATABFZQV-WOJBJXKFSA-N 2 0 360.546 2.212 50 0 FEAARP Cc1nn(C)c(C)c1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420561 210139490 /nfs/dbraw/zinc/13/94/90/210139490.db2.gz SMVINDHISVUMBE-IBGZPJMESA-N 2 0 369.513 2.024 50 0 FEAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)s1 ZINC000058174050 540831410 /nfs/dbraw/zinc/83/14/10/540831410.db2.gz OIPZVWXPABCLMD-OAHLLOKOSA-N 2 0 359.561 2.093 50 0 FEAARP COC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c[nH]1 ZINC000075108874 542152631 /nfs/dbraw/zinc/15/26/31/542152631.db2.gz MHJGKVXBESCTLU-UHFFFAOYSA-N 2 0 357.454 2.048 50 0 FEAARP CCn1c(=O)n(CC[NH+](C)C)nc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067895437 221303050 /nfs/dbraw/zinc/30/30/50/221303050.db2.gz XMCDXZFTCKUTSF-SFHVURJKSA-N 2 0 357.502 2.006 50 0 FEAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC(C)(C)[N@H+](C)C[C@@H]3C)cnn2c1 ZINC000067966310 221309389 /nfs/dbraw/zinc/30/93/89/221309389.db2.gz UFDJDYCXXMNTFL-HNNXBMFYSA-N 2 0 372.517 2.126 50 0 FEAARP c1coc(-c2nc3c(c(N4CC[N@H+]5CCCC[C@H]5C4)n2)CC[NH2+]CC3)c1 ZINC000230072973 132288789 /nfs/dbraw/zinc/28/87/89/132288789.db2.gz KZEWPLXBMLYMPY-HNNXBMFYSA-N 2 0 353.470 2.099 50 0 FEAARP c1ccc(N2CC[NH+](CCN3CCC([NH+]4CCSCC4)CC3)CC2)cc1 ZINC000244692017 132290279 /nfs/dbraw/zinc/29/02/79/132290279.db2.gz JMZFPFAZZGEHBX-UHFFFAOYSA-N 2 0 374.598 2.322 50 0 FEAARP c1ccc([C@H]2CN(c3nc(-c4cccnc4)nc4c3C[NH2+]C4)CC[NH2+]2)cc1 ZINC000072160931 136143393 /nfs/dbraw/zinc/14/33/93/136143393.db2.gz XFMUGHXIALRPHG-LJQANCHMSA-N 2 0 358.449 2.293 50 0 FEAARP Cc1cc(C)cc(-n2nc(CC3CC[NH+](C)CC3)nc2[C@@H]2C[NH2+]CCO2)c1 ZINC000096131804 222036700 /nfs/dbraw/zinc/03/67/00/222036700.db2.gz WAVCPCYMXZXFSF-IBGZPJMESA-N 2 0 369.513 2.429 50 0 FEAARP CC[NH+]1CCN(CCOc2ccc(C[N@@H+]3CCCO[C@@H](C)C3)cc2)CC1 ZINC000215119386 548668676 /nfs/dbraw/zinc/66/86/76/548668676.db2.gz OMDZEPFEHWEPFH-IBGZPJMESA-N 2 0 361.530 2.314 50 0 FEAARP C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)CCN2CC[NH+](C)CC2)cc1 ZINC000219726323 548696000 /nfs/dbraw/zinc/69/60/00/548696000.db2.gz HKNIKSUWJSYTIT-FQEVSTJZSA-N 2 0 358.530 2.049 50 0 FEAARP CC1CC[NH+](Cc2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)CC1 ZINC000044913806 540144895 /nfs/dbraw/zinc/14/48/95/540144895.db2.gz YMVPZCRIELCLPC-UHFFFAOYSA-N 2 0 372.557 2.286 50 0 FEAARP Cc1ccc(-c2nc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs2)o1 ZINC000072255159 541796936 /nfs/dbraw/zinc/79/69/36/541796936.db2.gz VPPUTHUMAYJJSL-UHFFFAOYSA-N 2 0 350.488 2.277 50 0 FEAARP COc1ccccc1/C=C/C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1 ZINC000072409863 541806313 /nfs/dbraw/zinc/80/63/13/541806313.db2.gz SSNKEHFSVPUBPX-BBDZXRDTSA-N 2 0 357.498 2.370 50 0 FEAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccncc3)C2)CC1 ZINC000019220697 220240547 /nfs/dbraw/zinc/24/05/47/220240547.db2.gz GVEJTRJPULIRCA-IBGZPJMESA-N 2 0 358.530 2.325 50 0 FEAARP Cc1[nH+]c(N(C)C)nc(N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)c1C ZINC000095505585 132212647 /nfs/dbraw/zinc/21/26/47/132212647.db2.gz WPHKLEKKQICUGF-QGZVFWFLSA-N 2 0 371.533 2.302 50 0 FEAARP OC[C@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C[NH+]1CCCC1 ZINC000091848933 542828370 /nfs/dbraw/zinc/82/83/70/542828370.db2.gz OHISPUVYTUFACP-NHCUHLMSSA-N 2 0 357.542 2.287 50 0 FEAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cc(C)no1)C2 ZINC000095371613 542962568 /nfs/dbraw/zinc/96/25/68/542962568.db2.gz KAHPSHWVJAUMFL-GGPKGHCWSA-N 2 0 363.502 2.322 50 0 FEAARP CC[NH+](CC)CC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095387493 542966923 /nfs/dbraw/zinc/96/69/23/542966923.db2.gz QIOYQKYQFFWVCI-KSEOMHKRSA-N 2 0 371.525 2.426 50 0 FEAARP NC(=O)C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095505473 542976508 /nfs/dbraw/zinc/97/65/08/542976508.db2.gz FSRWCUHZEUBRQX-GOSISDBHSA-N 2 0 363.477 2.004 50 0 FEAARP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1(C)C ZINC000262894962 328898358 /nfs/dbraw/zinc/89/83/58/328898358.db2.gz OYDGIBUJZBVTLU-DBXWQHBBSA-N 2 0 355.482 2.488 50 0 FEAARP CCc1cc(NCc2cc3n(n2)CCC[NH2+]C3)nc(N2CCCCC2)[nH+]1 ZINC000082096743 523822862 /nfs/dbraw/zinc/82/28/62/523822862.db2.gz VOTMVMRENYHVBT-UHFFFAOYSA-N 2 0 355.490 2.331 50 0 FEAARP COCC[NH+]1CCC(C[NH+]2CCN(c3ncnc4ccccc43)CC2)CC1 ZINC000072151001 536857655 /nfs/dbraw/zinc/85/76/55/536857655.db2.gz FQSDPLKIFZDRDW-UHFFFAOYSA-N 2 0 369.513 2.110 50 0 FEAARP COCCN(C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1)C1CC[NH+](C)CC1 ZINC000215353244 548671334 /nfs/dbraw/zinc/67/13/34/548671334.db2.gz FOGBBCAFBRAYHR-LJQANCHMSA-N 2 0 359.514 2.336 50 0 FEAARP COc1ccc(C[NH2+]C2CCOCC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012470143 220000683 /nfs/dbraw/zinc/00/06/83/220000683.db2.gz RREWBJKIWIHCDL-GOSISDBHSA-N 2 0 366.502 2.044 50 0 FEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)CC[C@H]21 ZINC000072424712 541810140 /nfs/dbraw/zinc/81/01/40/541810140.db2.gz DOPAVQOIOYMBGW-DOTOQJQBSA-N 2 0 367.440 2.320 50 0 FEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCOc1ccccc1)CC[NH+](C)CC2 ZINC000072470091 541818487 /nfs/dbraw/zinc/81/84/87/541818487.db2.gz UYPLEHAYDFKBNO-LJQANCHMSA-N 2 0 359.514 2.378 50 0 FEAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCC3(O)CCCCC3)C2)CC1 ZINC000012715700 220020906 /nfs/dbraw/zinc/02/09/06/220020906.db2.gz IVQBZHVUWVFLGQ-GOSISDBHSA-N 2 0 365.562 2.383 50 0 FEAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCOC(C)C)cc1OC ZINC000012711101 220018899 /nfs/dbraw/zinc/01/88/99/220018899.db2.gz XFABQJPTVUBBLZ-SFHVURJKSA-N 2 0 368.518 2.291 50 0 FEAARP CCc1cc(N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC)nc(N(C)C)[nH+]1 ZINC000091974100 132204929 /nfs/dbraw/zinc/20/49/29/132204929.db2.gz OHXCGXTYJGJASD-UHFFFAOYSA-N 2 0 369.517 2.202 50 0 FEAARP C[NH+](C)CCO[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ccccc2F)CC1 ZINC000223570195 132279601 /nfs/dbraw/zinc/27/96/01/132279601.db2.gz ACWQIPHMFMHEGK-UYAOXDASSA-N 2 0 365.493 2.120 50 0 FEAARP COc1cc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)ccc1F ZINC000092065503 542842133 /nfs/dbraw/zinc/84/21/33/542842133.db2.gz RJDUJIGCIGJBEZ-HXUWFJFHSA-N 2 0 366.477 2.130 50 0 FEAARP C[N@H+](CCO)Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095497087 542973274 /nfs/dbraw/zinc/97/32/74/542973274.db2.gz OGFKFUIEQNALNV-GOSISDBHSA-N 2 0 370.921 2.380 50 0 FEAARP O=C(CC[NH+]1CCCCCCC1)N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095501346 542975430 /nfs/dbraw/zinc/97/54/30/542975430.db2.gz CRGLFVQOMLCXRM-NRFANRHFSA-N 2 0 373.541 2.348 50 0 FEAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000263338112 524655521 /nfs/dbraw/zinc/65/55/21/524655521.db2.gz ODSKVVCBQSVGLX-NSHGMRRFSA-N 2 0 358.530 2.094 50 0 FEAARP COc1ccc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)cc1C[NH+]1CCCC1 ZINC000214997780 548668293 /nfs/dbraw/zinc/66/82/93/548668293.db2.gz IGDXFTLYNVKAGN-LJQANCHMSA-N 2 0 360.498 2.407 50 0 FEAARP CC[NH+]1CCN(CCOc2ccc(C[N@@H+]3CCCO[C@H](C)C3)cc2)CC1 ZINC000215119342 548668421 /nfs/dbraw/zinc/66/84/21/548668421.db2.gz OMDZEPFEHWEPFH-LJQANCHMSA-N 2 0 361.530 2.314 50 0 FEAARP Cc1nnc([C@@H]2CC3(CN2Cc2cccnc2)CC[NH+](CCCO)CC3)o1 ZINC000257191000 549714549 /nfs/dbraw/zinc/71/45/49/549714549.db2.gz OQIMGINRCNGJME-SFHVURJKSA-N 2 0 371.485 2.185 50 0 FEAARP COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3cc(N)cc[nH+]3)cc2)C1 ZINC000426370401 571216130 /nfs/dbraw/zinc/21/61/30/571216130.db2.gz YJPKLTDSUGKXAK-HNNXBMFYSA-N 2 0 354.454 2.029 50 0 FEAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)s1 ZINC000058174052 540831550 /nfs/dbraw/zinc/83/15/50/540831550.db2.gz OIPZVWXPABCLMD-HNNXBMFYSA-N 2 0 359.561 2.093 50 0 FEAARP COc1cc(C[NH2+]CC(C)(C)OC)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012573869 220008106 /nfs/dbraw/zinc/00/81/06/220008106.db2.gz DZWMUZXNRBVKQK-KRWDZBQOSA-N 2 0 366.502 2.045 50 0 FEAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000072171204 541796075 /nfs/dbraw/zinc/79/60/75/541796075.db2.gz ZZCXPDSXIYRBFF-KRWDZBQOSA-N 2 0 372.900 2.438 50 0 FEAARP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+](C[C@@H]3CCOC3)CC2)OC1=O ZINC000072469458 541818972 /nfs/dbraw/zinc/81/89/72/541818972.db2.gz MQDXXZVWESSHCL-SFHVURJKSA-N 2 0 367.534 2.288 50 0 FEAARP CC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)C[NH+]3CCCC3)CC2)[C@H]1O ZINC000020538112 220333808 /nfs/dbraw/zinc/33/38/08/220333808.db2.gz WUJIVUZDIZLMSK-RTWAWAEBSA-N 2 0 371.525 2.010 50 0 FEAARP CC(C)[NH+]1CCC([C@H]2[NH2+][C@@H](CO)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000065428841 221219203 /nfs/dbraw/zinc/21/92/03/221219203.db2.gz NJCJLDQKJDJXJF-LNRXMEIDSA-N 3 0 357.542 2.188 50 0 FEAARP CCCOc1ccccc1CCCNC(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072146477 221424508 /nfs/dbraw/zinc/42/45/08/221424508.db2.gz OLAVUSCADFQEOH-SFHVURJKSA-N 2 0 359.514 2.256 50 0 FEAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC2(C=Cc3ccccc32)CC1 ZINC000072161670 221436886 /nfs/dbraw/zinc/43/68/86/221436886.db2.gz RLTIRGVWMPBAGM-LJQANCHMSA-N 2 0 351.494 2.305 50 0 FEAARP Cc1cc(N2CCC([NH2+][C@H]3Cc4ccccc4[C@@H]3N)CC2)nc(N(C)C)[nH+]1 ZINC000095388996 132210524 /nfs/dbraw/zinc/21/05/24/132210524.db2.gz JCFRAHGADGRDHR-ICSRJNTNSA-N 2 0 366.513 2.034 50 0 FEAARP CCc1cc(N2CCC([NH2+][C@@H]3CC[C@@H]([NH3+])C3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095502317 132212186 /nfs/dbraw/zinc/21/21/86/132212186.db2.gz VXZGTCHAIAXDDT-CRAIPNDOSA-N 3 0 358.534 2.077 50 0 FEAARP CCc1cc(N2CCC([NH2+]Cc3[nH]nc4c3CCC4)CC2)nc(N(C)C)[nH+]1 ZINC000095510235 132213223 /nfs/dbraw/zinc/21/32/23/132213223.db2.gz IBMWSNGTOOLCNK-UHFFFAOYSA-N 2 0 369.517 2.075 50 0 FEAARP COCC[N@H+](C)C[C@@H]1CN(c2cc[nH+]c3c(C)c(C)ccc23)C[C@@H]1CO ZINC000091952043 542833906 /nfs/dbraw/zinc/83/39/06/542833906.db2.gz ZERCFRXRUUAWGA-QZTJIDSGSA-N 2 0 357.498 2.475 50 0 FEAARP c1cc(CN2CCOCC2)cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000065420452 136136396 /nfs/dbraw/zinc/13/63/96/136136396.db2.gz PDLQZLYAZABOSA-UHFFFAOYSA-N 2 0 352.482 2.236 50 0 FEAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2CO)CC1 ZINC000095353459 542957433 /nfs/dbraw/zinc/95/74/33/542957433.db2.gz UAZMHMGVIZAQJU-FMEUAVTJSA-N 2 0 361.505 2.017 50 0 FEAARP C[NH+]1CCC(C)(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000426369165 263567029 /nfs/dbraw/zinc/56/70/29/263567029.db2.gz JGMYCPGMAIFFSO-IBGZPJMESA-N 2 0 359.514 2.126 50 0 FEAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2CO)CC1 ZINC000091636184 521686140 /nfs/dbraw/zinc/68/61/40/521686140.db2.gz CXSZVNLCJWVGLB-QZTJIDSGSA-N 2 0 351.922 2.018 50 0 FEAARP Nc1nc(C2CC([NH3+])C2)cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000222464558 548708904 /nfs/dbraw/zinc/70/89/04/548708904.db2.gz HFQUATBKSFNIHR-UHFFFAOYSA-N 2 0 370.476 2.115 50 0 FEAARP [NH3+][C@H]1C[C@@H](c2cc(N3CCC[N@@H+](C4Cc5ccccc5C4)CC3)ncn2)C1 ZINC000244626820 548891901 /nfs/dbraw/zinc/89/19/01/548891901.db2.gz FTHYWNOYQJJHRQ-KDURUIRLSA-N 2 0 363.509 2.361 50 0 FEAARP [NH3+]CCOc1ccc(F)cc1C(=O)NC1CC[NH+](Cc2ccco2)CC1 ZINC000426551758 559737658 /nfs/dbraw/zinc/73/76/58/559737658.db2.gz GMNUGZFMHPTBKW-UHFFFAOYSA-N 2 0 361.417 2.151 50 0 FEAARP COc1ccc(C(=O)N(C)Cc2ccc3c(c2)C[N@@H+](C)C3)cc1OCC[NH3+] ZINC000426443464 571225976 /nfs/dbraw/zinc/22/59/76/571225976.db2.gz VFUAYBYKUDVGCE-UHFFFAOYSA-N 2 0 369.465 2.250 50 0 FEAARP O=C(NCCc1cccc(C(F)(F)F)c1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072165149 541794443 /nfs/dbraw/zinc/79/44/43/541794443.db2.gz HEZIBBZHGGRTKZ-HNNXBMFYSA-N 2 0 355.404 2.096 50 0 FEAARP CCc1ccccc1OCCN(C)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072448327 541815946 /nfs/dbraw/zinc/81/59/46/541815946.db2.gz FWZIBKYWQUIZPZ-GOSISDBHSA-N 2 0 359.514 2.160 50 0 FEAARP COCc1nc(C2CC([NH3+])C2)cc(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000220140730 132275620 /nfs/dbraw/zinc/27/56/20/132275620.db2.gz ZCGPWMKCKRNFGX-UHFFFAOYSA-N 2 0 359.518 2.282 50 0 FEAARP CC[N@@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000253417908 132293765 /nfs/dbraw/zinc/29/37/65/132293765.db2.gz LDNJUKBMDLYHBR-LJQANCHMSA-N 2 0 358.530 2.141 50 0 FEAARP C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000095373333 542963531 /nfs/dbraw/zinc/96/35/31/542963531.db2.gz ZCSVHMZGABLNRJ-IBGZPJMESA-N 2 0 369.513 2.241 50 0 FEAARP C[NH+](C)[C@H]1CCCN(c2ncnc3c2CC[N@H+](Cc2ccco2)CC3)C1 ZINC000072454149 136148514 /nfs/dbraw/zinc/14/85/14/136148514.db2.gz AUABMFVOOKKUSB-INIZCTEOSA-N 2 0 355.486 2.201 50 0 FEAARP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1(C)C ZINC000262894971 328898316 /nfs/dbraw/zinc/89/83/16/328898316.db2.gz OYDGIBUJZBVTLU-WAOWUJCRSA-N 2 0 355.482 2.488 50 0 FEAARP Cc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)cc1C ZINC000091664733 524264250 /nfs/dbraw/zinc/26/42/50/524264250.db2.gz MWPYIGNNTVSURT-FGZHOGPDSA-N 2 0 360.542 2.356 50 0 FEAARP c1ccc(C[NH+]2CCC(N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+]3CCCC3)CC2)cc1 ZINC000218921912 548691590 /nfs/dbraw/zinc/69/15/90/548691590.db2.gz LUBLYSLJQYKENR-CIAFKFPVSA-N 2 0 355.526 2.492 50 0 FEAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000225413938 548733491 /nfs/dbraw/zinc/73/34/91/548733491.db2.gz ATWOVXPUPSYYAA-FUHWJXTLSA-N 2 0 369.550 2.268 50 0 FEAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000246495094 549146483 /nfs/dbraw/zinc/14/64/83/549146483.db2.gz ATWOVXPUPSYYAA-SJLPKXTDSA-N 2 0 369.550 2.268 50 0 FEAARP CCn1c(CN(C)Cc2cccc(-n3cccn3)c2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252537039 549673217 /nfs/dbraw/zinc/67/32/17/549673217.db2.gz KEWLTXYYWVXOKT-CALCHBBNSA-N 2 0 365.485 2.320 50 0 FEAARP O=C1[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000252569088 549674869 /nfs/dbraw/zinc/67/48/69/549674869.db2.gz VYQAIBMJIACFCN-MJSCVDMRSA-N 2 0 361.436 2.486 50 0 FEAARP CC[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC[C@H]1[NH3+] ZINC000253370457 549684589 /nfs/dbraw/zinc/68/45/89/549684589.db2.gz RDLFOMPUFCHVNJ-QFBILLFUSA-N 2 0 365.543 2.207 50 0 FEAARP [NH3+]C[C@@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccc2ccccc2c1 ZINC000262741688 549845040 /nfs/dbraw/zinc/84/50/40/549845040.db2.gz JCFOFTVTOIQJLI-AZUAARDMSA-N 2 0 363.465 2.391 50 0 FEAARP C[N@@H+]1CC[C@@H](CNC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000426582762 559738291 /nfs/dbraw/zinc/73/82/91/559738291.db2.gz GLIZPMOZANZXFO-IBGZPJMESA-N 2 