smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)C[C@H](O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12 ZINC000005285384 204200725 /nfs/dbraw/zinc/20/07/25/204200725.db2.gz AGOJLYZDKYYTAY-IBGZPJMESA-N 1 0 362.477 3.868 10 0 FHAERO NC(=O)C1CC[NH+](Cc2cncc(-c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000037553703 205028133 /nfs/dbraw/zinc/02/81/33/205028133.db2.gz PVJKVJCEVHFBES-UHFFFAOYSA-N 1 0 364.276 3.753 10 0 FHAERO CCC[C@](C)([NH3+])C(=O)Nc1ccc(Br)cc1Br ZINC000037621950 205028767 /nfs/dbraw/zinc/02/87/67/205028767.db2.gz PPKIZFCWEQUEBP-LBPRGKRZSA-N 1 0 364.081 3.668 10 0 FHAERO C[C@@H]([NH3+])[C@H](Oc1ccc(I)cc1)c1cccs1 ZINC000043111176 205101103 /nfs/dbraw/zinc/10/11/03/205101103.db2.gz DCGQOFJLBQXFMA-RNCFNFMXSA-N 1 0 359.232 3.820 10 0 FHAERO Cc1c(C[N@H+](Cc2ccccn2)CC(C)C)c(=O)n(-c2ccccc2)n1C ZINC000055107602 205205998 /nfs/dbraw/zinc/20/59/98/205205998.db2.gz DJNBCAUWIRBSLK-UHFFFAOYSA-N 1 0 364.493 3.538 10 0 FHAERO CCOc1ccc(CN(CC[NH+](C)C)Cc2sccc2C)cc1CO ZINC000055074079 205206634 /nfs/dbraw/zinc/20/66/34/205206634.db2.gz YSJWEYAMGWJYOK-UHFFFAOYSA-N 1 0 362.539 3.511 10 0 FHAERO C[NH2+]C[C@@H]1CCN(c2c(Br)cc(C)cc2Br)C1 ZINC000053013258 205190810 /nfs/dbraw/zinc/19/08/10/205190810.db2.gz CJDWQEONRHZBIN-JTQLQIEISA-N 1 0 362.109 3.566 10 0 FHAERO Cn1c2ccc(-c3cc(F)cc4c3O[C@H](C[NH3+])C4)cc2c2c1C(=O)CCC2 ZINC000067851988 205397559 /nfs/dbraw/zinc/39/75/59/205397559.db2.gz TUBFYBILKFGPRQ-HNNXBMFYSA-N 1 0 364.420 3.766 10 0 FHAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000108930926 206040973 /nfs/dbraw/zinc/04/09/73/206040973.db2.gz JNFCBXNJPIKFOZ-PXNSSMCTSA-N 1 0 352.478 3.845 10 0 FHAERO CCOc1cccc([C@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000120279550 206107984 /nfs/dbraw/zinc/10/79/84/206107984.db2.gz OQDPODIRTKZTQX-OXJNMPFZSA-N 1 0 355.482 3.748 10 0 FHAERO CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000226861974 206123641 /nfs/dbraw/zinc/12/36/41/206123641.db2.gz MLEFCYUIOBTEDL-INIZCTEOSA-N 1 0 374.550 3.727 10 0 FHAERO NC(=[NH2+])CCN(Cc1cc(Br)ccc1F)c1ccccc1 ZINC000019808551 206327062 /nfs/dbraw/zinc/32/70/62/206327062.db2.gz VKJOXHVSYSFFKO-UHFFFAOYSA-N 1 0 350.235 3.921 10 0 FHAERO O=c1[nH]c(-c2ccc(C[N@@H+]3CCC[C@H]3c3ccccn3)cc2)nc2c1CCC2 ZINC000019841579 206334199 /nfs/dbraw/zinc/33/41/99/206334199.db2.gz QKDCMUXGMNYRIG-NRFANRHFSA-N 1 0 372.472 3.658 10 0 FHAERO CC(C)(C)N1C[C@H](c2ccccc2C(F)(F)F)[C@]2(CCC[NH2+]C2)C1=O ZINC000216087585 206353237 /nfs/dbraw/zinc/35/32/37/206353237.db2.gz AOJRBUQQNMGHJJ-CRAIPNDOSA-N 1 0 354.416 3.800 10 0 FHAERO [NH3+]CC1CCN(c2cc(-c3ccncc3)nc(-c3ccc(F)cc3)n2)CC1 ZINC000073684647 132376982 /nfs/dbraw/zinc/37/69/82/132376982.db2.gz WHMDCKFJWPQWMO-UHFFFAOYSA-N 1 0 363.440 3.520 10 0 FHAERO CNC(=O)Cn1ccc(-c2cccc(-c3cccc(C[NH+]4CCCC4)c3)c2)n1 ZINC000020778528 524076464 /nfs/dbraw/zinc/07/64/64/524076464.db2.gz QNTXVAPEJDGMLH-UHFFFAOYSA-N 1 0 374.488 3.559 10 0 FHAERO Cc1cccnc1C[NH2+]C[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 ZINC000096296369 560060250 /nfs/dbraw/zinc/06/02/50/560060250.db2.gz WZMQHMANHBJVFT-KRWDZBQOSA-N 1 0 368.868 3.596 10 0 FHAERO CC(C)(C)OC(=O)N1CCC([C@@H](CO)CC[NH2+]C2CCCCC2)CC1 