0 358.530 2.287 50 0 FEAARP CCN(CC[NH+]1CCCCCC1)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426420043 571222643 /nfs/dbraw/zinc/22/26/43/571222643.db2.gz UYXRTIRWZGJMQP-SFHVURJKSA-N 2 0 361.534 2.075 50 0 FEAARP COc1cc(C[NH+]2CCCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012440635 670001907 /nfs/dbraw/zinc/00/19/07/670001907.db2.gz KLRASDIFQJUJAI-KRWDZBQOSA-N 2 0 366.527 2.080 50 0 FEAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CSC ZINC000012056169 539541953 /nfs/dbraw/zinc/54/19/53/539541953.db2.gz RTSUTSFXTZOUSP-SFHVURJKSA-N 2 0 371.591 2.021 50 0 FEAARP Cc1ccc(NC(=O)COc2ccc(C[NH2+]CCC[NH2+]CCO)cc2)cc1 ZINC000040720750 540010922 /nfs/dbraw/zinc/01/09/22/540010922.db2.gz FOGRSTYMFWPLDM-UHFFFAOYSA-N 2 0 371.481 2.074 50 0 FEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](CCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000072440508 541814770 /nfs/dbraw/zinc/81/47/70/541814770.db2.gz ZKEJFNOKRPPUIV-MAUKXSAKSA-N 2 0 365.905 2.251 50 0 FEAARP c1cn(C2CC[NH+](C3CCSCC3)CC2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072429509 541811496 /nfs/dbraw/zinc/81/14/96/541811496.db2.gz FGKJVZZTVXOOGJ-UHFFFAOYSA-N 2 0 372.542 2.382 50 0 FEAARP O[C@@H](COc1ccccc1C[NH+]1CCSCC1)C[NH+]1CCCCC1 ZINC000012704581 220018482 /nfs/dbraw/zinc/01/84/82/220018482.db2.gz IKVKDUUANOOCRA-GOSISDBHSA-N 2 0 350.528 2.461 50 0 FEAARP CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@H]([NH+]1CCCCC1)C2 ZINC000014532400 220125766 /nfs/dbraw/zinc/12/57/66/220125766.db2.gz LEMGAEYHXKHYPB-KRWDZBQOSA-N 2 0 373.545 2.024 50 0 FEAARP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077299491 542363154 /nfs/dbraw/zinc/36/31/54/542363154.db2.gz RSIPRXWYPKYVME-HXUWFJFHSA-N 2 0 373.541 2.122 50 0 FEAARP C[C@H](COc1ccccc1)[NH+]1CCC2(CN(CC[NH+](C)C)C(=O)O2)CC1 ZINC000072428664 221519635 /nfs/dbraw/zinc/51/96/35/221519635.db2.gz BUGHCADUZAMGFH-QGZVFWFLSA-N 2 0 361.486 2.302 50 0 FEAARP CCN1CCC[C@@H]1C[NH2+]C1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000095363705 132208047 /nfs/dbraw/zinc/20/80/47/132208047.db2.gz SYPGJEJCTJCTOB-LJQANCHMSA-N 2 0 372.561 2.428 50 0 FEAARP [NH3+]CCNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095523667 542979649 /nfs/dbraw/zinc/97/96/49/542979649.db2.gz AHQMDVMHBYGYMI-UHFFFAOYSA-N 2 0 367.493 2.461 50 0 FEAARP C[NH+]1CCN(Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095529283 542981935 /nfs/dbraw/zinc/98/19/35/542981935.db2.gz JEOZJOWSFHCSOU-FQEVSTJZSA-N 2 0 361.530 2.050 50 0 FEAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCCOCc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000072475362 221548668 /nfs/dbraw/zinc/54/86/68/221548668.db2.gz XIQMGWNMBMQYDW-KRWDZBQOSA-N 2 0 365.905 2.047 50 0 FEAARP CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3ccccc3)C[C@H]2C(=O)NCC)CC1 ZINC000020452035 519844305 /nfs/dbraw/zinc/84/43/05/519844305.db2.gz PAUCVFSOFCHEQE-CTNGQTDRSA-N 2 0 372.557 2.230 50 0 FEAARP C[C@H](c1ccc(C(=O)NCc2cc3n(n2)CCC[NH2+]C3)o1)[NH+]1CCCCC1 ZINC000082134877 526042972 /nfs/dbraw/zinc/04/29/72/526042972.db2.gz JCNLEGBNNGFWTH-OAHLLOKOSA-N 2 0 371.485 2.446 50 0 FEAARP COc1ccccc1OC[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000095365897 537097897 /nfs/dbraw/zinc/09/78/97/537097897.db2.gz HRMXEMPKIJCGMN-HNNXBMFYSA-N 2 0 371.485 2.402 50 0 FEAARP COC(C)(C)C[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012442406 670001957 /nfs/dbraw/zinc/00/19/57/670001957.db2.gz CSLBGWCDEGBNCC-SFHVURJKSA-N 2 0 350.503 2.427 50 0 FEAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cncs1)C2 ZINC000095390949 670759334 /nfs/dbraw/zinc/75/93/34/670759334.db2.gz GEGDNMRSIHSNLY-LMMKCTJWSA-N 2 0 365.543 2.483 50 0 FEAARP Cc1ccc(NC(=O)OCC[NH+](C)C)cc1NC(=O)OCC[NH+](C)C ZINC000004489101 539385271 /nfs/dbraw/zinc/38/52/71/539385271.db2.gz NEMKDXWIXBPZMH-UHFFFAOYSA-N 2 0 352.435 2.215 50 0 FEAARP CC(C)[NH+]1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000014964601 539607842 /nfs/dbraw/zinc/60/78/42/539607842.db2.gz IZTCVZPZQCEQKN-LJQANCHMSA-N 2 0 373.545 2.216 50 0 FEAARP COCCN(C(=O)c1ccc([C@@H]2CCC[NH2+]2)s1)C1CC[NH+](C)CC1 ZINC000023431101 539714005 /nfs/dbraw/zinc/71/40/05/539714005.db2.gz PWNZAYPLKLLBHS-HNNXBMFYSA-N 2 0 351.516 2.355 50 0 FEAARP CC(C)(CC1Cc2ccccc2C1)NC(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072167965 541795317 /nfs/dbraw/zinc/79/53/17/541795317.db2.gz SXCHFKCWXNXFEA-LJQANCHMSA-N 2 0 355.526 2.418 50 0 FEAARP CCN(CCNC(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2)c1cccc(C)c1 ZINC000072410974 541807395 /nfs/dbraw/zinc/80/73/95/541807395.db2.gz UUEGJTRJWGDFMV-IBGZPJMESA-N 2 0 358.530 2.011 50 0 FEAARP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)c2cc(F)ccc21 ZINC000072431153 541812750 /nfs/dbraw/zinc/81/27/50/541812750.db2.gz LXIBXVUDQPYVPH-KBXCAEBGSA-N 2 0 358.461 2.089 50 0 FEAARP Cc1ccnc(-n2cccc2C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)c1 ZINC000067817947 221290142 /nfs/dbraw/zinc/29/01/42/221290142.db2.gz OVZUEJNMZKYTJA-UHFFFAOYSA-N 2 0 353.514 2.393 50 0 FEAARP CC(C)C[N@H+](C)Cc1c(C(=O)N2CCC[NH+](C)CC2)nc2sccn12 ZINC000071749056 221361293 /nfs/dbraw/zinc/36/12/93/221361293.db2.gz DBBWKLKHKVGRRH-UHFFFAOYSA-N 2 0 363.531 2.261 50 0 FEAARP CC[N@H+](C)C[C@@H]1C[NH+](C2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]1CO ZINC000091974396 132205143 /nfs/dbraw/zinc/20/51/43/132205143.db2.gz CGQHVGMOMRHPCI-HZPDHXFCSA-N 2 0 367.484 2.426 50 0 FEAARP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)OCCO4)CC2)nc(N)[nH+]1 ZINC000095385374 132210037 /nfs/dbraw/zinc/21/00/37/132210037.db2.gz LUUXGCYIEKLDNF-CQSZACIVSA-N 2 0 369.469 2.458 50 0 FEAARP Cc1ccccc1C[NH+]1CCC(C[N@@H+](CC(N)=O)C[C@H]2CCCO2)CC1 ZINC000095510549 542977106 /nfs/dbraw/zinc/97/71/06/542977106.db2.gz FIIMILCFBSIRRV-HXUWFJFHSA-N 2 0 359.514 2.173 50 0 FEAARP [NH3+][C@@H]1CCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072473136 221545099 /nfs/dbraw/zinc/54/50/99/221545099.db2.gz JGTKHHXFKANQTK-CQSZACIVSA-N 2 0 357.889 2.337 50 0 FEAARP CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCC3([NH+](C)C)CCCCC3)C2)CC1 ZINC000020452307 263380073 /nfs/dbraw/zinc/38/00/73/263380073.db2.gz QFQHJYNSERTBLB-GOSISDBHSA-N 2 0 364.578 2.173 50 0 FEAARP CCN1CCC[C@H]1C[N@H+](CC1CC[NH+](CCOC)CC1)C1CCOCC1 ZINC000020996836 521653642 /nfs/dbraw/zinc/65/36/42/521653642.db2.gz STUAFXWFWARJIG-NRFANRHFSA-N 2 0 367.578 2.310 50 0 FEAARP O=C(NCC[N@H+]1CCCC[C@H]1CO)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091651109 526310775 /nfs/dbraw/zinc/31/07/75/526310775.db2.gz MUDJGEFCLDRLBE-FQEVSTJZSA-N 2 0 359.514 2.249 50 0 FEAARP Cc1cc(C[N@H+](C)CCn2cccn2)c(C)c(C[NH+]2CCN(C)CC2)c1 ZINC000216171344 548676322 /nfs/dbraw/zinc/67/63/22/548676322.db2.gz VVGDFNVQEOBMDG-UHFFFAOYSA-N 2 0 355.530 2.379 50 0 FEAARP C[C@H](CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCOCC1 ZINC000218834510 548690778 /nfs/dbraw/zinc/69/07/78/548690778.db2.gz FJHNXSUXXVBGRL-GOSISDBHSA-N 2 0 359.514 2.400 50 0 FEAARP Cc1c[nH+]ccc1N1CCCN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000426544409 559737498 /nfs/dbraw/zinc/73/74/98/559737498.db2.gz PITRCWPKIHWPCB-GOSISDBHSA-N 2 0 359.518 2.342 50 0 FEAARP COc1ccc(C[NH2+]CCSC)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011844396 669999705 /nfs/dbraw/zinc/99/97/05/669999705.db2.gz YYNPVUFKKUKQQT-INIZCTEOSA-N 2 0 356.532 2.228 50 0 FEAARP CCc1cccc(OCCN(C)C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c1 ZINC000072418818 541808277 /nfs/dbraw/zinc/80/82/77/541808277.db2.gz OMWPCPHBQBZABG-IBGZPJMESA-N 2 0 359.514 2.160 50 0 FEAARP COc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072430778 541812869 /nfs/dbraw/zinc/81/28/69/541812869.db2.gz BZPZKYNWVMZAKD-INIZCTEOSA-N 2 0 365.905 2.381 50 0 FEAARP CN1C[C@]2(CCC[N@H+](Cc3ccccc3OCCC[NH+](C)C)C2)OC1=O ZINC000072479599 541821636 /nfs/dbraw/zinc/82/16/36/541821636.db2.gz ALYRXZKRTFOVED-FQEVSTJZSA-N 2 0 361.486 2.434 50 0 FEAARP Cc1ccc(C2(C[N@@H+]3CCC[C@@H](CN4CCCC4=O)C3)CC[NH2+]CC2)nc1 ZINC000065501499 221226876 /nfs/dbraw/zinc/22/68/76/221226876.db2.gz QRKSBUWDODEMQX-LJQANCHMSA-N 2 0 370.541 2.346 50 0 FEAARP C[N@@H+]1CCC[C@H]1CCn1nc(C2CC[NH2+]CC2)n(Cc2ccccc2)c1=O ZINC000067908379 221304052 /nfs/dbraw/zinc/30/40/52/221304052.db2.gz MOWZTDGQWGHARO-IBGZPJMESA-N 2 0 369.513 2.044 50 0 FEAARP O[C@@H](COc1cccc(C[N@@H+]2CCCCC23CC3)c1)C[NH+]1CCC(O)CC1 ZINC000095501658 542975366 /nfs/dbraw/zinc/97/53/66/542975366.db2.gz RAPUDVHQEHPSHR-HXUWFJFHSA-N 2 0 374.525 2.402 50 0 FEAARP CCN1CCC[C@@H]1C[N@H+](CC1CC[NH+](CCOC)CC1)C1CCOCC1 ZINC000020996835 521633273 /nfs/dbraw/zinc/63/32/73/521633273.db2.gz STUAFXWFWARJIG-OAQYLSRUSA-N 2 0 367.578 2.310 50 0 FEAARP CCn1c(C[NH2+]C2CCN(c3ccccc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252550884 535984765 /nfs/dbraw/zinc/98/47/65/535984765.db2.gz SZRVDDBZGVVXNN-IYBDPMFKSA-N 2 0 354.502 2.261 50 0 FEAARP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1OCCN1CCOCC1)CC2 ZINC000215489887 548671614 /nfs/dbraw/zinc/67/16/14/548671614.db2.gz IJDVFKSJXGQTEF-UHFFFAOYSA-N 2 0 373.541 2.315 50 0 FEAARP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@H+](CCSc1ccccc1)C2 ZINC000219231761 548692686 /nfs/dbraw/zinc/69/26/86/548692686.db2.gz ISXLHVUTCUDNPM-IBGZPJMESA-N 2 0 360.527 2.476 50 0 FEAARP C[C@@H]1C[C@@H](N(C)C(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000237564747 548834045 /nfs/dbraw/zinc/83/40/45/548834045.db2.gz OTMPFKBIDHNECQ-HOJAQTOUSA-N 2 0 359.514 2.267 50 0 FEAARP C[NH+]1CCC(CNC(=O)c2cccc(OCC[NH3+])c2)(c2ccccc2)CC1 ZINC000426535383 559737064 /nfs/dbraw/zinc/73/70/64/559737064.db2.gz CCASUBSIHMMJRA-UHFFFAOYSA-N 2 0 367.493 2.418 50 0 FEAARP COc1cc(C[N@H+](C)C(C)C)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012297434 670001731 /nfs/dbraw/zinc/00/17/31/670001731.db2.gz LOLXHKLADBELDJ-QGZVFWFLSA-N 2 0 368.543 2.324 50 0 FEAARP Cc1cc(-c2nn(C)c(Cl)c2C[NH2+]CCNc2cc[nH+]cc2C)no1 ZINC000952969610 681793324 /nfs/dbraw/zinc/79/33/24/681793324.db2.gz MKWSUDFKIRRDQS-UHFFFAOYSA-N 2 0 360.849 2.364 50 0 FEAARP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](Cn2cc(C[NH3+])nn2)C1 ZINC000023506052 539715905 /nfs/dbraw/zinc/71/59/05/539715905.db2.gz LMGGDFZVPCFTEC-KRWDZBQOSA-N 2 0 365.485 2.143 50 0 FEAARP COCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000299769388 223088085 /nfs/dbraw/zinc/08/80/85/223088085.db2.gz MUUIZHQZNKWOEX-NRFANRHFSA-N 2 0 373.541 2.341 50 0 FEAARP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000299772380 223089619 /nfs/dbraw/zinc/08/96/19/223089619.db2.gz ZZSSLHCDHUYYRK-FQEVSTJZSA-N 2 0 371.525 2.412 50 0 FEAARP [NH3+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)CC[C@H]21 ZINC000072475246 541819679 /nfs/dbraw/zinc/81/96/79/541819679.db2.gz HUMAFLUVUVTOSC-QFBILLFUSA-N 2 0 354.454 2.113 50 0 FEAARP CCc1nnc(C[NH2+]C2CCN(c3cc(C)[nH+]c(N(C)C)n3)CC2)s1 ZINC000095511204 132213293 /nfs/dbraw/zinc/21/32/93/132213293.db2.gz YPSZKBZFXNEJLP-UHFFFAOYSA-N 2 0 361.519 2.024 50 0 FEAARP Cc1cc(F)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 ZINC000095381960 542965265 /nfs/dbraw/zinc/96/52/65/542965265.db2.gz NODBYBGXIJDILM-CTNGQTDRSA-N 2 0 363.521 2.345 50 0 FEAARP C[NH2+]C(C)(C)CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000095446529 542970356 /nfs/dbraw/zinc/97/03/56/542970356.db2.gz AAEKQVBIEVVTOG-UHFFFAOYSA-N 2 0 350.532 2.397 50 0 FEAARP C[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@@H+]3CCCCC34CC4)cc2)CC1 ZINC000095522148 542979760 /nfs/dbraw/zinc/97/97/60/542979760.db2.gz DYAMRYYYVCKIIN-HXUWFJFHSA-N 2 0 373.541 2.192 50 0 FEAARP C[NH+]1CCN(C[C@H](O)COc2ccc(C[N@@H+]3CCCCC34CC4)cc2)CC1 ZINC000095522147 542979862 /nfs/dbraw/zinc/97/98/62/542979862.db2.gz DYAMRYYYVCKIIN-FQEVSTJZSA-N 2 0 373.541 2.192 50 0 FEAARP CC[NH+](CC)Cc1ccc(OC[C@H](O)C[NH+]2CCSCC2)c(OC)c1 ZINC000095523760 542979962 /nfs/dbraw/zinc/97/99/62/542979962.db2.gz MTURCCUGUOCEDY-QGZVFWFLSA-N 2 0 368.543 2.326 50 0 FEAARP CC(C)[N@@H+]1CCN(C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1CCO ZINC000104642277 222359508 /nfs/dbraw/zinc/35/95/08/222359508.db2.gz SJJHZUWTSJEPJS-JOCHJYFZSA-N 2 0 359.558 2.471 50 0 FEAARP COCCN(C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1)C1CC[NH+](C)CC1 ZINC000215353288 548671697 /nfs/dbraw/zinc/67/16/97/548671697.db2.gz FOGBBCAFBRAYHR-IBGZPJMESA-N 2 0 359.514 2.336 50 0 FEAARP COCC[N@@H+]1CC[C@@H](CN(C)C(=O)C2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000220032892 548697935 /nfs/dbraw/zinc/69/79/35/548697935.db2.gz RVWGYJWCXBTFSA-IBGZPJMESA-N 2 0 373.541 2.077 50 0 FEAARP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC000221242750 548703673 /nfs/dbraw/zinc/70/36/73/548703673.db2.gz ZYZPNVIKUCCKRN-HXUWFJFHSA-N 2 0 353.470 2.365 50 0 FEAARP [NH3+][C@H]1C[C@H](c2nnc(C[NH2+]CCc3nc4c(s3)CCCC4)n2C2CC2)C1 ZINC000244594128 548890937 /nfs/dbraw/zinc/89/09/37/548890937.db2.gz DGUWVDJGPPONFN-JOCQHMNTSA-N 2 0 372.542 2.485 50 0 FEAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000408523885 558685612 /nfs/dbraw/zinc/68/56/12/558685612.db2.gz OHCBUBGAWJSEBW-HBGVWJBISA-N 2 0 364.493 2.123 50 0 FEAARP Cc1c[nH+]ccc1N1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000426544410 559737507 /nfs/dbraw/zinc/73/75/07/559737507.db2.gz PITRCWPKIHWPCB-SFHVURJKSA-N 2 0 359.518 2.342 50 0 FEAARP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCCn3ccnc3)CC2)C1)N1CCCC1 ZINC000071762084 541771438 /nfs/dbraw/zinc/77/14/38/541771438.db2.gz RKISGYYUCAZHHV-IBGZPJMESA-N 2 0 373.545 2.072 50 0 FEAARP C[N@H+](CCc1ccccc1)C1(C(=O)N2CC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000072149557 541789165 /nfs/dbraw/zinc/78/91/65/541789165.db2.gz PVPJKDMJWOMNCB-OAQYLSRUSA-N 2 0 363.505 2.258 50 0 FEAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc2onc(C)c21 ZINC000058377914 205273551 /nfs/dbraw/zinc/27/35/51/205273551.db2.gz CWGZFTQLCLSIEG-MRXNPFEDSA-N 2 0 373.501 2.328 50 0 FEAARP Cn1c(C[NH+]2CCC(C(=O)NCCC[NH+](C)C)CC2)cc2ccccc21 ZINC000075567762 205578498 /nfs/dbraw/zinc/57/84/98/205578498.db2.gz PZRZQHOCGLOUBG-UHFFFAOYSA-N 2 0 356.514 2.458 50 0 FEAARP Nc1nc(C2CC([NH3+])C2)cc(N2CCC[N@H+](Cc3ccccc3F)CC2)n1 ZINC000219376094 206384340 /nfs/dbraw/zinc/38/43/40/206384340.db2.gz LRYTWQNOBFWYRA-UHFFFAOYSA-N 2 0 370.476 2.115 50 0 FEAARP Cc1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)n(C)n1 ZINC000095507860 132212872 /nfs/dbraw/zinc/21/28/72/132212872.db2.gz RPEGTYOVZBNTIT-UHFFFAOYSA-N 2 0 369.517 2.186 50 0 FEAARP CCCc1ccc(C[N@H+]2C[C@@H](CN3CCC[NH+](C)CC3)C[C@H](CO)C2)o1 ZINC000092003955 542837066 /nfs/dbraw/zinc/83/70/66/542837066.db2.gz GVERNIWPOZMPLU-MOPGFXCFSA-N 2 0 363.546 2.300 50 0 FEAARP [NH3+]CCCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072133196 136142446 /nfs/dbraw/zinc/14/24/46/136142446.db2.gz XXDHKVWEIJCDQT-SFHVURJKSA-N 2 0 364.921 2.192 50 0 FEAARP C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCCC2)C1 ZINC000095352833 542957515 /nfs/dbraw/zinc/95/75/15/542957515.db2.gz HYHHNAGEKXDGRV-QGZVFWFLSA-N 2 0 361.534 2.025 50 0 FEAARP Cc1sc2ccccc2c1C[N@@H+]1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095363516 542960216 /nfs/dbraw/zinc/96/02/16/542960216.db2.gz NIYDIJGOFGIWNU-QZTJIDSGSA-N 2 0 373.566 2.497 50 0 FEAARP CC[NH+](C)C[C@@H]1CCN(c2nccnc2N2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000095997133 542986243 /nfs/dbraw/zinc/98/62/43/542986243.db2.gz MTFBSGFRQJBXLS-HDICACEKSA-N 2 0 360.550 2.033 50 0 FEAARP CSc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cc1 ZINC000091595428 525993229 /nfs/dbraw/zinc/99/32/29/525993229.db2.gz YFRHDYZQUULYPS-RTBURBONSA-N 2 0 363.571 2.086 50 0 FEAARP CSc1cccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)c1 ZINC000091586716 526095149 /nfs/dbraw/zinc/09/51/49/526095149.db2.gz VZPZGBVEIFUVJF-RTBURBONSA-N 2 0 363.571 2.086 50 0 FEAARP C[NH+]1CCC(C(=O)NCCC[N@@H+]2CCCC[C@H]2CO)(c2ccccc2)CC1 ZINC000670472093 571047900 /nfs/dbraw/zinc/04/79/00/571047900.db2.gz BLCCPHSKOHUJGS-FQEVSTJZSA-N 2 0 373.541 2.003 50 0 FEAARP COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3cc(N)cc[nH+]3)cc2)C1 ZINC000426370402 571216111 /nfs/dbraw/zinc/21/61/11/571216111.db2.gz YJPKLTDSUGKXAK-OAHLLOKOSA-N 2 0 354.454 2.029 50 0 FEAARP OC[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CC12CC[NH2+]CC2 ZINC000169789467 672322333 /nfs/dbraw/zinc/32/23/33/672322333.db2.gz SMMYMIBRSGSALV-ZDUSSCGKSA-N 2 0 357.267 2.382 50 0 FEAARP COc1cc(C[NH2+]Cc2cccnc2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011668089 539532204 /nfs/dbraw/zinc/53/22/04/539532204.db2.gz BRZKDRFZKITVKQ-LJQANCHMSA-N 2 0 373.497 2.460 50 0 FEAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](C2CSCCSC2)CC1 ZINC000012718525 539570904 /nfs/dbraw/zinc/57/09/04/539570904.db2.gz DCUFKTJQVDVVMM-UHFFFAOYSA-N 2 0 359.605 2.005 50 0 FEAARP C[NH+]1CCN(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000022935181 539703620 /nfs/dbraw/zinc/70/36/20/539703620.db2.gz VTKRZMJKEGYQDF-UHFFFAOYSA-N 2 0 358.530 2.040 50 0 FEAARP O=c1oc2ccccc2n1CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069027941 541649579 /nfs/dbraw/zinc/64/95/79/541649579.db2.gz JWRPDNROKKOVTD-UHFFFAOYSA-N 2 0 359.470 2.029 50 0 FEAARP CC(C)C[N@@H+]1CCCN(c2nc(-c3ccncc3)nc3c2CC[NH2+]C3)CC1 ZINC000071767616 541771869 /nfs/dbraw/zinc/77/18/69/541771869.db2.gz VKFFXQUVDZVVAV-UHFFFAOYSA-N 2 0 366.513 2.352 50 0 FEAARP O=C1OC2(CC[NH+](Cc3cc4n(n3)CCC[NH2+]C4)CC2)c2ccccc21 ZINC000072165226 541794157 /nfs/dbraw/zinc/79/41/57/541794157.db2.gz WXZLWWOVFXSEAC-UHFFFAOYSA-N 2 0 352.438 2.038 50 0 FEAARP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+](C3CC[NH2+]CC3)CC2)OC1=O ZINC000072430999 541812676 /nfs/dbraw/zinc/81/26/76/541812676.db2.gz CLKQNIIYJRQZJG-UHFFFAOYSA-N 3 0 366.550 2.003 50 0 FEAARP [NH3+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3c[nH]nc3C3CCCCC3)CC[C@H]21 ZINC000072480395 541821644 /nfs/dbraw/zinc/82/16/44/541821644.db2.gz IVBZNWRVDJEVNY-FUHWJXTLSA-N 2 0 359.518 2.229 50 0 FEAARP Cc1ccsc1[C@H](CNc1nc(N(C)C)nc2c1CC[NH2+]C2)[NH+](C)C ZINC000067673357 205380709 /nfs/dbraw/zinc/38/07/09/205380709.db2.gz CMTCENAKZNQRMZ-HNNXBMFYSA-N 2 0 360.531 2.273 50 0 FEAARP Cc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC[N@H+](Cc3ccncc3)CC2)n1 ZINC000219539716 206387576 /nfs/dbraw/zinc/38/75/76/206387576.db2.gz DZZABCWIBZABKD-IYARVYRRSA-N 2 0 352.486 2.097 50 0 FEAARP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077299486 542363575 /nfs/dbraw/zinc/36/35/75/542363575.db2.gz RSIPRXWYPKYVME-FQEVSTJZSA-N 2 0 373.541 2.122 50 0 FEAARP O=C([C@H]1CCC[N@@H+](C2CC[NH+](C3CCCCC3)CC2)C1)N1CCOCC1 ZINC000082099607 542683637 /nfs/dbraw/zinc/68/36/37/542683637.db2.gz ABOAAIOKNDXXNK-SFHVURJKSA-N 2 0 363.546 2.354 50 0 FEAARP CSc1ccccc1C[N@@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000092028742 542838492 /nfs/dbraw/zinc/83/84/92/542838492.db2.gz NKFARTLYRITUBN-RTBURBONSA-N 2 0 363.571 2.086 50 0 FEAARP CC(C)Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000095375586 542963361 /nfs/dbraw/zinc/96/33/61/542963361.db2.gz BFKRPEQFYNGPRW-FGZHOGPDSA-N 2 0 359.558 2.173 50 0 FEAARP CC1(C)CCC[N@@H+]1Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000095519424 542978670 /nfs/dbraw/zinc/97/86/70/542978670.db2.gz UUVPZPUJFPZSHG-LJQANCHMSA-N 2 0 362.514 2.257 50 0 FEAARP Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@H]4CC[C@H](C[N@H+]4C)C3)CC2)c1 ZINC000091486395 524554251 /nfs/dbraw/zinc/55/42/51/524554251.db2.gz VKEPGZQPJAUUFQ-TZIWHRDSSA-N 2 0 370.541 2.060 50 0 FEAARP CCc1nnc(NC(=O)CC[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)s1 ZINC000244900003 548899227 /nfs/dbraw/zinc/89/92/27/548899227.db2.gz ZUFFASCJRRXXQM-UHFFFAOYSA-N 2 0 374.514 2.345 50 0 FEAARP Cc1nnc([C@@H]2CC3(C[N@@H+]2CCc2ccccc2)CC[NH+](CCO)CC3)o1 ZINC000257190570 549714452 /nfs/dbraw/zinc/71/44/52/549714452.db2.gz MYTWFWWEEZFAFG-IBGZPJMESA-N 2 0 370.497 2.442 50 0 FEAARP COc1cc(C[N@H+](C)C(C)C)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012297433 670001574 /nfs/dbraw/zinc/00/15/74/670001574.db2.gz LOLXHKLADBELDJ-KRWDZBQOSA-N 2 0 368.543 2.324 50 0 FEAARP CC(C)[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000012716013 539571101 /nfs/dbraw/zinc/57/11/01/539571101.db2.gz CINKTDOZVHODLX-IBGZPJMESA-N 2 0 364.578 2.172 50 0 FEAARP O=C1OC2(CN1CCOc1ccccc1)CC[NH+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000072430029 541811708 /nfs/dbraw/zinc/81/17/08/541811708.db2.gz NYCBGMCVJJZZOV-SFHVURJKSA-N 2 0 373.497 2.352 50 0 FEAARP c1cn(CC[N@@H+]2CC[C@@H](c3ccccc3)C2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072435177 541813401 /nfs/dbraw/zinc/81/34/01/541813401.db2.gz XDZRQTPQKARINO-GOSISDBHSA-N 2 0 362.481 2.339 50 0 FEAARP O=C(NCC[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21)c1ccccc1Cl ZINC000063846913 205296541 /nfs/dbraw/zinc/29/65/41/205296541.db2.gz NWMXYLCPVYXQTM-IEBWSBKVSA-N 2 0 365.905 2.039 50 0 FEAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237606921 206105956 /nfs/dbraw/zinc/10/59/56/206105956.db2.gz ODSKVVCBQSVGLX-WSTZPKSXSA-N 2 0 358.530 2.094 50 0 FEAARP Nc1nonc1-n1nnc(C[NH2+]C2CCCCC2)c1C[NH2+]C1CCCCC1 ZINC000004936481 206183553 /nfs/dbraw/zinc/18/35/53/206183553.db2.gz AFPCJXXQCXMCHC-UHFFFAOYSA-N 2 0 374.493 2.077 50 0 FEAARP CCOc1ccc(Cc2c(SC(N)=[NH2+])ncnc2SC(N)=[NH2+])cc1 ZINC000004506595 206180151 /nfs/dbraw/zinc/18/01/51/206180151.db2.gz ULUIWPPDRAVQAP-UHFFFAOYSA-N 2 0 362.484 2.437 50 0 FEAARP C[NH+](C)C[C@@H]1C[N@@H+](C2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]1CO ZINC000092062194 132205973 /nfs/dbraw/zinc/20/59/73/132205973.db2.gz LGCVVOUYGJGIBY-HZPDHXFCSA-N 2 0 351.922 2.411 50 0 FEAARP COCC[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095500293 542973930 /nfs/dbraw/zinc/97/39/30/542973930.db2.gz AORJXSZNEWEWES-LJQANCHMSA-N 2 0 350.503 2.381 50 0 FEAARP Nc1nc(NCC2([NH+]3CCOCC3)CCCCCC2)cc(C2CC([NH3+])C2)n1 ZINC000223958580 548726011 /nfs/dbraw/zinc/72/60/11/548726011.db2.gz RRMPZVMUEPICAC-UHFFFAOYSA-N 2 0 374.533 2.101 50 0 FEAARP C[NH+]1CCC(Nc2ccc(C(=O)NCC[C@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000015069324 539610955 /nfs/dbraw/zinc/61/09/55/539610955.db2.gz SNTKAFWIJIMSED-GOSISDBHSA-N 2 0 359.518 2.192 50 0 FEAARP COCCCN(Cc1ccc(C)cc1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072145202 541788446 /nfs/dbraw/zinc/78/84/46/541788446.db2.gz RGUUHAKXHAROPF-LJQANCHMSA-N 2 0 359.514 2.092 50 0 FEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](C/C=C/c3ccccc3OC)CC[C@H]21 ZINC000072440056 541815356 /nfs/dbraw/zinc/81/53/56/541815356.db2.gz URZJXARDAIIOBR-VUTZTEFLSA-N 2 0 357.498 2.241 50 0 FEAARP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@H+](CCSc1ccccc1)C2 ZINC000219231673 206381694 /nfs/dbraw/zinc/38/16/94/206381694.db2.gz ISXLHVUTCUDNPM-LJQANCHMSA-N 2 0 360.527 2.476 50 0 FEAARP CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2CCC[NH+](Cc3cccs3)CC2)C1 ZINC000077408137 542379655 /nfs/dbraw/zinc/37/96/55/542379655.db2.gz ROUVPUIDYBKNLW-KRWDZBQOSA-N 2 0 365.543 2.282 50 0 FEAARP Cc1nnc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)[nH]1 ZINC000095366088 132208363 /nfs/dbraw/zinc/20/83/63/132208363.db2.gz SDTVDLGWQAEWOI-CQSZACIVSA-N 2 0 370.505 2.131 50 0 FEAARP Cc1c(F)cccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 ZINC000091585890 542813553 /nfs/dbraw/zinc/81/35/53/542813553.db2.gz GTNABNSOPIPFAV-CTNGQTDRSA-N 2 0 363.521 2.345 50 0 FEAARP COc1cc(C[N@@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)ccc1F ZINC000092065501 542842353 /nfs/dbraw/zinc/84/23/53/542842353.db2.gz RJDUJIGCIGJBEZ-FQEVSTJZSA-N 2 0 366.477 2.130 50 0 FEAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2ccccc2OCc2ccccc2)C1 ZINC000096142206 542993831 /nfs/dbraw/zinc/99/38/31/542993831.db2.gz LWOLIRXGYYKRDR-DENIHFKCSA-N 2 0 365.477 2.033 50 0 FEAARP [NH3+]CCCOc1ccc(C(=O)N2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000426545344 263629435 /nfs/dbraw/zinc/62/94/35/263629435.db2.gz POMCMJWQALVQQX-UHFFFAOYSA-N 2 0 363.527 2.068 50 0 FEAARP O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)N1CCC(CC[NH+]2CCCC2)CC1 ZINC000426734523 263666257 /nfs/dbraw/zinc/66/62/57/263666257.db2.gz PTKZLSBJFZMMOP-IBGZPJMESA-N 2 0 373.545 2.075 50 0 FEAARP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc2n(n1)CCC[NH+](CC(C)C)C2 ZINC000082157674 521599604 /nfs/dbraw/zinc/59/96/04/521599604.db2.gz DXWFHIACRZVYHN-IBGZPJMESA-N 2 0 361.534 2.235 50 0 FEAARP CC[NH+]1CCN(CCOc2ccc(C[N@@H+]3CCC[C@](C)(O)C3)cc2)CC1 ZINC000216394377 521683759 /nfs/dbraw/zinc/68/37/59/521683759.db2.gz VXDKDHXKMJSCCR-NRFANRHFSA-N 2 0 361.530 2.050 50 0 FEAARP O=C(C[NH+]1CCCC1)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000299772381 553613278 /nfs/dbraw/zinc/61/32/78/553613278.db2.gz ZZSSLHCDHUYYRK-HXUWFJFHSA-N 2 0 371.525 2.412 50 0 FEAARP C[NH+]1CCC2(CC1)CCCN(C(=O)Cc1ccc(OCC[NH3+])cc1)CC2 ZINC000426405478 571220967 /nfs/dbraw/zinc/22/09/67/571220967.db2.gz INUJHEFSNIEVRG-UHFFFAOYSA-N 2 0 359.514 2.291 50 0 FEAARP O=C(NCC1(c2ccccc2F)CCCC1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072126338 541784538 /nfs/dbraw/zinc/78/45/38/541784538.db2.gz YHWRJFYMEFVDCE-SFHVURJKSA-N 2 0 359.489 2.485 50 0 FEAARP C[NH2+]CCOc1cccc(C[C@@H]2CC[C@H](C[NH+]3CCSCC3)O2)c1 ZINC000072477694 541820527 /nfs/dbraw/zinc/82/05/27/541820527.db2.gz LURYHHDIRJHHQU-RBUKOAKNSA-N 2 0 350.528 2.424 50 0 FEAARP CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(CN3CC[NH+](C)CC3)c(C)cc2C)C1 ZINC000216062914 206354904 /nfs/dbraw/zinc/35/49/04/206354904.db2.gz WDMVDXOCIZUCLI-QFIPXVFZSA-N 2 0 372.557 2.151 50 0 FEAARP CCn1ccnc1C[NH2+]C1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000095499615 132211917 /nfs/dbraw/zinc/21/19/17/132211917.db2.gz CCIYCZRBJQDYOE-UHFFFAOYSA-N 2 0 369.517 2.360 50 0 FEAARP COc1ccc([C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095372379 542962856 /nfs/dbraw/zinc/96/28/56/542962856.db2.gz GZPRFGHSGMUZNJ-KSEOMHKRSA-N 2 0 371.525 2.424 50 0 FEAARP COc1cccc([C@H]2CN(c3cc(C)[nH+]c(N)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095355245 542957906 /nfs/dbraw/zinc/95/79/06/542957906.db2.gz RPGZABWRZDTEMT-MISYRCLQSA-N 2 0 365.481 2.442 50 0 FEAARP Cn1nc([C@@H]2CCC[N@H+](C[C@H]3CC[C@@H]([NH3+])CC3)C2)n(-c2ccccc2)c1=O ZINC000244678741 527557037 /nfs/dbraw/zinc/55/70/37/527557037.db2.gz IJBMCZWOQINHIX-KURKYZTESA-N 2 0 369.513 2.268 50 0 FEAARP [NH3+]CCCOc1cc(Cl)ccc1C(=O)N1CC([NH+]2CCCCC2)C1 ZINC000299765229 553611803 /nfs/dbraw/zinc/61/18/03/553611803.db2.gz KPCZRLOHXIJLAE-UHFFFAOYSA-N 2 0 351.878 2.378 50 0 FEAARP CN1CCC[N@H+](C)CC12CC[NH+](C[C@H]1CC(=O)N(c3ccccc3)C1)CC2 ZINC000299791968 553614964 /nfs/dbraw/zinc/61/49/64/553614964.db2.gz GJBYKZVNEWXYBQ-LJQANCHMSA-N 2 0 370.541 2.141 50 0 FEAARP O=C(CC1CC[NH+](Cc2ccccc2)CC1)NCC[N@H+]1CCCC[C@@H]1CO ZINC000299802206 553616470 /nfs/dbraw/zinc/61/64/70/553616470.db2.gz YCOKYPLEZAFHFP-OAQYLSRUSA-N 2 0 373.541 2.252 50 0 FEAARP C[NH+](C)CC1(O)CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299798689 223102993 /nfs/dbraw/zinc/10/29/93/223102993.db2.gz UHGCKBMUXUAVBV-ZCNNSNEGSA-N 2 0 371.525 2.127 50 0 FEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1ccc(O)cc1)CC[NH+](C)CC2 ZINC000072407143 541805745 /nfs/dbraw/zinc/80/57/45/541805745.db2.gz FRMDHYGMVHBDTG-IBGZPJMESA-N 2 0 359.514 2.247 50 0 FEAARP [NH3+]CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)cc1 ZINC000215526691 206348108 /nfs/dbraw/zinc/34/81/08/206348108.db2.gz IZDFRLOIUXLUQO-PKOBYXMFSA-N 2 0 370.522 2.267 50 0 FEAARP C[N@@H+]1CCN(Cc2ccccc2OCCC[NH+]2CCCCC2)C[C@@H]1CO ZINC000216111092 206356274 /nfs/dbraw/zinc/35/62/74/206356274.db2.gz VCEDCNDCCWPROD-HXUWFJFHSA-N 2 0 361.530 2.050 50 0 FEAARP C[NH+](C)C[C@@H]1C[N@@H+](C2CCN(c3ccccc3Cl)CC2)C[C@@H]1CO ZINC000091459915 132201848 /nfs/dbraw/zinc/20/18/48/132201848.db2.gz XGWRVRYVUAHVLY-HZPDHXFCSA-N 2 0 351.922 2.411 50 0 FEAARP CNc1cc(C)[nH+]c(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)n1 ZINC000095354203 132207265 /nfs/dbraw/zinc/20/72/65/132207265.db2.gz WWNVBGBBPRQUEA-MRXNPFEDSA-N 2 0 357.506 2.359 50 0 FEAARP CC[N@@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000253417900 132293869 /nfs/dbraw/zinc/29/38/69/132293869.db2.gz LDNJUKBMDLYHBR-IBGZPJMESA-N 2 0 358.530 2.141 50 0 FEAARP [NH3+]CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1 ZINC000092078412 542843901 /nfs/dbraw/zinc/84/39/01/542843901.db2.gz IRQOXNCLKJSPFJ-WOJBJXKFSA-N 2 0 364.493 2.319 50 0 FEAARP O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000095356498 542958437 /nfs/dbraw/zinc/95/84/37/542958437.db2.gz YOTLDFHAYFGFFN-LJQANCHMSA-N 2 0 357.498 2.090 50 0 FEAARP CCn1c(C[NH2+]CCN2CCCc3ccccc32)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000253378388 535984741 /nfs/dbraw/zinc/98/47/41/535984741.db2.gz CKOZRURBMQJMHD-QAQDUYKDSA-N 2 0 354.502 2.045 50 0 FEAARP CC(C)[NH+]1CCN(CCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000170607472 546164894 /nfs/dbraw/zinc/16/48/94/546164894.db2.gz JYIXVEUVABSDAK-UHFFFAOYSA-N 2 0 368.566 2.392 50 0 FEAARP C[NH+](C)CCOc1ccccc1-c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000534673127 562540013 /nfs/dbraw/zinc/54/00/13/562540013.db2.gz AZMMDEVLJDPCQE-GOSISDBHSA-N 2 0 353.466 2.467 50 0 FEAARP CC(C)C[N@@H+]1CCCn2nc(CNC(=O)[C@@H]3CCCCC[NH+]3C)cc2C1 ZINC000082138326 571165111 /nfs/dbraw/zinc/16/51/11/571165111.db2.gz GHTLOGRBAWMGIP-IBGZPJMESA-N 2 0 361.534 2.235 50 0 FEAARP C[N@@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000670444889 571350455 /nfs/dbraw/zinc/35/04/55/571350455.db2.gz ZZKYADXTHKVIOL-NRFANRHFSA-N 2 0 372.557 2.357 50 0 FEAARP [NH3+]Cc1cn(C2CC[NH+](Cc3ccc(-c4csnn4)cc3)CC2)nn1 ZINC000023369222 670047590 /nfs/dbraw/zinc/04/75/90/670047590.db2.gz VVOZTNPXMOXKPJ-UHFFFAOYSA-N 2 0 355.471 2.092 50 0 FEAARP C[NH+](CCO)CC1c2ccccc2C(C[N@H+](C)CCO)c2ccccc21 ZINC000000877750 539334822 /nfs/dbraw/zinc/33/48/22/539334822.db2.gz IMYHMODKXOOJOA-UHFFFAOYSA-N 2 0 354.494 2.112 50 0 FEAARP CSCCC[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012438899 539560509 /nfs/dbraw/zinc/56/05/09/539560509.db2.gz DVQDKJBGCWZOEO-QGZVFWFLSA-N 2 0 370.584 2.318 50 0 FEAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]C2CCOCC2)cc1OC ZINC000012758473 539572821 /nfs/dbraw/zinc/57/28/21/539572821.db2.gz QTQYWJHKMASVED-SFHVURJKSA-N 2 0 366.502 2.045 50 0 FEAARP CCC[C@H](C(=O)NCCCCCCNC(=O)[C@H](CCC)[NH+](C)C)[NH+](C)C ZINC000015772438 539623238 /nfs/dbraw/zinc/62/32/38/539623238.db2.gz NPRGXIACRQKLQF-HDICACEKSA-N 2 0 370.582 2.240 50 0 FEAARP Cc1ccccc1OC1CCN(C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)CC1 ZINC000072421526 541809015 /nfs/dbraw/zinc/80/90/15/541809015.db2.gz ZCYNJAHGZLDKIZ-IBGZPJMESA-N 2 0 371.525 2.439 50 0 FEAARP CC(C)C[N@H+](C)CCCN1CC2(CCN([C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072423372 541810214 /nfs/dbraw/zinc/81/02/14/541810214.db2.gz QBFODUIGRMHFFU-GOSISDBHSA-N 2 0 366.550 2.003 50 0 FEAARP C[NH+](C)Cc1cccc([C@H]2N[C@](CO)(c3ccccc3)[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000065429694 205350245 /nfs/dbraw/zinc/35/02/45/205350245.db2.gz TXVFCUPUABZPNE-KAOXLYBCSA-N 2 0 365.521 2.458 50 0 FEAARP C[NH+]1CCC(N2CC[NH+](Cc3cccc(Cn4cccn4)c3)CC2)CC1 ZINC000216164322 206355935 /nfs/dbraw/zinc/35/59/35/206355935.db2.gz OSSQLXNTQMEYPJ-UHFFFAOYSA-N 2 0 353.514 2.143 50 0 FEAARP Cc1c2cc(C)ccc2[nH]c1C[N@@H+]1C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C1 ZINC000091876938 542829833 /nfs/dbraw/zinc/82/98/33/542829833.db2.gz YVTULQHZBZKIRT-RTBURBONSA-N 2 0 372.557 2.318 50 0 FEAARP [NH3+]CCCCCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072128194 136142182 /nfs/dbraw/zinc/14/21/82/136142182.db2.gz MLQOUUFZFQPDGD-FQEVSTJZSA-N 2 0 358.530 2.319 50 0 FEAARP CC[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC[C@@H]1[NH3+] ZINC000097165811 543006001 /nfs/dbraw/zinc/00/60/01/543006001.db2.gz RDLFOMPUFCHVNJ-LPHOPBHVSA-N 2 0 365.543 2.207 50 0 FEAARP CSCC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC000097772934 543016123 /nfs/dbraw/zinc/01/61/23/543016123.db2.gz CUGOWTUDCMMSDF-UHFFFAOYSA-N 2 0 351.516 2.433 50 0 FEAARP Cc1ncccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420807 543289448 /nfs/dbraw/zinc/28/94/48/543289448.db2.gz RBFVDFJEMGLWOU-HXUWFJFHSA-N 2 0 352.482 2.377 50 0 FEAARP CN1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)[C@H](C[NH3+])C1 ZINC000170677292 546169869 /nfs/dbraw/zinc/16/98/69/546169869.db2.gz HJOYPFPHHFQCIF-CQSZACIVSA-N 2 0 350.422 2.210 50 0 FEAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237518262 548831456 /nfs/dbraw/zinc/83/14/56/548831456.db2.gz OHCBUBGAWJSEBW-CZAAIQMYSA-N 2 0 364.493 2.123 50 0 FEAARP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1(C)C ZINC000262894968 549859754 /nfs/dbraw/zinc/85/97/54/549859754.db2.gz OYDGIBUJZBVTLU-UEXGIBASSA-N 2 0 355.482 2.488 50 0 FEAARP C[C@@H]([NH3+])c1nnc(SCCN2CCOCC2)n1-c1cccc(Cl)c1 ZINC000426723805 559741055 /nfs/dbraw/zinc/74/10/55/559741055.db2.gz AOIYMGCZIIMWMP-GFCCVEGCSA-N 2 0 367.906 2.365 50 0 FEAARP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cn(C)nc2-c2ccncc2)C[C@@H](C)O1 ZINC000067452543 541466025 /nfs/dbraw/zinc/46/60/25/541466025.db2.gz LMUDIUAZJNXEKH-IAGOWNOFSA-N 2 0 357.502 2.461 50 0 FEAARP CCOc1ccc(C[N@@H+]2CCCN(C)C3(CC[NH+](C)CC3)C2)cc1CO ZINC000067872140 541523555 /nfs/dbraw/zinc/52/35/55/541523555.db2.gz RGQGAQCLTOEYDS-UHFFFAOYSA-N 2 0 361.530 2.180 50 0 FEAARP C[NH2+]CCNC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072163308 541793553 /nfs/dbraw/zinc/79/35/53/541793553.db2.gz KSXSXHYLRGWMSZ-UHFFFAOYSA-N 2 0 351.494 2.034 50 0 FEAARP COc1ccc(/C=C/C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)cc1 ZINC000072425281 541810736 /nfs/dbraw/zinc/81/07/36/541810736.db2.gz IUNPODYOCYWDGA-AMBXGICCSA-N 2 0 357.498 2.370 50 0 FEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1nccn1CC)CC[NH+](C)CC2 ZINC000072479955 541821288 /nfs/dbraw/zinc/82/12/88/541821288.db2.gz FSNDPNLQCCORIL-QGZVFWFLSA-N 2 0 361.534 2.058 50 0 FEAARP O[C@@]1(C[NH2+]CCc2cnn(-c3ccccc3)c2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063871728 205295216 /nfs/dbraw/zinc/29/52/16/205295216.db2.gz JXTPEGPNBGMUKV-NHCUHLMSSA-N 2 0 354.498 2.384 50 0 FEAARP C[NH+](C)C[C@@H](O)COc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019607461 206333385 /nfs/dbraw/zinc/33/33/85/206333385.db2.gz BOJQFURLUISVPS-HXUWFJFHSA-N 2 0 361.530 2.048 50 0 FEAARP Cc1cc(N2CCC([NH2+]CCCn3cccn3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095520793 132213824 /nfs/dbraw/zinc/21/38/24/132213824.db2.gz YDDXLQOHLABIBP-UHFFFAOYSA-N 2 0 369.517 2.230 50 0 FEAARP COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CC[NH+](CC3CCCC3)CC2)n1 ZINC000244758093 132291058 /nfs/dbraw/zinc/29/10/58/132291058.db2.gz OSGCRJUEONNEHB-QAQDUYKDSA-N 2 0 359.518 2.140 50 0 FEAARP Cc1cc(C)c2[nH]c(C[N@H+]3CCC[C@](O)(C[NH+](C)C)CC3)cc(=O)c2c1 ZINC000091872069 542830041 /nfs/dbraw/zinc/83/00/41/542830041.db2.gz PIVAAERTXBHXJW-OAQYLSRUSA-N 2 0 357.498 2.424 50 0 FEAARP c1coc(-c2nc3c(c(N4CC[N@H+]5CCCC[C@@H]5C4)n2)CC[NH2+]CC3)c1 ZINC000072421396 136146090 /nfs/dbraw/zinc/14/60/90/136146090.db2.gz KZEWPLXBMLYMPY-OAHLLOKOSA-N 2 0 353.470 2.099 50 0 FEAARP O[C@H](COc1ccccc1C[NH+]1CCCCC1)C[NH+]1CCSCC1 ZINC000095520386 542978630 /nfs/dbraw/zinc/97/86/30/542978630.db2.gz NMJOXADRXNPOIL-SFHVURJKSA-N 2 0 350.528 2.461 50 0 FEAARP [NH3+]CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)c1 ZINC000095525773 542981312 /nfs/dbraw/zinc/98/13/12/542981312.db2.gz WDRJJUCVVFPWPU-PKOBYXMFSA-N 2 0 370.522 2.267 50 0 FEAARP CCCC[N@@H+]1CCn2nc(CNC(=O)C[NH+]3CCCC[C@@H]3CC)cc2C1 ZINC000299760986 553611863 /nfs/dbraw/zinc/61/18/63/553611863.db2.gz QJJNLYHNRIDFTG-SFHVURJKSA-N 2 0 361.534 2.380 50 0 FEAARP COc1ccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)cc1C[NH+]1CCCC1 ZINC000214997737 209631409 /nfs/dbraw/zinc/63/14/09/209631409.db2.gz IGDXFTLYNVKAGN-IBGZPJMESA-N 2 0 360.498 2.407 50 0 FEAARP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccncc2)C[C@H](C)O1 ZINC000067452541 541466127 /nfs/dbraw/zinc/46/61/27/541466127.db2.gz LMUDIUAZJNXEKH-CALCHBBNSA-N 2 0 357.502 2.461 50 0 FEAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCC1(COc3ccccc3)CC1)CC[NH2+]CC2 ZINC000072409181 541806688 /nfs/dbraw/zinc/80/66/88/541806688.db2.gz IODGWXYLQJZVEP-SFHVURJKSA-N 2 0 357.498 2.036 50 0 FEAARP Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2)CC3 ZINC000072412077 541807062 /nfs/dbraw/zinc/80/70/62/541807062.db2.gz WOVDNLUHZWDYMR-HXUWFJFHSA-N 2 0 366.509 2.435 50 0 FEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N1CCc3[nH]nc(CC)c3C1)CC[NH+](C)CC2 ZINC000072411522 541807154 /nfs/dbraw/zinc/80/71/54/541807154.db2.gz IZJIOMSPNBAISL-LJQANCHMSA-N 2 0 373.545 2.053 50 0 FEAARP C[N@@H+]1CCC[C@H]1CCNc1nc(-c2ccncc2)nc2c1CC[NH2+]CC2 ZINC000072453445 541816014 /nfs/dbraw/zinc/81/60/14/541816014.db2.gz YVPCQUUWSKVOKJ-INIZCTEOSA-N 2 0 352.486 2.123 50 0 FEAARP Cc1noc2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC(=O)N4CCC[NH3+])C3)cc12 ZINC000072474445 541819764 /nfs/dbraw/zinc/81/97/64/541819764.db2.gz QSJJCOLZQMKLBF-FUHWJXTLSA-N 2 0 356.470 2.298 50 0 FEAARP c1cnc(N2CCC([NH2+]C3CC[NH+](C4CCSCC4)CC3)CC2)nc1 ZINC000095500901 132211997 /nfs/dbraw/zinc/21/19/97/132211997.db2.gz AZQWUBRAIJMQQP-UHFFFAOYSA-N 2 0 361.559 2.395 50 0 FEAARP Cc1cc(N2CCC([NH2+]CCc3cn[nH]c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000095506412 132212608 /nfs/dbraw/zinc/21/26/08/132212608.db2.gz AMBWTXMHHQAMLM-UHFFFAOYSA-N 2 0 369.517 2.300 50 0 FEAARP Cc1ccc2[nH]c(C[NH+]3CCC(O)(C[NH+]4CCCC4)CC3)cc(=O)c2c1 ZINC000091621382 542815633 /nfs/dbraw/zinc/81/56/33/542815633.db2.gz RYFIGKORUWGLPS-UHFFFAOYSA-N 2 0 355.482 2.259 50 0 FEAARP OC[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1C[NH+]1CCCCC1 ZINC000091737266 542822722 /nfs/dbraw/zinc/82/27/22/542822722.db2.gz LJYMQQUNLOUIOL-WOJBJXKFSA-N 2 0 354.498 2.399 50 0 FEAARP [NH3+]CCCC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072133195 136142438 /nfs/dbraw/zinc/14/24/38/136142438.db2.gz XXDHKVWEIJCDQT-GOSISDBHSA-N 2 0 364.921 2.192 50 0 FEAARP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000111371203 543399848 /nfs/dbraw/zinc/39/98/48/543399848.db2.gz IMFATMIUXUXAJO-IBGZPJMESA-N 2 0 355.486 2.157 50 0 FEAARP [NH3+][C@H]1CC[C@@H](C[N@@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)CC1 ZINC000244608587 527413162 /nfs/dbraw/zinc/41/31/62/527413162.db2.gz FFGPSNQEUOIWAH-WOVMCDHWSA-N 2 0 359.518 2.023 50 0 FEAARP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc(N2CC[NH+](C)CC2)c1 ZINC000252489629 549669140 /nfs/dbraw/zinc/66/91/40/549669140.db2.gz JVDNKWISBBCWSS-KRWDZBQOSA-N 2 0 359.518 2.210 50 0 FEAARP CC[NH+]1CCC2(CC1)CN(C(=O)Cn1ccnc1C)Cc1ccccc1O2 ZINC000257181437 549712751 /nfs/dbraw/zinc/71/27/51/549712751.db2.gz FOEHZEQNSLNKKL-UHFFFAOYSA-N 2 0 368.481 2.467 50 0 FEAARP O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)N1CCC(CC[NH+]2CCCC2)CC1 ZINC000426734524 559741156 /nfs/dbraw/zinc/74/11/56/559741156.db2.gz PTKZLSBJFZMMOP-LJQANCHMSA-N 2 0 373.545 2.075 50 0 FEAARP C[NH+](C)CCCNC(=O)c1cccnc1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012736713 539572275 /nfs/dbraw/zinc/57/22/75/539572275.db2.gz YGFOXJFEGNEFPY-UHFFFAOYSA-N 2 0 361.534 2.484 50 0 FEAARP COc1ccc([C@@H]2CN(c3cc(C)[nH+]c(N)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072143066 541787063 /nfs/dbraw/zinc/78/70/63/541787063.db2.gz HGELLRQYKAUOGK-DFQSSKMNSA-N 2 0 365.481 2.442 50 0 FEAARP CN(Cc1cc(-c2ccccc2)on1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072156550 541791645 /nfs/dbraw/zinc/79/16/45/541791645.db2.gz UPEDREJLODEXGX-QGZVFWFLSA-N 2 0 354.454 2.032 50 0 FEAARP C[NH+](C)CCn1c(=O)c(C[N@H+](C)CCn2cccn2)cc2ccc(F)cc21 ZINC000011782579 207322439 /nfs/dbraw/zinc/32/24/39/207322439.db2.gz LZAXRIFGFZNCED-UHFFFAOYSA-N 2 0 371.460 2.031 50 0 FEAARP C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000095378087 209038970 /nfs/dbraw/zinc/03/89/70/209038970.db2.gz ZCSVHMZGABLNRJ-LJQANCHMSA-N 2 0 369.513 2.241 50 0 FEAARP CCN1CCC[C@H]1C[NH2+]C1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000095363706 132207992 /nfs/dbraw/zinc/20/79/92/132207992.db2.gz SYPGJEJCTJCTOB-IBGZPJMESA-N 2 0 372.561 2.428 50 0 FEAARP Cc1cc(N2CCC([NH2+]Cc3ccc4c(c3)OCCCO4)CC2)nc(N)[nH+]1 ZINC000095387015 132210107 /nfs/dbraw/zinc/21/01/07/132210107.db2.gz IMVNSSPKRHQSMO-UHFFFAOYSA-N 2 0 369.469 2.287 50 0 FEAARP O=C(CCC[NH+]1CCCCCC1)N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095525595 209075643 /nfs/dbraw/zinc/07/56/43/209075643.db2.gz BXEQIQJAUDMOMG-NRFANRHFSA-N 2 0 373.541 2.348 50 0 FEAARP CCn1c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+][C@H](C)C3)C2)nc2ccccc21 ZINC000253603286 549698530 /nfs/dbraw/zinc/69/85/30/549698530.db2.gz JPOIRTQITQUKTJ-SJORKVTESA-N 2 0 369.513 2.089 50 0 FEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(Cc1cnn(C)c1)C1CC1)CC[NH+](C)CC2 ZINC000072475111 541819643 /nfs/dbraw/zinc/81/96/43/541819643.db2.gz MTEGMFIBCUYGFI-IBGZPJMESA-N 2 0 373.545 2.107 50 0 FEAARP COc1cc(CC[NH3+])c(Cc2cc(OC)c(OC)cc2CC[NH3+])cc1OC ZINC000030769045 208003703 /nfs/dbraw/zinc/00/37/03/208003703.db2.gz XCYTZOCEXQDONL-UHFFFAOYSA-N 2 0 374.481 2.314 50 0 FEAARP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000077319444 542366857 /nfs/dbraw/zinc/36/68/57/542366857.db2.gz NEQUJJKCXXDNII-UHFFFAOYSA-N 2 0 373.526 2.395 50 0 FEAARP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000091894769 209004568 /nfs/dbraw/zinc/00/45/68/209004568.db2.gz IYUYWUZQQSTLSA-UHFFFAOYSA-N 2 0 360.550 2.075 50 0 FEAARP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCC[NH3+])c1 ZINC000095507526 209067900 /nfs/dbraw/zinc/06/79/00/209067900.db2.gz FABSPDDLFOJVRR-UHFFFAOYSA-N 2 0 361.486 2.170 50 0 FEAARP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CC[C@H]3[NH2+]C(C)C)CC2)c1 ZINC000072134556 136142393 /nfs/dbraw/zinc/14/23/93/136142393.db2.gz PJLCNUUICUWNAJ-UXHICEINSA-N 2 0 358.530 2.152 50 0 FEAARP CCC[N@@H+]1CCCn2nc(CNC(=O)[C@@H]([NH2+]C)c3ccccc3)cc2C1 ZINC000082147943 519854671 /nfs/dbraw/zinc/85/46/71/519854671.db2.gz OTLZOPNCSBXLCA-IBGZPJMESA-N 2 0 355.486 2.076 50 0 FEAARP CN1C[C@H](C[N@H+](C)Cc2ccccc2OCC[NH+]2CCCCC2)CC1=O ZINC000215760230 548673237 /nfs/dbraw/zinc/67/32/37/548673237.db2.gz UBBWMYGNWBAEBK-SFHVURJKSA-N 2 0 359.514 2.461 50 0 FEAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000408523887 558685808 /nfs/dbraw/zinc/68/58/08/558685808.db2.gz OHCBUBGAWJSEBW-MAODMQOUSA-N 2 0 364.493 2.123 50 0 FEAARP C[NH2+]Cc1cn(C2CC[NH+](C3CCN(c4ccc(F)cc4)CC3)CC2)nn1 ZINC000019884372 539670694 /nfs/dbraw/zinc/67/06/94/539670694.db2.gz LSTOBNJNJPEXSE-UHFFFAOYSA-N 2 0 372.492 2.443 50 0 FEAARP CC(C)(C)C[N@@H+]1CCN(C2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1CCO ZINC000020206287 539673226 /nfs/dbraw/zinc/67/32/26/539673226.db2.gz SRVNFTTXZDQRHU-NRFANRHFSA-N 2 0 374.573 2.461 50 0 FEAARP CCc1cc(N(CC[NH+](CC)CC)CC[NH+](CC)CC)n2ncnc2n1 ZINC000022341810 539694426 /nfs/dbraw/zinc/69/44/26/539694426.db2.gz HLNHZWGRSKLMRO-UHFFFAOYSA-N 2 0 361.538 2.177 50 0 FEAARP O=C(NCCF)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071576033 541768402 /nfs/dbraw/zinc/76/84/02/541768402.db2.gz OGAVQRXRHULCSQ-LJQANCHMSA-N 2 0 373.516 2.416 50 0 FEAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000072143829 541787284 /nfs/dbraw/zinc/78/72/84/541787284.db2.gz JUWXYDWINYSHNO-GOSISDBHSA-N 2 0 367.497 2.001 50 0 FEAARP c1c(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)nn2c1C[NH2+]CCC2 ZINC000072164134 541793570 /nfs/dbraw/zinc/79/35/70/541793570.db2.gz DYWJLOGEJUWCIJ-UHFFFAOYSA-N 2 0 365.525 2.052 50 0 FEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](CCOc3ccc(C)c(C)c3)CC[C@H]21 ZINC000072429612 541811767 /nfs/dbraw/zinc/81/17/67/541811767.db2.gz OYSHVRRFQPNWHM-AZUAARDMSA-N 2 0 359.514 2.215 50 0 FEAARP CCc1nc(C)sc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH2+]C)C1 ZINC000072427789 208858328 /nfs/dbraw/zinc/85/83/28/208858328.db2.gz ITLSZCHJQJSBTA-GOEBONIOSA-N 2 0 350.532 2.046 50 0 FEAARP C[NH+](C)CCO[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000219258461 132273833 /nfs/dbraw/zinc/27/38/33/132273833.db2.gz WNUFFQVBFBWXFB-WOJBJXKFSA-N 2 0 365.493 2.120 50 0 FEAARP O=C(NCC[NH+]1CCC(O)CC1)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000219060569 548691167 /nfs/dbraw/zinc/69/11/67/548691167.db2.gz PKYJTZJWAMTHJV-UHFFFAOYSA-N 2 0 359.514 2.249 50 0 FEAARP CN1CCC[N@H+](C)CC12CC[NH+](C[C@@H]1CC(=O)N(c3ccccc3)C1)CC2 ZINC000299791954 553615239 /nfs/dbraw/zinc/61/52/39/553615239.db2.gz GJBYKZVNEWXYBQ-IBGZPJMESA-N 2 0 370.541 2.141 50 0 FEAARP c1cnc(N2CCOCC2)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000333067701 554567648 /nfs/dbraw/zinc/56/76/48/554567648.db2.gz OEQZGIBRWMCYDR-UHFFFAOYSA-N 2 0 353.470 2.072 50 0 FEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)nc3)CC[C@H]21 ZINC000072480044 541821538 /nfs/dbraw/zinc/82/15/38/541821538.db2.gz FMEMYNDQAPXWGM-LSDHHAIUSA-N 2 0 370.419 2.133 50 0 FEAARP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+]([C@@H]3CCOC3)CC2)OC1=O ZINC000072479936 541821743 /nfs/dbraw/zinc/82/17/43/541821743.db2.gz SYQNKRCRONAZMR-QGZVFWFLSA-N 2 0 353.507 2.040 50 0 FEAARP CCC[C@@H](C(=O)NCCCCCCNC(=O)[C@H](CCC)[NH+](C)C)[NH+](C)C ZINC000004530322 207026384 /nfs/dbraw/zinc/02/63/84/207026384.db2.gz NPRGXIACRQKLQF-ROUUACIJSA-N 2 0 370.582 2.240 50 0 FEAARP Cc1cc(N2CCC([NH2+]CCCc3ncc[nH]3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095515177 132213624 /nfs/dbraw/zinc/21/36/24/132213624.db2.gz FYOXGYYQLLCYJS-UHFFFAOYSA-N 2 0 369.517 2.300 50 0 FEAARP C[NH+]1CCC(C)(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000426369166 263567375 /nfs/dbraw/zinc/56/73/75/263567375.db2.gz JGMYCPGMAIFFSO-LJQANCHMSA-N 2 0 359.514 2.126 50 0 FEAARP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)C2 ZINC000192438755 328318811 /nfs/dbraw/zinc/31/88/11/328318811.db2.gz QRVBLKOOGRTUHW-LJQANCHMSA-N 2 0 366.509 2.489 50 0 FEAARP CCc1cc(N2CCC([NH2+][C@H]3CC[C@@H]([NH3+])CC3)CC2)nc(N2CCCC2)[nH+]1 ZINC000244748587 523791970 /nfs/dbraw/zinc/79/19/70/523791970.db2.gz OKHXMFHRSJERJF-MAEOIBBWSA-N 3 0 372.561 2.468 50 0 FEAARP [NH3+][C@H]1C[C@@H](c2nnc(COc3ccc4c(c3)CC[NH2+]CC4)n2C2CC2)C1 ZINC000219888044 548697652 /nfs/dbraw/zinc/69/76/52/548697652.db2.gz WTLDIMBMBOCVPL-WKILWMFISA-N 2 0 353.470 2.085 50 0 FEAARP COc1ccc(/C=C/CN2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)cc1 ZINC000221290308 548704406 /nfs/dbraw/zinc/70/44/06/548704406.db2.gz GSNCJAVSWPGALY-KOXUSJRISA-N 2 0 370.497 2.406 50 0 FEAARP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC000221242684 548704427 /nfs/dbraw/zinc/70/44/27/548704427.db2.gz ZYZPNVIKUCCKRN-FQEVSTJZSA-N 2 0 353.470 2.365 50 0 FEAARP O=C(CC[NH2+][C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O)NC1CCCCC1 ZINC000072474248 541818376 /nfs/dbraw/zinc/81/83/76/541818376.db2.gz XRLMOEUWZNKPQN-RTWAWAEBSA-N 2 0 371.525 2.152 50 0 FEAARP Cn1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)cc2cc(F)ccc21 ZINC000072481306 541822284 /nfs/dbraw/zinc/82/22/84/541822284.db2.gz MRQQREZPKFJKOT-IFXJQAMLSA-N 2 0 358.461 2.089 50 0 FEAARP O[C@H](COc1ccc(C[NH2+]CCCn2cccn2)cc1)C[NH+]1CCCCC1 ZINC000011874895 207327333 /nfs/dbraw/zinc/32/73/33/207327333.db2.gz KWOFNKJWZASASS-FQEVSTJZSA-N 2 0 372.513 2.289 50 0 FEAARP COc1cc(C[NH2+]C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012430739 207374725 /nfs/dbraw/zinc/37/47/25/207374725.db2.gz FBYGYPSPOHNEPW-INIZCTEOSA-N 2 0 368.543 2.372 50 0 FEAARP CCc1cc(N2CCC([NH2+]CCc3cccnc3)CC2)nc(N(C)C)[nH+]1 ZINC000095518100 132213427 /nfs/dbraw/zinc/21/34/27/132213427.db2.gz ODZLMRDTPWILPN-UHFFFAOYSA-N 2 0 354.502 2.301 50 0 FEAARP COc1ccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])cc1Cl ZINC000091441604 542807701 /nfs/dbraw/zinc/80/77/01/542807701.db2.gz ZNJTWDDYFKGPDG-SJORKVTESA-N 2 0 354.878 2.039 50 0 FEAARP C[C@@H]1C[C@@H](N(C)C(=O)C[NH2+]C[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269265439 525245277 /nfs/dbraw/zinc/24/52/77/525245277.db2.gz OTMPFKBIDHNECQ-YZGWKJHDSA-N 2 0 359.514 2.267 50 0 FEAARP C[NH2+]Cc1cn(C2CC[NH+](Cc3cccn3-c3nccs3)CC2)nn1 ZINC000023367784 670047343 /nfs/dbraw/zinc/04/73/43/670047343.db2.gz YLDNSBVFLDOHSM-UHFFFAOYSA-N 2 0 357.487 2.082 50 0 FEAARP OC[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CC12CC[NH2+]CC2 ZINC000169789468 672322396 /nfs/dbraw/zinc/32/23/96/672322396.db2.gz SMMYMIBRSGSALV-CYBMUJFWSA-N 2 0 357.267 2.382 50 0 FEAARP Oc1cccc(CN2CCC([NH2+]C[C@]3(O)CCC[N@@H+]4CCCC[C@@H]43)CC2)c1 ZINC000063856200 541189147 /nfs/dbraw/zinc/18/91/47/541189147.db2.gz NIDMTCYVVRVLJO-FGZHOGPDSA-N 2 0 373.541 2.326 50 0 FEAARP COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)c1OCCn1ccnc1 ZINC000102481133 209236391 /nfs/dbraw/zinc/23/63/91/209236391.db2.gz JKBJJQNRXWELMG-PIIMJCKOSA-N 2 0 357.454 2.458 50 0 FEAARP C[NH+]1CCC(O)(C(=O)NCC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000097495390 209182548 /nfs/dbraw/zinc/18/25/48/209182548.db2.gz IGJYLRBULXPAEB-IBGZPJMESA-N 2 0 359.514 2.004 50 0 FEAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000072143828 541786884 /nfs/dbraw/zinc/78/68/84/541786884.db2.gz JUWXYDWINYSHNO-SFHVURJKSA-N 2 0 367.497 2.001 50 0 FEAARP c1coc(C[NH+]2CCC(n3ccnc3-c3cc4n(n3)CC[NH2+]C4)CC2)c1 ZINC000072469213 541817400 /nfs/dbraw/zinc/81/74/00/541817400.db2.gz SPANCCRAUZKFDI-UHFFFAOYSA-N 2 0 352.442 2.280 50 0 FEAARP CCc1ccccc1OCCN(C)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072448324 541815783 /nfs/dbraw/zinc/81/57/83/541815783.db2.gz FWZIBKYWQUIZPZ-SFHVURJKSA-N 2 0 359.514 2.160 50 0 FEAARP O[C@H](COc1ccccc1C[NH2+]Cc1cccnc1)C[NH+]1CCSCC1 ZINC000012373729 207368269 /nfs/dbraw/zinc/36/82/69/207368269.db2.gz JGUYWLGWUOIOHC-IBGZPJMESA-N 2 0 373.522 2.160 50 0 FEAARP C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(CC3CC[NH2+]CC3)c2)CC1 ZINC000072144882 208807383 /nfs/dbraw/zinc/80/73/83/208807383.db2.gz HEICXTBCQUENRV-QFIPXVFZSA-N 2 0 373.541 2.148 50 0 FEAARP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)c2ccc(O)c(OC)c2)CC1 ZINC000072419583 208853506 /nfs/dbraw/zinc/85/35/06/208853506.db2.gz GPIXXARTTDXAQX-SJORKVTESA-N 2 0 361.486 2.126 50 0 FEAARP C[NH+]1CCC(CNc2ncnc3c2CC[NH2+]CC3)(c2ccccc2)CC1 ZINC000072478981 208874110 /nfs/dbraw/zinc/87/41/10/208874110.db2.gz JGDVJFVECZWPBS-UHFFFAOYSA-N 2 0 351.498 2.240 50 0 FEAARP CCc1cc(N2CCC([NH2+]C[C@H]3CCCO3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095521914 132214130 /nfs/dbraw/zinc/21/41/30/132214130.db2.gz AJTWGGFMIZVWFB-GOSISDBHSA-N 2 0 359.518 2.377 50 0 FEAARP Cc1cc(N2CC[NH+](C[C@H](C)Cc3ccc4c(c3)OCO4)CC2)nc(N)[nH+]1 ZINC000215914970 132270890 /nfs/dbraw/zinc/27/08/90/132270890.db2.gz GLSNHEYEJJWFCT-CQSZACIVSA-N 2 0 369.469 2.097 50 0 FEAARP C[N@H+](CCc1ccccc1)Cc1cc(C(=O)N2CC[NH+]3CCC[C@H]3C2)no1 ZINC000244678831 522951702 /nfs/dbraw/zinc/95/17/02/522951702.db2.gz ILBXDEZLMOIEDS-SFHVURJKSA-N 2 0 368.481 2.269 50 0 FEAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000172791990 546267290 /nfs/dbraw/zinc/26/72/90/546267290.db2.gz ATWOVXPUPSYYAA-AEFFLSMTSA-N 2 0 369.550 2.268 50 0 FEAARP Cc1nnc([C@H]2CCCN2CCN2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000241081934 548884705 /nfs/dbraw/zinc/88/47/05/548884705.db2.gz YSUPSFLLKOYGDU-LJQANCHMSA-N 2 0 354.502 2.068 50 0 FEAARP O=C(NCC[NH+]1CCC(CO)CC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299786430 553614307 /nfs/dbraw/zinc/61/43/07/553614307.db2.gz UEJMARSBRGQHJX-HBMCJLEFSA-N 2 0 371.525 2.033 50 0 FEAARP Cc1ccc(O)c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)n1 ZINC000108420618 570906017 /nfs/dbraw/zinc/90/60/17/570906017.db2.gz ZZBVUBCPLANJFO-SFHVURJKSA-N 2 0 368.481 2.083 50 0 FEAARP [NH3+]Cc1cn(C[C@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)nn1 ZINC000023540702 670049491 /nfs/dbraw/zinc/04/94/91/670049491.db2.gz PRVIQDZIDUQKIT-ZDUSSCGKSA-N 2 0 351.401 2.250 50 0 FEAARP C[NH+](C)CCN1CC2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)OC1=O ZINC000072426739 541811183 /nfs/dbraw/zinc/81/11/83/541811183.db2.gz TWLBGPDLIORCRX-UHFFFAOYSA-N 2 0 373.457 2.018 50 0 FEAARP O=C1OC2(CN1CCOc1ccccc1)CC[NH+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000072430028 541811668 /nfs/dbraw/zinc/81/16/68/541811668.db2.gz NYCBGMCVJJZZOV-GOSISDBHSA-N 2 0 373.497 2.352 50 0 FEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](C/C=C/c3ccc(OC)cc3)CC[C@H]21 ZINC000072432432 541812772 /nfs/dbraw/zinc/81/27/72/541812772.db2.gz ILIMIYKCWLFUNU-ABQVSZSXSA-N 2 0 357.498 2.241 50 0 FEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(Cc1cnn(C)c1)C1CC1)CC[NH+](C)CC2 ZINC000072475110 541819628 /nfs/dbraw/zinc/81/96/28/541819628.db2.gz MTEGMFIBCUYGFI-LJQANCHMSA-N 2 0 373.545 2.107 50 0 FEAARP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CC[NH+](C2CCCCCC2)CC1 ZINC000091664787 542818723 /nfs/dbraw/zinc/81/87/23/542818723.db2.gz CEPMEVUWGUYOHQ-UHFFFAOYSA-N 2 0 374.577 2.465 50 0 FEAARP Cc1nn(C)c(C)c1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420563 543289764 /nfs/dbraw/zinc/28/97/64/543289764.db2.gz SMVINDHISVUMBE-LJQANCHMSA-N 2 0 369.513 2.024 50 0 FEAARP CC[NH+](CC)Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)c(-c2ccccc2)o1 ZINC000082098887 520744193 /nfs/dbraw/zinc/74/41/93/520744193.db2.gz TZCJZHBDIFFTCK-RTBURBONSA-N 2 0 371.481 2.323 50 0 FEAARP COCC[N@@H+]1CC[C@H](CN(C)C(=O)C2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000220032949 548698272 /nfs/dbraw/zinc/69/82/72/548698272.db2.gz RVWGYJWCXBTFSA-LJQANCHMSA-N 2 0 373.541 2.077 50 0 FEAARP O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000222696899 548710343 /nfs/dbraw/zinc/71/03/43/548710343.db2.gz NHBBCNIZNBMGLJ-NRFANRHFSA-N 2 0 371.525 2.411 50 0 FEAARP CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+][C@H](C)C3)C2)nc2ccccc21 ZINC000253603280 549698594 /nfs/dbraw/zinc/69/85/94/549698594.db2.gz JPOIRTQITQUKTJ-IAGOWNOFSA-N 2 0 369.513 2.089 50 0 FEAARP C[NH+](C)C1(CNC(=O)C2CC[NH+](C3CCOCC3)CC2)CCCCC1 ZINC000670453639 571353476 /nfs/dbraw/zinc/35/34/76/571353476.db2.gz AKDUZFFMUZOCHC-UHFFFAOYSA-N 2 0 351.535 2.258 50 0 FEAARP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2cccnc2)C[C@H](C)O1 ZINC000067452563 541466220 /nfs/dbraw/zinc/46/62/20/541466220.db2.gz WTGOKLFQRMGRQG-CALCHBBNSA-N 2 0 357.502 2.461 50 0 FEAARP COC(=O)CCC1CC[NH+]([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1 ZINC000019787306 211255576 /nfs/dbraw/zinc/25/55/76/211255576.db2.gz PHLQFODOQXGSDL-RTWAWAEBSA-N 2 0 372.509 2.389 50 0 FEAARP C[N@H+](C1CCN(C(=O)c2cnccn2)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067688715 221271107 /nfs/dbraw/zinc/27/11/07/221271107.db2.gz KWYOYLBLJDBQKX-UHFFFAOYSA-N 2 0 359.518 2.322 50 0 FEAARP O=C(NCCF)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071576031 221352465 /nfs/dbraw/zinc/35/24/65/221352465.db2.gz OGAVQRXRHULCSQ-IBGZPJMESA-N 2 0 373.516 2.416 50 0 FEAARP C[NH+](C)CCO[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC000220219175 132275406 /nfs/dbraw/zinc/27/54/06/132275406.db2.gz MTSUKEYWECAPGJ-WOJBJXKFSA-N 2 0 365.493 2.120 50 0 FEAARP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091505758 542811002 /nfs/dbraw/zinc/81/10/02/542811002.db2.gz MHFLYRUUYAMKEZ-AZUAARDMSA-N 2 0 356.514 2.380 50 0 FEAARP CN(CC[NH+](C)C)C[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091997831 542836120 /nfs/dbraw/zinc/83/61/20/542836120.db2.gz JTAGRLMLILDHKY-NHCUHLMSSA-N 2 0 355.526 2.374 50 0 FEAARP CCOC(=O)N1CCC([NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000095457129 542970953 /nfs/dbraw/zinc/97/09/53/542970953.db2.gz PFZGZSKBDKHTMA-UHFFFAOYSA-N 2 0 353.507 2.184 50 0 FEAARP C[NH+](C)[C@@H](CNC(=O)C1CC[NH+](C2CCOCC2)CC1)c1cccs1 ZINC000097334290 222176458 /nfs/dbraw/zinc/17/64/58/222176458.db2.gz HKGRXZQDIUJSFJ-KRWDZBQOSA-N 2 0 365.543 2.358 50 0 FEAARP Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000081306124 524554015 /nfs/dbraw/zinc/55/40/15/524554015.db2.gz GMBZLJYLUIHVIJ-NRFANRHFSA-N 2 0 370.541 2.204 50 0 FEAARP C[NH+](C)CCOc1ccccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000216335122 548677611 /nfs/dbraw/zinc/67/76/11/548677611.db2.gz CWHCQDXTWOQAQC-HXUWFJFHSA-N 2 0 361.530 2.314 50 0 FEAARP COCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012452904 539560744 /nfs/dbraw/zinc/56/07/44/539560744.db2.gz AEVBYHATIVZEIW-KRWDZBQOSA-N 2 0 365.493 2.074 50 0 FEAARP C[NH+](C)C[C@]1(O)CCN(Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000072477052 541819730 /nfs/dbraw/zinc/81/97/30/541819730.db2.gz PQRBRSRQWWQJIN-OAQYLSRUSA-N 2 0 361.530 2.050 50 0 FEAARP Cc1nc(NC2CC[NH+](C[C@H]3CCCO3)CC2)cc(C2CC[NH2+]CC2)n1 ZINC000067964952 221309560 /nfs/dbraw/zinc/30/95/60/221309560.db2.gz UVSPRPGETARMJY-GOSISDBHSA-N 2 0 359.518 2.307 50 0 FEAARP CC[N@@H+]1CCc2nc[nH]c2C12CCN(c1nc(N(C)C)[nH+]c(C)c1C)CC2 ZINC000091997564 132205421 /nfs/dbraw/zinc/20/54/21/132205421.db2.gz NTAFWIRHHWZZPW-UHFFFAOYSA-N 2 0 369.517 2.256 50 0 FEAARP Cc1c[nH+]ccc1N1CCC[N@@H+](C2CCN(c3ncccn3)CC2)CC1 ZINC000095526097 132214701 /nfs/dbraw/zinc/21/47/01/132214701.db2.gz ZKBIGLFXGFZTDK-UHFFFAOYSA-N 2 0 352.486 2.361 50 0 FEAARP Cc1ccc2[nH]c(CN3CC[NH+](CC4CC[NH+](C)CC4)CC3)cc(=O)c2c1 ZINC000091434650 542807196 /nfs/dbraw/zinc/80/71/96/542807196.db2.gz UAFBRQAHUJNBHJ-UHFFFAOYSA-N 2 0 368.525 2.296 50 0 FEAARP O=C(CC[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072163666 136143230 /nfs/dbraw/zinc/14/32/30/136143230.db2.gz NYPQPPVBGZBQAK-OAQYLSRUSA-N 2 0 370.541 2.286 50 0 FEAARP C[NH+]1CCC(O)(C(=O)NCC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000097495392 222185647 /nfs/dbraw/zinc/18/56/47/222185647.db2.gz IGJYLRBULXPAEB-LJQANCHMSA-N 2 0 359.514 2.004 50 0 FEAARP CN1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)[C@@H](C[NH3+])C1 ZINC000170677296 546169985 /nfs/dbraw/zinc/16/99/85/546169985.db2.gz HJOYPFPHHFQCIF-AWEZNQCLSA-N 2 0 350.422 2.210 50 0 FEAARP C[NH+](C)[C@@H]1CCCN(Cc2ccccc2OCCCN2CC[NH+](C)CC2)C1 ZINC000216073836 548676311 /nfs/dbraw/zinc/67/63/11/548676311.db2.gz VQZQSVSPYYEGEM-OAQYLSRUSA-N 2 0 374.573 2.229 50 0 FEAARP COc1ccc(/C=C/CN2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)cc1 ZINC000221290256 548703632 /nfs/dbraw/zinc/70/36/32/548703632.db2.gz GSNCJAVSWPGALY-LWQICCLCSA-N 2 0 370.497 2.406 50 0 FEAARP COc1cc(C[NH2+]CCSC)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012315420 539554525 /nfs/dbraw/zinc/55/45/25/539554525.db2.gz HBBVOBAGXHUISL-INIZCTEOSA-N 2 0 356.532 2.228 50 0 FEAARP CC(C)[NH+]1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000014964597 539608046 /nfs/dbraw/zinc/60/80/46/539608046.db2.gz IZTCVZPZQCEQKN-IBGZPJMESA-N 2 0 373.545 2.216 50 0 FEAARP c1c(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)nn2c1C[NH2+]CC2 ZINC000072130998 541785195 /nfs/dbraw/zinc/78/51/95/541785195.db2.gz BJWJUXOYFGYHTI-UHFFFAOYSA-N 2 0 351.498 2.009 50 0 FEAARP COc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072430777 541812540 /nfs/dbraw/zinc/81/25/40/541812540.db2.gz BZPZKYNWVMZAKD-MRXNPFEDSA-N 2 0 365.905 2.381 50 0 FEAARP CCCn1ccnc1CNC(=O)[C@@H]1CC2(C[N@@H+]1CCC)CC[NH+](C)CC2 ZINC000072480234 541821382 /nfs/dbraw/zinc/82/13/82/541821382.db2.gz NETCKOIELTWOHE-KRWDZBQOSA-N 2 0 361.534 2.106 50 0 FEAARP Cc1ccc(C[NH+]2CCC(CNc3ncnc4c3CC[NH2+]CC4)CC2)o1 ZINC000072479673 541821843 /nfs/dbraw/zinc/82/18/43/541821843.db2.gz CSDGQQQBHAYVND-UHFFFAOYSA-N 2 0 355.486 2.390 50 0 FEAARP c1ccc(CN2CC[NH2+]CCN(Cc3ccccc3)CC[NH2+]CC2)cc1 ZINC000022588643 211356036 /nfs/dbraw/zinc/35/60/36/211356036.db2.gz CLXIHHGLHPVIIQ-UHFFFAOYSA-N 2 0 352.526 2.184 50 0 FEAARP COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCCc1ccccc1 ZINC000013733182 211053572 /nfs/dbraw/zinc/05/35/72/211053572.db2.gz RLJBOTUEQFSIJH-UHFFFAOYSA-N 2 0 358.482 2.378 50 0 FEAARP CC1(C)CC(NCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000000758002 210268992 /nfs/dbraw/zinc/26/89/92/210268992.db2.gz CMBCMPYRBVJZDI-UHFFFAOYSA-N 2 0 352.567 2.311 50 0 FEAARP COc1ccccc1CN1CCC[N@H+](C)CCN(C)CCC[NH+](C)CC1 ZINC000068604341 221316915 /nfs/dbraw/zinc/31/69/15/221316915.db2.gz IUEZULGGTUIKGI-UHFFFAOYSA-N 2 0 362.562 2.086 50 0 FEAARP Cc1ccnc(NCC[NH2+]C2CCN(c3cc(C)[nH+]c(N(C)C)n3)CC2)c1 ZINC000095516798 132213598 /nfs/dbraw/zinc/21/35/98/132213598.db2.gz OPLPSUIEGIQSIP-UHFFFAOYSA-N 2 0 369.517 2.225 50 0 FEAARP CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](C1CCN(c3cc(C)[nH+]c(N(C)C)n3)CC1)C2 ZINC000102850649 132236101 /nfs/dbraw/zinc/23/61/01/132236101.db2.gz RHPXPBSJAIOBMK-MNZLEMJZSA-N 2 0 359.518 2.177 50 0 FEAARP C[N@@H+]1CCCN(Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000108254434 543284395 /nfs/dbraw/zinc/28/43/95/543284395.db2.gz FDSCKNWVNAQEJA-FQEVSTJZSA-N 2 0 361.530 2.050 50 0 FEAARP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N[C@H]3CC[C@@H]([NH3+])CC3)nc2)C1 ZINC000244795104 519731048 /nfs/dbraw/zinc/73/10/48/519731048.db2.gz QZNMFKMJBMGABS-YTQUADARSA-N 2 0 373.545 2.471 50 0 FEAARP C[NH+](C)CCn1ccnc1C1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000091645551 521822316 /nfs/dbraw/zinc/82/23/16/521822316.db2.gz KSWQQSXXTFDROH-UHFFFAOYSA-N 2 0 361.534 2.027 50 0 FEAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](CCc1ccccn1)C2 ZINC000244724207 548893958 /nfs/dbraw/zinc/89/39/58/548893958.db2.gz MPUXBKQMHOQCSF-FCEUIQTBSA-N 2 0 373.541 2.464 50 0 FEAARP CCC[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000011768913 539535260 /nfs/dbraw/zinc/53/52/60/539535260.db2.gz FZWUSEVQZNHELB-IBGZPJMESA-N 2 0 364.578 2.173 50 0 FEAARP CCC[NH+]1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000012591341 539567064 /nfs/dbraw/zinc/56/70/64/539567064.db2.gz JOAZFEBTFDOCKB-IBGZPJMESA-N 2 0 373.545 2.218 50 0 FEAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC2(C=Cc3ccccc32)CC1 ZINC000072161669 541792518 /nfs/dbraw/zinc/79/25/18/541792518.db2.gz RLTIRGVWMPBAGM-IBGZPJMESA-N 2 0 351.494 2.305 50 0 FEAARP CCC[NH+]1CCC(N2CCN(c3nc(N(C)C)[nH+]c(C)c3C)CC2)CC1 ZINC000065532460 221231105 /nfs/dbraw/zinc/23/11/05/221231105.db2.gz ZUHIZRUXLVCSHC-UHFFFAOYSA-N 2 0 360.550 2.156 50 0 FEAARP CN1CC[N@H+](C)CC12CC[NH+](Cc1ccccc1Cn1cccn1)CC2 ZINC000067788316 221286275 /nfs/dbraw/zinc/28/62/75/221286275.db2.gz CPOJDTNWUTXFDK-UHFFFAOYSA-N 2 0 353.514 2.143 50 0 FEAARP CCn1c(=O)n(CC[NH+](C)C)nc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067895435 221302683 /nfs/dbraw/zinc/30/26/83/221302683.db2.gz XMCDXZFTCKUTSF-GOSISDBHSA-N 2 0 357.502 2.006 50 0 FEAARP CNc1cc(C)[nH+]c(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)n1 ZINC000095354202 132207227 /nfs/dbraw/zinc/20/72/27/132207227.db2.gz WWNVBGBBPRQUEA-INIZCTEOSA-N 2 0 357.506 2.359 50 0 FEAARP c1ccc([C@@H]2CN(c3nc(-c4cccnc4)nc4c3C[NH2+]C4)CC[NH2+]2)cc1 ZINC000072160930 136143335 /nfs/dbraw/zinc/14/33/35/136143335.db2.gz XFMUGHXIALRPHG-IBGZPJMESA-N 2 0 358.449 2.293 50 0 FEAARP C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCCC2)C1 ZINC000095352834 542957589 /nfs/dbraw/zinc/95/75/89/542957589.db2.gz HYHHNAGEKXDGRV-KRWDZBQOSA-N 2 0 361.534 2.025 50 0 FEAARP O[C@H](COc1ccccc1C[NH+]1CCC(F)CC1)C[NH+]1CCSCC1 ZINC000095512616 542978039 /nfs/dbraw/zinc/97/80/39/542978039.db2.gz JDUMCUBGLXYWFM-SFHVURJKSA-N 2 0 368.518 2.409 50 0 FEAARP COC(=O)CC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000101237036 222266791 /nfs/dbraw/zinc/26/67/91/222266791.db2.gz YQJSNAJIQYBABK-UXHICEINSA-N 2 0 359.514 2.078 50 0 FEAARP C[NH+]1CCN(CCOc2ccccc2C[N@@H+]2CCCCC[C@@H]2CO)CC1 ZINC000215864426 548674946 /nfs/dbraw/zinc/67/49/46/548674946.db2.gz ULIYXTZXOJTTDC-HXUWFJFHSA-N 2 0 361.530 2.050 50 0 FEAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237606775 548838397 /nfs/dbraw/zinc/83/83/97/548838397.db2.gz GSABEQFFZXQTPV-SVFBPWRDSA-N 2 0 372.557 2.484 50 0 FEAARP C[NH+](C)CCOc1ccccc1-c1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000534673128 562540033 /nfs/dbraw/zinc/54/00/33/562540033.db2.gz AZMMDEVLJDPCQE-SFHVURJKSA-N 2 0 353.466 2.467 50 0 FEAARP O[C@@H](COc1ccc(C[NH2+]CCCn2cccn2)cc1)C[NH+]1CCCCC1 ZINC000011874894 539537618 /nfs/dbraw/zinc/53/76/18/539537618.db2.gz KWOFNKJWZASASS-HXUWFJFHSA-N 2 0 372.513 2.289 50 0 FEAARP C[C@H]1C[NH+](CCCC[NH2+]Cc2cn(C)nc2-c2cccnc2)C[C@H](C)O1 ZINC000062252778 210081890 /nfs/dbraw/zinc/08/18/90/210081890.db2.gz WTGOKLFQRMGRQG-IRXDYDNUSA-N 2 0 357.502 2.461 50 0 FEAARP COc1cc(C[NH2+]CCSC)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012315421 539554092 /nfs/dbraw/zinc/55/40/92/539554092.db2.gz HBBVOBAGXHUISL-MRXNPFEDSA-N 2 0 356.532 2.228 50 0 FEAARP CC1(C)C=C(N2CCN(C3=CC(C)(C)[NH2+]C(C)(C)C3)CC2)CC(C)(C)[NH2+]1 ZINC000053621488 540546184 /nfs/dbraw/zinc/54/61/84/540546184.db2.gz RZPLTVYMCOCISZ-UHFFFAOYSA-N 2 0 360.590 2.417 50 0 FEAARP COCCCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072145201 541787966 /nfs/dbraw/zinc/78/79/66/541787966.db2.gz RGUUHAKXHAROPF-IBGZPJMESA-N 2 0 359.514 2.092 50 0 FEAARP COC1(c2ccccc2)CCN(C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)CC1 ZINC000072409407 541806338 /nfs/dbraw/zinc/80/63/38/541806338.db2.gz CNODCRGTIPIVDE-IBGZPJMESA-N 2 0 371.525 2.225 50 0 FEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCCc1ccncc1)CC[NH+](C)CC2 ZINC000072430967 541812786 /nfs/dbraw/zinc/81/27/86/541812786.db2.gz IJHABZXIDCDYJT-IBGZPJMESA-N 2 0 358.530 2.327 50 0 FEAARP COCCN(C(=O)c1ccc([C@H]2CCC[NH2+]2)s1)C1CC[NH+](C)CC1 ZINC000023431106 211389346 /nfs/dbraw/zinc/38/93/46/211389346.db2.gz PWNZAYPLKLLBHS-OAHLLOKOSA-N 2 0 351.516 2.355 50 0 FEAARP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)NCC)N(Cc3ccccc3)C2)CC1 ZINC000023362502 211387366 /nfs/dbraw/zinc/38/73/66/211387366.db2.gz DUNZWJKNICOXES-RTWAWAEBSA-N 2 0 372.557 2.230 50 0 FEAARP C[NH+]1CCC(N2CC[N@H+](Cc3cccc4cnccc43)C[C@@H]2CCO)CC1 ZINC000020906662 211299963 /nfs/dbraw/zinc/29/99/63/211299963.db2.gz PUJNROGAXNRZDL-NRFANRHFSA-N 2 0 368.525 2.198 50 0 FEAARP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC000019218918 211206628 /nfs/dbraw/zinc/20/66/28/211206628.db2.gz DTLZGYBKCCKNCI-IBGZPJMESA-N 2 0 356.514 2.284 50 0 FEAARP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCC=C(C)C)CC2)C1 ZINC000071714752 221354738 /nfs/dbraw/zinc/35/47/38/221354738.db2.gz LDKHMQNPRUJHST-GOSISDBHSA-N 2 0 351.535 2.282 50 0 FEAARP O=C(CC[NH+]1CCCCCCC1)N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095501345 542975034 /nfs/dbraw/zinc/97/50/34/542975034.db2.gz CRGLFVQOMLCXRM-OAQYLSRUSA-N 2 0 373.541 2.348 50 0 FEAARP CC(C)[NH+]1CCC(N2CC[N@@H+](C3CCSCC3)C[C@H]2CCO)CC1 ZINC000104364230 222355722 /nfs/dbraw/zinc/35/57/22/222355722.db2.gz LRAIQUWIBQGROO-LJQANCHMSA-N 2 0 355.592 2.123 50 0 FEAARP [NH3+]CCNC(=O)NCC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000426544533 559737418 /nfs/dbraw/zinc/73/74/18/559737418.db2.gz WJLFSDRLYBWZAH-UHFFFAOYSA-N 2 0 366.509 2.478 50 0 FEAARP C[NH+]1CCC(C(=O)NCCC[N@@H+]2CCCC[C@@H]2CO)(c2ccccc2)CC1 ZINC000670472094 571048071 /nfs/dbraw/zinc/04/80/71/571048071.db2.gz BLCCPHSKOHUJGS-HXUWFJFHSA-N 2 0 373.541 2.003 50 0 FEAARP NC(=[NH2+])NCCCCCCCC[NH2+]CCCCCCCCNC(N)=[NH2+] ZINC000004098976 539376146 /nfs/dbraw/zinc/37/61/46/539376146.db2.gz RONFGUROBZGJKP-UHFFFAOYSA-N 3 0 355.575 2.223 50 0 in-vitro FEAARP COc1cc(C[NH2+]C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012430740 539559339 /nfs/dbraw/zinc/55/93/39/539559339.db2.gz FBYGYPSPOHNEPW-MRXNPFEDSA-N 2 0 368.543 2.372 50 0 FEAARP COc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc2c1OCO2 ZINC000055292201 540644007 /nfs/dbraw/zinc/64/40/07/540644007.db2.gz LJKIXSQSEWIZPZ-UHFFFAOYSA-N 2 0 351.491 2.129 50 0 FEAARP C[NH+](C)CCN(Cc1ccsc1)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063848013 212033281 /nfs/dbraw/zinc/03/32/81/212033281.db2.gz UFGZMEGQTLVAHZ-RTBURBONSA-N 2 0 351.560 2.491 50 0 FEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N1CCc3[nH]nc(CC)c3C1)CC[NH+](C)CC2 ZINC000072411523 541807129 /nfs/dbraw/zinc/80/71/29/541807129.db2.gz IZJIOMSPNBAISL-IBGZPJMESA-N 2 0 373.545 2.053 50 0 FEAARP COc1ccc(CCNC(=[NH2+])NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000058342022 212004302 /nfs/dbraw/zinc/00/43/02/212004302.db2.gz GOZABXDUNPMVFH-UHFFFAOYSA-N 2 0 370.497 2.492 50 0 FEAARP CC[NH+](CC)[C@H]1CCN(C(=O)C2(Oc3ccc(C)cc3)CC[NH2+]CC2)C1 ZINC000065395005 221209693 /nfs/dbraw/zinc/20/96/93/221209693.db2.gz IVTNNSVHSOZYEX-SFHVURJKSA-N 2 0 359.514 2.439 50 0 FEAARP Cc1nn(CC[N@@H+]2CC[C@H](CO)C2)cc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000065394468 221210228 /nfs/dbraw/zinc/21/02/28/221210228.db2.gz UEBHHUJWXIPVKZ-KRWDZBQOSA-N 2 0 362.905 2.449 50 0 FEAARP Cc1ccc(C2(C[NH+]3CCC(c4nncn4C)CC3)CC[NH2+]CC2)nc1 ZINC000065417149 221216662 /nfs/dbraw/zinc/21/66/62/221216662.db2.gz DHSFKKIDLIDWNC-UHFFFAOYSA-N 2 0 354.502 2.019 50 0 FEAARP Cc1ccsc1[C@@H](CNc1nc(N(C)C)nc2c1CC[NH2+]C2)[NH+](C)C ZINC000067673356 221267383 /nfs/dbraw/zinc/26/73/83/221267383.db2.gz CMTCENAKZNQRMZ-OAHLLOKOSA-N 2 0 360.531 2.273 50 0 FEAARP Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000071753022 221364107 /nfs/dbraw/zinc/36/41/07/221364107.db2.gz YUWZCCMOFBYQDM-KRWDZBQOSA-N 2 0 361.534 2.261 50 0 FEAARP Cc1n[nH]c(C)c1CCC[NH2+][C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072172858 221448016 /nfs/dbraw/zinc/44/80/16/221448016.db2.gz BPHVBWUQVQZNMV-UXHICEINSA-N 2 0 354.498 2.286 50 0 FEAARP CC(C)c1ncc(C[NH+]2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cn1 ZINC000091350987 542805503 /nfs/dbraw/zinc/80/55/03/542805503.db2.gz OPWVYQZOVIDPBK-UHFFFAOYSA-N 2 0 373.545 2.366 50 0 FEAARP OCC[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095520837 542980255 /nfs/dbraw/zinc/98/02/55/542980255.db2.gz FVFSULRYPBUPGS-QFIPXVFZSA-N 2 0 358.526 2.339 50 0 FEAARP Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)nc(N2CCCC2)[nH+]1 ZINC000108269371 543284752 /nfs/dbraw/zinc/28/47/52/543284752.db2.gz ICVZTKPOTRBYSK-LJQANCHMSA-N 2 0 367.497 2.068 50 0 FEAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2CO)CC1 ZINC000091381587 521686054 /nfs/dbraw/zinc/68/60/54/521686054.db2.gz PMGJLUDLYRGDBH-QZTJIDSGSA-N 2 0 351.922 2.018 50 0 FEAARP C[NH+]1CCN(CCOc2ccccc2C[N@@H+]2CCCCC[C@H]2CO)CC1 ZINC000215864473 548674378 /nfs/dbraw/zinc/67/43/78/548674378.db2.gz ULIYXTZXOJTTDC-FQEVSTJZSA-N 2 0 361.530 2.050 50 0 FEAARP C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)CCN2CC[NH+](C)CC2)cc1 ZINC000219726396 548696618 /nfs/dbraw/zinc/69/66/18/548696618.db2.gz HKNIKSUWJSYTIT-HXUWFJFHSA-N 2 0 358.530 2.049 50 0 FEAARP Cc1nnc([C@H]2CC3(CN2CCO)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000257190089 549714442 /nfs/dbraw/zinc/71/44/42/549714442.db2.gz LEGKLZXCTWEYTR-GOSISDBHSA-N 2 0 356.470 2.400 50 0 FEAARP [NH3+]C[C@@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccc2ccccc2c1 ZINC000262741692 549844924 /nfs/dbraw/zinc/84/49/24/549844924.db2.gz JCFOFTVTOIQJLI-UYAOXDASSA-N 2 0 363.465 2.391 50 0 FEAARP O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584894053 571315077 /nfs/dbraw/zinc/31/50/77/571315077.db2.gz SOGVYLAKOGMGSX-KRWDZBQOSA-N 2 0 357.502 2.178 50 0 FEAARP COc1ccc(C[NH2+]CCSC)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011844397 669999987 /nfs/dbraw/zinc/99/99/87/669999987.db2.gz YYNPVUFKKUKQQT-MRXNPFEDSA-N 2 0 356.532 2.228 50 0 FEAARP COCC[N@@H+]1C[C@H](CO)C2(C1)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000169789528 672322526 /nfs/dbraw/zinc/32/25/26/672322526.db2.gz CQIDJGMDQZWCMZ-MRXNPFEDSA-N 2 0 354.441 2.118 50 0 FEAARP c1c(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)nn2c1C[NH2+]CCC2 ZINC000072128468 541785208 /nfs/dbraw/zinc/78/52/08/541785208.db2.gz APHNNKXSXXZCRV-NRFANRHFSA-N 2 0 365.525 2.052 50 0 FEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1nccn1CC)CC[NH+](C)CC2 ZINC000072479956 541821601 /nfs/dbraw/zinc/82/16/01/541821601.db2.gz FSNDPNLQCCORIL-KRWDZBQOSA-N 2 0 361.534 2.058 50 0 FEAARP [NH3+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc4cccc(F)c4n3)CC[C@H]21 ZINC000072481092 541822787 /nfs/dbraw/zinc/82/27/87/541822787.db2.gz KNZWNJPIVDQICA-MAUKXSAKSA-N 2 0 356.445 2.146 50 0 FEAARP O[C@H]1[C@H](N2CCC([NH+]3CCCC3)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000019794351 211255363 /nfs/dbraw/zinc/25/53/63/211255363.db2.gz PQEJSFWDCNQKCV-RTWAWAEBSA-N 2 0 355.526 2.284 50 0 FEAARP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(N(C)C)n2)CC1)c1cnn(C)c1 ZINC000095369982 132208659 /nfs/dbraw/zinc/20/86/59/132208659.db2.gz AZLIZFPOBSLTEB-QGZVFWFLSA-N 2 0 357.506 2.294 50 0 FEAARP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)OCCO4)CC2)nc(N)[nH+]1 ZINC000095385373 132210009 /nfs/dbraw/zinc/21/00/09/132210009.db2.gz LUUXGCYIEKLDNF-AWEZNQCLSA-N 2 0 369.469 2.458 50 0 FEAARP Cc1[nH+]c(N(C)C)nc(N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c1C ZINC000095505584 132212688 /nfs/dbraw/zinc/21/26/88/132212688.db2.gz WPHKLEKKQICUGF-KRWDZBQOSA-N 2 0 371.533 2.302 50 0 FEAARP CN(CC[NH+](C)C)C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@@H]1CO ZINC000091860463 542829039 /nfs/dbraw/zinc/82/90/39/542829039.db2.gz PARPIICOFNBXCU-HZPDHXFCSA-N 2 0 357.901 2.013 50 0 FEAARP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4[nH]ccc4c3)C[C@H]2CCCO)CC1 ZINC000091973696 542834647 /nfs/dbraw/zinc/83/46/47/542834647.db2.gz CUXONFGLCYVUTF-IRLDBZIGSA-N 2 0 370.541 2.378 50 0 FEAARP COc1cccc(C)c1NC(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000096148834 222050826 /nfs/dbraw/zinc/05/08/26/222050826.db2.gz BGOHAJNAKYEBBW-UHFFFAOYSA-N 2 0 360.502 2.495 50 0 FEAARP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000101385254 222272595 /nfs/dbraw/zinc/27/25/95/222272595.db2.gz SUXPSJLNGRLVJE-WOJBJXKFSA-N 2 0 354.498 2.479 50 0 FEAARP C[C@@H](c1ccc(C(=O)NCc2cc3n(n2)CCC[NH2+]C3)o1)[NH+]1CCCCC1 ZINC000082134875 526035387 /nfs/dbraw/zinc/03/53/87/526035387.db2.gz JCNLEGBNNGFWTH-HNNXBMFYSA-N 2 0 371.485 2.446 50 0 FEAARP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262674814 526743687 /nfs/dbraw/zinc/74/36/87/526743687.db2.gz RALBPLUQMHSEPT-DQLDELGASA-N 2 0 371.525 2.180 50 0 FEAARP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cc(N2CC[NH+](C)CC2)c1 ZINC000252489630 549668521 /nfs/dbraw/zinc/66/85/21/549668521.db2.gz JVDNKWISBBCWSS-QGZVFWFLSA-N 2 0 359.518 2.210 50 0 FEAARP CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCC2([NH+]3CCCCC3)CCCC2)C1 ZINC000670472613 571053427 /nfs/dbraw/zinc/05/34/27/571053427.db2.gz WMGAMECRNQGOAC-SFHVURJKSA-N 2 0 351.535 2.401 50 0 FEAARP [NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)Cc1cccc2ccccc21 ZINC000004654875 539388944 /nfs/dbraw/zinc/38/89/44/539388944.db2.gz ZUINPPQIQARTKX-UHFFFAOYSA-N 3 0 370.541 2.197 50 0 in-vitro FEAARP CCc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)on1 ZINC000011817240 539536375 /nfs/dbraw/zinc/53/63/75/539536375.db2.gz NCZNPASLEPLDAX-INIZCTEOSA-N 2 0 362.518 2.438 50 0 FEAARP COCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000299769391 210017776 /nfs/dbraw/zinc/01/77/76/210017776.db2.gz MUUIZHQZNKWOEX-OAQYLSRUSA-N 2 0 373.541 2.341 50 0 FEAARP COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000034925614 539978360 /nfs/dbraw/zinc/97/83/60/539978360.db2.gz YQJSNAJIQYBABK-VQTJNVASSA-N 2 0 359.514 2.078 50 0 FEAARP CN(Cc1cc2n(n1)CCC[NH2+]C2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072168625 541795014 /nfs/dbraw/zinc/79/50/14/541795014.db2.gz KYTMRMXKWBUWQX-IBGZPJMESA-N 2 0 353.514 2.330 50 0 FEAARP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+]([C@H]3CCCOC3)CC2)OC1=O ZINC000072423377 541810011 /nfs/dbraw/zinc/81/00/11/541810011.db2.gz MJPPZSOFMZXLLO-SFHVURJKSA-N 2 0 367.534 2.430 50 0 FEAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCSC)cc1OC ZINC000015067319 211117852 /nfs/dbraw/zinc/11/78/52/211117852.db2.gz QTTQKOYYNWLERB-MRXNPFEDSA-N 2 0 356.532 2.229 50 0 FEAARP CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@@H]([NH+]1CCCCC1)C2 ZINC000014532401 211094795 /nfs/dbraw/zinc/09/47/95/211094795.db2.gz LEMGAEYHXKHYPB-QGZVFWFLSA-N 2 0 373.545 2.024 50 0 FEAARP COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccccc1F ZINC000013732836 211054151 /nfs/dbraw/zinc/05/41/51/211054151.db2.gz NZFPIEZJSVGXDR-UHFFFAOYSA-N 2 0 362.445 2.475 50 0 FEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3c[nH]nc3C3CCCCC3)CC[C@H]21 ZINC000077406274 542378685 /nfs/dbraw/zinc/37/86/85/542378685.db2.gz NNBSNTQYPIHJMQ-PKOBYXMFSA-N 2 0 373.545 2.490 50 0 FEAARP CCc1cc(N2CCC([NH2+]Cc3[nH]cnc3C)CC2)nc(N2CCCC2)[nH+]1 ZINC000095529967 132214960 /nfs/dbraw/zinc/21/49/60/132214960.db2.gz BHEHKBSNWDXNLE-UHFFFAOYSA-N 2 0 369.517 2.429 50 0 FEAARP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CC(=O)N3CCOCC3)CC2)C1 ZINC000091694718 542820753 /nfs/dbraw/zinc/82/07/53/542820753.db2.gz HXNXMSHKKMLBBY-FQEVSTJZSA-N 2 0 371.525 2.047 50 0 FEAARP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)C[NH+]2CCCC2)C3)cc1 ZINC000095353620 542957769 /nfs/dbraw/zinc/95/77/69/542957769.db2.gz GKENMVCVMZTKME-RBUKOAKNSA-N 2 0 357.498 2.214 50 0 FEAARP CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000095941567 542983621 /nfs/dbraw/zinc/98/36/21/542983621.db2.gz BWCRJRATABFZQV-PMACEKPBSA-N 2 0 360.546 2.212 50 0 FEAARP CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCC[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000097601018 222196688 /nfs/dbraw/zinc/19/66/88/222196688.db2.gz KZNLPJUFSIDOCC-NRFANRHFSA-N 2 0 373.541 2.482 50 0 FEAARP C[NH+]1CCC(C[NH+]2CCN(C(=O)[C@@H]3CCOc4ccccc4C3)CC2)CC1 ZINC000097823624 222216524 /nfs/dbraw/zinc/21/65/24/222216524.db2.gz FGOQBVCNROKSFT-HXUWFJFHSA-N 2 0 371.525 2.114 50 0 FEAARP [NH3+][C@H]1C[C@H](c2nnc(COc3ccc4c(c3)CC[NH2+]CC4)n2C2CC2)C1 ZINC000218984773 548691744 /nfs/dbraw/zinc/69/17/44/548691744.db2.gz WTLDIMBMBOCVPL-IYBDPMFKSA-N 2 0 353.470 2.085 50 0 FEAARP Cn1c(COc2ccc(C[NH+]3CCCC3)cc2F)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244734832 548893766 /nfs/dbraw/zinc/89/37/66/548893766.db2.gz NMOWUTFLAKFLGK-GASCZTMLSA-N 2 0 359.449 2.334 50 0 FEAARP CCn1c(CN2CCC(C[NH+]3CCCCC3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244735081 548893776 /nfs/dbraw/zinc/89/37/76/548893776.db2.gz NSTHSCSPFBCADX-HDICACEKSA-N 2 0 360.550 2.201 50 0 FEAARP CN(Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C)Cc1ccccc1C[NH+]1CCCC1 ZINC000244882603 548898466 /nfs/dbraw/zinc/89/84/66/548898466.db2.gz XUVZWTWTHPLKEO-WGSAOQKQSA-N 2 0 368.529 2.248 50 0 FEAARP COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OCC[NH3+])c1 ZINC000426581325 559738257 /nfs/dbraw/zinc/73/82/57/559738257.db2.gz SPJQIWJUZZTPKU-KRWDZBQOSA-N 2 0 369.465 2.037 50 0 FEAARP COc1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc(OC)c1 ZINC000078459282 571141287 /nfs/dbraw/zinc/14/12/87/571141287.db2.gz XKGZSACWTWOFQI-UHFFFAOYSA-N 2 0 356.470 2.140 50 0 FEAARP COc1ccc(C[NH2+]CCSC)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012475097 220000104 /nfs/dbraw/zinc/00/01/04/220000104.db2.gz TVUQEGCEGCGKHS-KRWDZBQOSA-N 2 0 368.543 2.373 50 0 FEAARP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H]1C[NH2+]C[C@@H](COc2cccc(F)c2)C1 ZINC000014535724 220125474 /nfs/dbraw/zinc/12/54/74/220125474.db2.gz QQTUXMYPPDXFIN-LZLYRXPVSA-N 2 0 363.477 2.031 50 0 FEAARP Cc1cc(N2CCC[C@@](O)(C[NH+]3CCCC3)C2)nc(N2CCCCC2)[nH+]1 ZINC000082157537 132197731 /nfs/dbraw/zinc/19/77/31/132197731.db2.gz FITBXSUDZYWJAQ-HXUWFJFHSA-N 2 0 359.518 2.202 50 0 FEAARP CCc1oc(C(=O)NCc2cc3n(n2)CCC[NH2+]C3)cc1C[NH+]1CCCC1 ZINC000096162406 542994236 /nfs/dbraw/zinc/99/42/36/542994236.db2.gz KYFNXSUVURCONN-UHFFFAOYSA-N 2 0 371.485 2.058 50 0 FEAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCCSc2ccc(Cl)cc2)C1 ZINC000096162089 222061518 /nfs/dbraw/zinc/06/15/18/222061518.db2.gz QHRZRDXGIXMEAK-CXAGYDPISA-N 2 0 353.919 2.090 50 0 FEAARP C[NH+]1CCC(N(CCc2ccccc2)C(=O)NCC[NH+]2CCCC2)CC1 ZINC000426435009 263591013 /nfs/dbraw/zinc/59/10/13/263591013.db2.gz UISRFNMTRLJFFB-UHFFFAOYSA-N 2 0 358.530 2.431 50 0 FEAARP C[NH+](C)CCOc1ccc(C[NH2+]C2CCN(c3ncccn3)CC2)cc1 ZINC000048712981 535905199 /nfs/dbraw/zinc/90/51/99/535905199.db2.gz JNYKFIGPXSUFEO-UHFFFAOYSA-N 2 0 355.486 2.176 50 0 FEAARP CC[NH+]1CCN(CCOc2ccc(C[NH+]3CCC(OC)CC3)cc2)CC1 ZINC000216228241 548675906 /nfs/dbraw/zinc/67/59/06/548675906.db2.gz LGKMJKXTLOKMNA-UHFFFAOYSA-N 2 0 361.530 2.314 50 0 FEAARP C[C@@H](CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCOCC1 ZINC000218834423 548690516 /nfs/dbraw/zinc/69/05/16/548690516.db2.gz FJHNXSUXXVBGRL-SFHVURJKSA-N 2 0 359.514 2.400 50 0 FEAARP Cc1nnc([C@@H]2CCCN2CCN2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000241081933 548884719 /nfs/dbraw/zinc/88/47/19/548884719.db2.gz YSUPSFLLKOYGDU-IBGZPJMESA-N 2 0 354.502 2.068 50 0 FEAARP O=C(NCC[NH+]1CCCCC1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000426490044 559735804 /nfs/dbraw/zinc/73/58/04/559735804.db2.gz JJTKBGCWOFOHHB-UHFFFAOYSA-N 2 0 370.541 2.357 50 0 FEAARP O=C(NCC[N@H+]1CCC[C@@H](CO)C1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299763492 223086421 /nfs/dbraw/zinc/08/64/21/223086421.db2.gz NSBBHROQQJHTHJ-LJQANCHMSA-N 2 0 374.529 2.498 50 0 FEAARP CO[C@H]1[C@H](NC(=O)C[NH+]2CCCCCC2)c2ccccc2C12CC[NH2+]CC2 ZINC000072456642 541816641 /nfs/dbraw/zinc/81/66/41/541816641.db2.gz QTADYIWXGULVMI-RTWAWAEBSA-N 2 0 371.525 2.370 50 0 FEAARP CCCn1ccnc1CNC(=O)[C@H]1CC2(C[N@@H+]1CCC)CC[NH+](C)CC2 ZINC000072480235 541821330 /nfs/dbraw/zinc/82/13/30/541821330.db2.gz NETCKOIELTWOHE-QGZVFWFLSA-N 2 0 361.534 2.106 50 0 FEAARP CCC[NH+](CCC)Cc1ccc(C(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC000055414460 221069753 /nfs/dbraw/zinc/06/97/53/221069753.db2.gz ALGFUEOYKGCOKC-UHFFFAOYSA-N 2 0 361.530 2.495 50 0 FEAARP [NH2+]=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCc1ccccc1 ZINC000057752172 221093238 /nfs/dbraw/zinc/09/32/38/221093238.db2.gz QEPHDZFMFSEWDD-UHFFFAOYSA-N 2 0 351.498 2.118 50 0 FEAARP COCC[N@H+](C)C[C@H]1C[C@H](CO)C[NH+](Cc2ccc3ncccc3c2)C1 ZINC000091460867 542808951 /nfs/dbraw/zinc/80/89/51/542808951.db2.gz QIDQPCVTONNJGT-MOPGFXCFSA-N 2 0 357.498 2.243 50 0 FEAARP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCCn3cnnn3)CC2)C1 ZINC000096130683 222036308 /nfs/dbraw/zinc/03/63/08/222036308.db2.gz CZVMQVUHBFROFK-IBGZPJMESA-N 2 0 354.502 2.265 50 0 FEAARP C[NH+](C)CCOc1ccccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000216335173 548677647 /nfs/dbraw/zinc/67/76/47/548677647.db2.gz CWHCQDXTWOQAQC-FQEVSTJZSA-N 2 0 361.530 2.314 50 0 FEAARP [NH3+]C[C@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccc2ccccc2c1 ZINC000262741690 549844932 /nfs/dbraw/zinc/84/49/32/549844932.db2.gz JCFOFTVTOIQJLI-ICSRJNTNSA-N 2 0 363.465 2.391 50 0 FEAARP CCOC(=O)c1cc[n+](CCCCC[n+]2ccc(C(=O)OCC)cc2)cc1 ZINC000006996599 539443884 /nfs/dbraw/zinc/44/38/84/539443884.db2.gz UHUBFKZKRNUKDW-UHFFFAOYSA-N 2 0 372.465 2.486 50 0 FEAARP O[C@@H](COc1ccccc1C[NH2+]Cc1cccnc1)C[NH+]1CCSCC1 ZINC000012373728 539557493 /nfs/dbraw/zinc/55/74/93/539557493.db2.gz JGUYWLGWUOIOHC-LJQANCHMSA-N 2 0 373.522 2.160 50 0 FEAARP COCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012452899 539561023 /nfs/dbraw/zinc/56/10/23/539561023.db2.gz AEVBYHATIVZEIW-QGZVFWFLSA-N 2 0 365.493 2.074 50 0 FEAARP Cc1cccnc1C[N@H+](C)Cc1ccc(-c2nc(CC[NH3+])cc(=O)[nH]2)cc1 ZINC000023192833 539708430 /nfs/dbraw/zinc/70/84/30/539708430.db2.gz ZOZDNIHWDPGKER-UHFFFAOYSA-N 2 0 363.465 2.274 50 0 FEAARP CN(Cc1ccccc1C[NH+]1CCCC1)c1ncnc2c1CC[NH2+]CC2 ZINC000072468793 541818006 /nfs/dbraw/zinc/81/80/06/541818006.db2.gz OWYJWKHTGAOMKO-UHFFFAOYSA-N 2 0 351.498 2.397 50 0 FEAARP Cc1cc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)n(C)n1 ZINC000019607531 220281615 /nfs/dbraw/zinc/28/16/15/220281615.db2.gz HWLOHDIZMNEOSY-UXHICEINSA-N 2 0 354.498 2.240 50 0 FEAARP O=C([C@H]1CCC[N@@H+](C2CCCCC2)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000065526023 221229060 /nfs/dbraw/zinc/22/90/60/221229060.db2.gz XUFIXVQSEZFBNC-SFHVURJKSA-N 2 0 363.546 2.354 50 0 FEAARP C[N@@H+]1CCC[C@@H]1CCn1nc(C2CC[NH2+]CC2)n(Cc2ccccc2)c1=O ZINC000067908377 221304642 /nfs/dbraw/zinc/30/46/42/221304642.db2.gz MOWZTDGQWGHARO-LJQANCHMSA-N 2 0 369.513 2.044 50 0 FEAARP COc1ccc(CN2CCC[N@H+](C)CCN(C)CCC[NH+](C)CC2)cc1 ZINC000068604346 221317299 /nfs/dbraw/zinc/31/72/99/221317299.db2.gz VFVSRQPFRJDKNI-UHFFFAOYSA-N 2 0 362.562 2.086 50 0 FEAARP CC(C)(CC1Cc2ccccc2C1)NC(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072167964 221444842 /nfs/dbraw/zinc/44/48/42/221444842.db2.gz SXCHFKCWXNXFEA-IBGZPJMESA-N 2 0 355.526 2.418 50 0 FEAARP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](C3CCCCC3)CC2)C1)N1CCOCC1 ZINC000082099611 542683063 /nfs/dbraw/zinc/68/30/63/542683063.db2.gz ABOAAIOKNDXXNK-GOSISDBHSA-N 2 0 363.546 2.354 50 0 FEAARP CO[C@@H]1CCC[N@@H+](C2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)C1 ZINC000095392396 132210841 /nfs/dbraw/zinc/21/08/41/132210841.db2.gz IDRLPSYPLHUQJJ-GOSISDBHSA-N 2 0 359.518 2.465 50 0 FEAARP CC[NH+]1CCN(C2CC[NH+](Cc3cc(=O)c4cc(C)ccc4[nH]3)CC2)CC1 ZINC000091518593 542811616 /nfs/dbraw/zinc/81/16/16/542811616.db2.gz UQHUSMIJULYBDH-UHFFFAOYSA-N 2 0 368.525 2.438 50 0 FEAARP O=C(CC[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072163667 136143238 /nfs/dbraw/zinc/14/32/38/136143238.db2.gz NYPQPPVBGZBQAK-NRFANRHFSA-N 2 0 370.541 2.286 50 0 FEAARP O[C@@H](COc1ccccc1C[NH+]1CCCCC1)C[NH+]1CCSCC1 ZINC000095520385 542979054 /nfs/dbraw/zinc/97/90/54/542979054.db2.gz NMJOXADRXNPOIL-GOSISDBHSA-N 2 0 350.528 2.461 50 0 FEAARP CSc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cc1 ZINC000104433971 222358361 /nfs/dbraw/zinc/35/83/61/222358361.db2.gz KTRJJAUJBOFKIP-LJQANCHMSA-N 2 0 363.571 2.371 50 0 FEAARP Nc1nc(NC2CC[NH+](Cc3ccccc3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000219759577 548696685 /nfs/dbraw/zinc/69/66/85/548696685.db2.gz KIWNLWIMXFYOSK-UHFFFAOYSA-N 2 0 353.470 2.374 50 0 FEAARP O=C(CC[NH+]1CCC(N2CCOCC2)CC1)Nc1cccc(Cl)c1 ZINC000244794574 548895256 /nfs/dbraw/zinc/89/52/56/548895256.db2.gz QPHHQDDYIDCZOM-UHFFFAOYSA-N 2 0 351.878 2.465 50 0 FEAARP CN1CCC(CNC(=O)N2CC[C@H](c3ccc(F)cc3)C2)([NH+](C)C)CC1 ZINC000426598856 559738614 /nfs/dbraw/zinc/73/86/14/559738614.db2.gz LPTGSIPIJCLLCI-KRWDZBQOSA-N 2 0 362.493 2.351 50 0 FEAARP CC[NH+](C)C[C@@H]1CCN(c2nccnc2N2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000222208799 568504215 /nfs/dbraw/zinc/50/42/15/568504215.db2.gz MTFBSGFRQJBXLS-ROUUACIJSA-N 2 0 360.550 2.033 50 0 FEAARP Cc1ccc(O)c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)n1 ZINC000108420620 570905960 /nfs/dbraw/zinc/90/59/60/570905960.db2.gz ZZBVUBCPLANJFO-GOSISDBHSA-N 2 0 368.481 2.083 50 0 FEAARP C[N@H+](Cc1ccccc1NC(=O)NC[C@]1(O)CC[NH2+]C1)C1CCCCC1 ZINC000299788307 530003270 /nfs/dbraw/zinc/00/32/70/530003270.db2.gz WLGYEWCBTAPKSL-FQEVSTJZSA-N 2 0 360.502 2.297 50 0 FEAARP CN(CC[NH2+][C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O)c1ccccc1 ZINC000072127168 541784102 /nfs/dbraw/zinc/78/41/02/541784102.db2.gz JQDXEKNUHYCBPE-RTWAWAEBSA-N 2 0 351.494 2.449 50 0 FEAARP [NH3+][C@H]1CCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072473135 541818401 /nfs/dbraw/zinc/81/84/01/541818401.db2.gz JGTKHHXFKANQTK-AWEZNQCLSA-N 2 0 357.889 2.337 50 0 FEAARP C[NH+]1CCC(Nc2ccc(C(=O)NCC[C@@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000015069322 220144463 /nfs/dbraw/zinc/14/44/63/220144463.db2.gz SNTKAFWIJIMSED-SFHVURJKSA-N 2 0 359.518 2.192 50 0 FEAARP C[C@H](C1CC[NH+](Cc2ccc(OCC(N)=O)c(Cl)c2)CC1)[NH+](C)C ZINC000077454635 542384370 /nfs/dbraw/zinc/38/43/70/542384370.db2.gz CNPRISWFZGABLD-CYBMUJFWSA-N 2 0 353.894 2.366 50 0 FEAARP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)c1cc2n(n1)CCC[NH2+]C2 ZINC000065421683 221217697 /nfs/dbraw/zinc/21/76/97/221217697.db2.gz KQDROZSFAALDRB-UHFFFAOYSA-N 2 0 367.497 2.244 50 0 FEAARP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cn(C)nc2-c2cccnc2)C[C@@H](C)O1 ZINC000067452565 221254299 /nfs/dbraw/zinc/25/42/99/221254299.db2.gz WTGOKLFQRMGRQG-IAGOWNOFSA-N 2 0 357.502 2.461 50 0 FEAARP Cc1cc(N2CCC([NH2+]CCNc3cc[nH+]cc3C)CC2)nc(N(C)C)[nH+]1 ZINC000095510656 132213189 /nfs/dbraw/zinc/21/31/89/132213189.db2.gz CAWYPVGINDLNOP-UHFFFAOYSA-N 3 0 369.517 2.225 50 0 FEAARP Cc1c[nH+]ccc1N1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000091643761 542817143 /nfs/dbraw/zinc/81/71/43/542817143.db2.gz GKLDRPLROHGBLP-LJQANCHMSA-N 2 0 350.466 2.143 50 0 FEAARP C[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@@H+]3CCCC3(C)C)cc2)CC1 ZINC000095526623 542980860 /nfs/dbraw/zinc/98/08/60/542980860.db2.gz SHKAVZIXSLSBRI-LJQANCHMSA-N 2 0 361.530 2.048 50 0 FEAARP CNC(=O)C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000095517064 221941470 /nfs/dbraw/zinc/94/14/70/221941470.db2.gz NTFMNFGMKZWSSC-OAQYLSRUSA-N 2 0 373.541 2.434 50 0 FEAARP CC(C)CC[N@@H+]1CCN(C2CC[NH+](Cc3ccccn3)CC2)C[C@H]1CCO ZINC000106730418 222388418 /nfs/dbraw/zinc/38/84/18/222388418.db2.gz RTQRABKJOMGXRL-JOCHJYFZSA-N 2 0 374.573 2.461 50 0 FEAARP C[NH+](C)CCOc1cccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000079180828 521801919 /nfs/dbraw/zinc/80/19/19/521801919.db2.gz UVBXHRSOPAGUII-UHFFFAOYSA-N 2 0 374.529 2.397 50 0 FEAARP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)C1 ZINC000155435873 545525854 /nfs/dbraw/zinc/52/58/54/545525854.db2.gz CFWUIOFAGVXHEG-LSTHTHJFSA-N 2 0 359.514 2.029 50 0 FEAARP O[C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3OCC[NH+]3CCCCC3)C[C@H]2C[C@@H]1O ZINC000215676775 548672474 /nfs/dbraw/zinc/67/24/74/548672474.db2.gz JUNFSELWZCRPLJ-UJOPUZHASA-N 2 0 374.525 2.115 50 0 FEAARP O=C1[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CCN1c1c(F)cccc1F ZINC000252569085 549674840 /nfs/dbraw/zinc/67/48/40/549674840.db2.gz VYQAIBMJIACFCN-DFEHZGFQSA-N 2 0 361.436 2.486 50 0 FEAARP Cc1nnc([C@H]2CC3(CN2Cc2cccnc2)CC[NH+](CCCO)CC3)o1 ZINC000257190998 549714650 /nfs/dbraw/zinc/71/46/50/549714650.db2.gz OQIMGINRCNGJME-GOSISDBHSA-N 2 0 371.485 2.185 50 0 FEAARP COc1cc(C[NH2+]CC(C)(C)OC)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011812715 539535363 /nfs/dbraw/zinc/53/53/63/539535363.db2.gz PACPSAKYVUBCHH-QGZVFWFLSA-N 2 0 368.518 2.290 50 0 FEAARP O=C(NCC1(c2ccccc2F)CCCC1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072126339 541784459 /nfs/dbraw/zinc/78/44/59/541784459.db2.gz YHWRJFYMEFVDCE-GOSISDBHSA-N 2 0 359.489 2.485 50 0 FEAARP COc1cccc([C@@H]2CN(c3cc(C)[nH+]c(N)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072137381 541786085 /nfs/dbraw/zinc/78/60/85/541786085.db2.gz RPGZABWRZDTEMT-DFQSSKMNSA-N 2 0 365.481 2.442 50 0 FEAARP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)c2ccc(F)cc21 ZINC000072431000 541812842 /nfs/dbraw/zinc/81/28/42/541812842.db2.gz FFXRNZZDABEMRA-KBXCAEBGSA-N 2 0 358.461 2.089 50 0 FEAARP c1cn(CC[N@@H+]2CC[C@H](c3ccccc3)C2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072435180 541813532 /nfs/dbraw/zinc/81/35/32/541813532.db2.gz XDZRQTPQKARINO-SFHVURJKSA-N 2 0 362.481 2.339 50 0 FEAARP CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C[NH+](C)C ZINC000014960476 220136796 /nfs/dbraw/zinc/13/67/96/220136796.db2.gz VOLVGVYEFKXNKJ-IBGZPJMESA-N 2 0 361.530 2.360 50 0 FEAARP CC(C)([NH3+])c1cn(CC2CC[NH+](C3CSCCSC3)CC2)nn1 ZINC000019607843 220280822 /nfs/dbraw/zinc/28/08/22/220280822.db2.gz XZAHGMWGRMZJDP-UHFFFAOYSA-N 2 0 355.577 2.033 50 0 FEAARP C[C@H]1C[NH+](CCCC[NH2+]Cc2cn(C)nc2-c2ccncc2)C[C@H](C)O1 ZINC000062252780 221139384 /nfs/dbraw/zinc/13/93/84/221139384.db2.gz LMUDIUAZJNXEKH-IRXDYDNUSA-N 2 0 357.502 2.461 50 0 FEAARP CCc1cc(N2CCC([NH2+]C3CCOCC3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095505674 132212555 /nfs/dbraw/zinc/21/25/55/132212555.db2.gz KPTKIDXTSFSWEO-UHFFFAOYSA-N 2 0 359.518 2.377 50 0 FEAARP C[NH+](C)[C@@H]1CCCN(c2ncnc3c2CC[N@H+](Cc2ccco2)CC3)C1 ZINC000072454148 136148526 /nfs/dbraw/zinc/14/85/26/136148526.db2.gz AUABMFVOOKKUSB-MRXNPFEDSA-N 2 0 355.486 2.201 50 0 FEAARP C[NH+]1CCN(C[C@H](O)COc2ccc(C[N@@H+]3CCCC3(C)C)cc2)CC1 ZINC000095526624 542980844 /nfs/dbraw/zinc/98/08/44/542980844.db2.gz SHKAVZIXSLSBRI-IBGZPJMESA-N 2 0 361.530 2.048 50 0 FEAARP CCC(CC)C[NH+]1CCC(c2nnc(CN3CC[NH+](C)CC3)n2C)CC1 ZINC000096150171 222051266 /nfs/dbraw/zinc/05/12/66/222051266.db2.gz VMQZGSYBYJUFKL-UHFFFAOYSA-N 2 0 362.566 2.178 50 0 FEAARP O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000020109881 526712386 /nfs/dbraw/zinc/71/23/86/526712386.db2.gz AYZBIUUOOLMBIM-INIZCTEOSA-N 2 0 363.527 2.357 50 0 FEAARP Cn1nc([C@H]2CCC[N@H+](C[C@H]3CC[C@@H]([NH3+])CC3)C2)n(-c2ccccc2)c1=O ZINC000244678742 527558319 /nfs/dbraw/zinc/55/83/19/527558319.db2.gz IJBMCZWOQINHIX-OKZBNKHCSA-N 2 0 369.513 2.268 50 0 FEAARP CO[C@@H]1CC[N@@H+](C2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)C1 ZINC000095531686 536678498 /nfs/dbraw/zinc/67/84/98/536678498.db2.gz BWEOOQNIOHFHJP-GOSISDBHSA-N 2 0 359.518 2.465 50 0 FEAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237431980 548826072 /nfs/dbraw/zinc/82/60/72/548826072.db2.gz ODSKVVCBQSVGLX-QWFCFKBJSA-N 2 0 358.530 2.094 50 0 FEAARP C[NH+]1CCN(C(C)(C)CNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000952968857 681793197 /nfs/dbraw/zinc/79/31/97/681793197.db2.gz OJIUGVDSYZOUKF-UHFFFAOYSA-N 2 0 352.567 2.076 50 0 FEAARP COc1cc(C[NH2+]CC(C)(C)OC)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011812714 539534846 /nfs/dbraw/zinc/53/48/46/539534846.db2.gz PACPSAKYVUBCHH-KRWDZBQOSA-N 2 0 368.518 2.290 50 0 FEAARP CCC[NH+]1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000012591347 539566935 /nfs/dbraw/zinc/56/69/35/539566935.db2.gz JOAZFEBTFDOCKB-LJQANCHMSA-N 2 0 373.545 2.218 50 0 FEAARP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](Cn2cc(C[NH3+])nn2)C1 ZINC000023506049 539715448 /nfs/dbraw/zinc/71/54/48/539715448.db2.gz LMGGDFZVPCFTEC-QGZVFWFLSA-N 2 0 365.485 2.143 50 0 FEAARP Cc1ccc(NC(=O)COc2cccc(C[NH2+]CCC[NH2+]CCO)c2)cc1 ZINC000040720814 540010977 /nfs/dbraw/zinc/01/09/77/540010977.db2.gz JXAXXDBGLBJVCQ-UHFFFAOYSA-N 2 0 371.481 2.074 50 0 FEAARP CN(Cc1cc2n(n1)CCC[NH2+]C2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072168626 541795031 /nfs/dbraw/zinc/79/50/31/541795031.db2.gz KYTMRMXKWBUWQX-LJQANCHMSA-N 2 0 353.514 2.330 50 0 FEAARP Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC000072410374 541807220 /nfs/dbraw/zinc/80/72/20/541807220.db2.gz MISKXIFFCODPTK-GOSISDBHSA-N 2 0 374.577 2.322 50 0 FEAARP Cc1cc(N2CCC([NH2+]CC3(C)COC3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000095528061 132214819 /nfs/dbraw/zinc/21/48/19/132214819.db2.gz BXVGPQHXOZICNL-UHFFFAOYSA-N 2 0 359.518 2.370 50 0 FEAARP CC1(C)CC([NH2+]Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)CC(C)(C)[NH2+]1 ZINC000095379404 542964427 /nfs/dbraw/zinc/96/44/27/542964427.db2.gz YOQQHVOMIQHLDH-UHFFFAOYSA-N 2 0 356.470 2.026 50 0 FEAARP C[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCCn3cnnn3)CC2)C1 ZINC000096130682 222037269 /nfs/dbraw/zinc/03/72/69/222037269.db2.gz CZVMQVUHBFROFK-LJQANCHMSA-N 2 0 354.502 2.265 50 0 FEAARP COc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000097102807 222160351 /nfs/dbraw/zinc/16/03/51/222160351.db2.gz LGNGBKBOJAFUNM-UHFFFAOYSA-N 2 0 363.502 2.113 50 0 FEAARP C[NH2+]Cc1cn(C2CC[NH+](C3CCN(c4ccccc4F)CC3)CC2)nn1 ZINC000019791278 522144174 /nfs/dbraw/zinc/14/41/74/522144174.db2.gz NBDRVMMCOGHXMX-UHFFFAOYSA-N 2 0 372.492 2.443 50 0 FEAARP CN1C[C@@H](C[N@H+](C)Cc2ccccc2OCC[NH+]2CCCCC2)CC1=O ZINC000215760276 548672978 /nfs/dbraw/zinc/67/29/78/548672978.db2.gz UBBWMYGNWBAEBK-GOSISDBHSA-N 2 0 359.514 2.461 50 0 FEAARP C[NH+](C)[C@H]1CCCN(Cc2ccccc2OCCCN2CC[NH+](C)CC2)C1 ZINC000216073789 548676187 /nfs/dbraw/zinc/67/61/87/548676187.db2.gz VQZQSVSPYYEGEM-NRFANRHFSA-N 2 0 374.573 2.229 50 0 FEAARP Cn1cc([C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000222530519 548709202 /nfs/dbraw/zinc/70/92/02/548709202.db2.gz FOFBPZUPFAFCPN-YYWHXJBOSA-N 2 0 354.498 2.486 50 0 FEAARP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000229407780 548755247 /nfs/dbraw/zinc/75/52/47/548755247.db2.gz CFVLQHHLWALZAP-KURKYZTESA-N 2 0 351.535 2.257 50 0 FEAARP O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584894054 571315042 /nfs/dbraw/zinc/31/50/42/571315042.db2.gz SOGVYLAKOGMGSX-QGZVFWFLSA-N 2 0 357.502 2.178 50 0 FEAARP Cc1nn(C(C)C)c(C)c1CN(C)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072411251 541807612 /nfs/dbraw/zinc/80/76/12/541807612.db2.gz YDFDVDAXAPYDOK-SFHVURJKSA-N 2 0 361.534 2.113 50 0 FEAARP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+](C[C@H]3CCOC3)CC2)OC1=O ZINC000072469460 541818727 /nfs/dbraw/zinc/81/87/27/541818727.db2.gz MQDXXZVWESSHCL-GOSISDBHSA-N 2 0 367.534 2.288 50 0 FEAARP C[N@H+](CCCN1CC2(CC[NH+](CCCO)CC2)OC1=O)C1CCCCC1 ZINC000077488208 542388260 /nfs/dbraw/zinc/38/82/60/542388260.db2.gz OGYZPNVIHDWXHH-UHFFFAOYSA-N 2 0 367.534 2.310 50 0 FEAARP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCC=C(C)C)CC2)C1 ZINC000071714750 221355740 /nfs/dbraw/zinc/35/57/40/221355740.db2.gz LDKHMQNPRUJHST-SFHVURJKSA-N 2 0 351.535 2.282 50 0 FEAARP CCc1ccccc1NC(=O)CC[NH+]1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000244690841 132290360 /nfs/dbraw/zinc/29/03/60/132290360.db2.gz IXYCLTMYSXGPQC-UHFFFAOYSA-N 2 0 368.485 2.080 50 0 FEAARP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3cccc(Cl)c3)C[C@@H]2CO)CC1 ZINC000092046863 542841159 /nfs/dbraw/zinc/84/11/59/542841159.db2.gz QSCFHGXHMLCNFL-QZTJIDSGSA-N 2 0 351.922 2.018 50 0 FEAARP COc1ccccc1OC[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000095365898 537097464 /nfs/dbraw/zinc/09/74/64/537097464.db2.gz HRMXEMPKIJCGMN-OAHLLOKOSA-N 2 0 371.485 2.402 50 0 FEAARP CCn1c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+][C@@H](C)C3)C2)nc2ccccc21 ZINC000253603283 549698583 /nfs/dbraw/zinc/69/85/83/549698583.db2.gz JPOIRTQITQUKTJ-IRXDYDNUSA-N 2 0 369.513 2.089 50 0 FEAARP C[C@H]([NH3+])c1nnc(SCCN2CCOCC2)n1-c1cccc(Cl)c1 ZINC000426723806 559740966 /nfs/dbraw/zinc/74/09/66/559740966.db2.gz AOIYMGCZIIMWMP-LBPRGKRZSA-N 2 0 367.906 2.365 50 0 FEAARP O[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2C12CC[NH2+]CC2 ZINC000072167482 541794053 /nfs/dbraw/zinc/79/40/53/541794053.db2.gz SSBQJIJUVXNHBI-UXHICEINSA-N 2 0 352.434 2.242 50 0 FEAARP Cc1cc(C)cc(OCCN(C)C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c1 ZINC000072408608 541806302 /nfs/dbraw/zinc/80/63/02/541806302.db2.gz GHZAJGDHOUEMDN-IBGZPJMESA-N 2 0 359.514 2.215 50 0 FEAARP COC1(c2ccccc2)CCN(C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)CC1 ZINC000072409406 541806325 /nfs/dbraw/zinc/80/63/25/541806325.db2.gz CNODCRGTIPIVDE-LJQANCHMSA-N 2 0 371.525 2.225 50 0 FEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCCc1ccncc1)CC[NH+](C)CC2 ZINC000072430966 541812621 /nfs/dbraw/zinc/81/26/21/541812621.db2.gz IJHABZXIDCDYJT-LJQANCHMSA-N 2 0 358.530 2.327 50 0 FEAARP O[C@H](COc1ccccc1C[NH+]1CCSCC1)C[NH+]1CCCCC1 ZINC000012704586 220017666 /nfs/dbraw/zinc/01/76/66/220017666.db2.gz IKVKDUUANOOCRA-SFHVURJKSA-N 2 0 350.528 2.461 50 0 FEAARP CC(=O)Nc1ccc(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)cc1 ZINC000065492216 221226292 /nfs/dbraw/zinc/22/62/92/221226292.db2.gz RZAPPBCLEKDDED-KRWDZBQOSA-N 2 0 358.530 2.493 50 0 FEAARP Cc1nnc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)[nH]1 ZINC000095366087 132208449 /nfs/dbraw/zinc/20/84/49/132208449.db2.gz SDTVDLGWQAEWOI-AWEZNQCLSA-N 2 0 370.505 2.131 50 0 FEAARP Cc1cc(C)c2[nH]c(C[N@H+]3CCC[C@@](O)(C[NH+](C)C)CC3)cc(=O)c2c1 ZINC000091872070 542829907 /nfs/dbraw/zinc/82/99/07/542829907.db2.gz PIVAAERTXBHXJW-NRFANRHFSA-N 2 0 357.498 2.424 50 0 FEAARP O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000095356500 542958300 /nfs/dbraw/zinc/95/83/00/542958300.db2.gz YOTLDFHAYFGFFN-IBGZPJMESA-N 2 0 357.498 2.090 50 0 FEAARP C[NH+]1CCN(Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095529282 542982262 /nfs/dbraw/zinc/98/22/62/542982262.db2.gz JEOZJOWSFHCSOU-HXUWFJFHSA-N 2 0 361.530 2.050 50 0 FEAARP CC(C)[NH+]1CCC(N2CC[N@@H+](C3CCSCC3)C[C@@H]2CCO)CC1 ZINC000020455398 263379957 /nfs/dbraw/zinc/37/99/57/263379957.db2.gz LRAIQUWIBQGROO-IBGZPJMESA-N 2 0 355.592 2.123 50 0 FEAARP CC(C)[N@@H+]1CCN(C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1CCO ZINC000020534187 519681260 /nfs/dbraw/zinc/68/12/60/519681260.db2.gz SJJHZUWTSJEPJS-QFIPXVFZSA-N 2 0 359.558 2.471 50 0 FEAARP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238159511 548880298 /nfs/dbraw/zinc/88/02/98/548880298.db2.gz RALBPLUQMHSEPT-CZAAIQMYSA-N 2 0 371.525 2.180 50 0 FEAARP COc1ccc(CN(C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)c2cccnc12 ZINC000244778738 548895315 /nfs/dbraw/zinc/89/53/15/548895315.db2.gz PVRFBLVMQBLZLU-SHTZXODSSA-N 2 0 366.469 2.209 50 0 FEAARP Cc1nnc([C@@H]2CC3(C[N@@H+]2CCCO)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257177708 549712410 /nfs/dbraw/zinc/71/24/10/549712410.db2.gz XVRRFDNEBDTTSR-SFHVURJKSA-N 2 0 371.485 2.185 50 0 FEAARP Cc1c[nH+]ccc1N1CCN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000426518830 559736651 /nfs/dbraw/zinc/73/66/51/559736651.db2.gz ROLIXVSXOFLKDU-GOSISDBHSA-N 2 0 359.518 2.200 50 0 FEAARP [NH2+]=C1c2ccccc2CN1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000102138745 570827586 /nfs/dbraw/zinc/82/75/86/570827586.db2.gz QBYYVBSAJUXSBE-UHFFFAOYSA-N 2 0 363.465 2.071 50 0 FEAARP COCC[NH+]1CCC(C(=O)N2CCC([NH+]3CCCCCC3)CC2)CC1 ZINC000670456482 571354357 /nfs/dbraw/zinc/35/43/57/571354357.db2.gz XYCUDBHFSOWPAI-UHFFFAOYSA-N 2 0 351.535 2.212 50 0 FEAARP