ZINC000725266735 570540216 /nfs/dbraw/zinc/54/02/16/570540216.db2.gz AQBNCNHQULYIMZ-QGZVFWFLSA-N 1 0 354.535 3.554 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccc(Br)cc1 ZINC000675053097 571148635 /nfs/dbraw/zinc/14/86/35/571148635.db2.gz FSIVBONSQAWOGB-UONOGXRCSA-N 1 0 355.276 3.848 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccc(F)cc1Br ZINC000675054790 571176008 /nfs/dbraw/zinc/17/60/08/571176008.db2.gz PHTCCAUOOVJXLI-BXUZGUMPSA-N 1 0 373.266 3.988 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(C(F)(F)F)c2)[C@@H]([NH3+])C1 ZINC000071790622 571166792 /nfs/dbraw/zinc/16/67/92/571166792.db2.gz INWRFRNRBLUBNC-FZMZJTMJSA-N 1 0 362.367 3.896 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2ccc(Br)c(F)c2)C1 ZINC000675055039 571176363 /nfs/dbraw/zinc/17/63/63/571176363.db2.gz PMUNTYLPIICXMO-FZMZJTMJSA-N 1 0 373.266 3.906 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2ccc(Br)c(F)c2)C1 ZINC000675055044 571176517 /nfs/dbraw/zinc/17/65/17/571176517.db2.gz PMUNTYLPIICXMO-RISCZKNCSA-N 1 0 373.266 3.906 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2Br)C1 ZINC000675055150 571176584 /nfs/dbraw/zinc/17/65/84/571176584.db2.gz QKMCOBSEXQCKED-RISCZKNCSA-N 1 0 373.266 3.906 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2ccc(Br)cc2F)C1 ZINC000675055167 571176594 /nfs/dbraw/zinc/17/65/94/571176594.db2.gz QSYUEZBXGLJRNO-BXUZGUMPSA-N 1 0 373.266 3.906 10 0 FHAERO Cc1nc([C@H](C)N(C)C(=O)c2ccc(C)cc2OCCC[NH3+])c(C)s1 ZINC000299769406 571195586 /nfs/dbraw/zinc/19/55/86/571195586.db2.gz NDNQMPBHKADVHM-ZDUSSCGKSA-N 1 0 361.511 3.629 10 0 FHAERO CCCn1cnnc1[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000075552493 571199969 /nfs/dbraw/zinc/19/99/69/571199969.db2.gz YREMPRUOVLOMPT-AWEZNQCLSA-N 1 0 356.499 3.519 10 0 FHAERO COC(=O)c1ccc(-c2nc3c(cc(C)c(N)c3Br)[nH]2)cc1 ZINC000078400740 571215803 /nfs/dbraw/zinc/21/58/03/571215803.db2.gz VOSYBCFJEUMHQC-UHFFFAOYSA-N 1 0 360.211 3.670 10 0 FHAERO COc1ccccc1C[C@H](C)[NH2+][C@H](c1nc(C(C)C)no1)C1CCOCC1 ZINC000328644793 571325933 /nfs/dbraw/zinc/32/59/33/571325933.db2.gz ZIKMXROYNBHQRX-KXBFYZLASA-N 1 0 373.497 3.890 10 0 FHAERO CC(C)C1=C[C@](O)(C(F)(F)F)N(c2nc(-c3ccccn3)cs2)[NH2+]1 ZINC000001415175 204006274 /nfs/dbraw/zinc/00/62/74/204006274.db2.gz RCYOLFYVSZJGNR-AWEZNQCLSA-N 1 0 356.373 3.678 10 0 FHAERO Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCCC3)CC2)cc1Cl ZINC000004489170 204141449 /nfs/dbraw/zinc/14/14/49/204141449.db2.gz UUSOZQWGUUIIHK-UHFFFAOYSA-N 1 0 370.946 3.678 10 0 FHAERO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCC1 ZINC000005034930 204186773 /nfs/dbraw/zinc/18/67/73/204186773.db2.gz HKSDFDBXNOTNJI-UHFFFAOYSA-N 1 0 359.901 3.839 10 0 FHAERO C[NH2+][C@H](c1ccc(I)cc1)c1ccc(OC)c(C)c1 ZINC000035506226 204295018 /nfs/dbraw/zinc/29/50/18/204295018.db2.gz NUVYKUDVVOXFLL-MRXNPFEDSA-N 1 0 367.230 3.917 10 0 FHAERO COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COCC(C)C)c1OC ZINC000036097296 205003672 /nfs/dbraw/zinc/00/36/72/205003672.db2.gz KQCSGAGDTPGJSH-LJQANCHMSA-N 1 0 367.530 3.585 10 0 FHAERO O=S(=O)(c1cn([C@H]2CCC[NH2+]C2)c2ccccc12)c1ccc(F)cc1 ZINC000038930898 205023765 /nfs/dbraw/zinc/02/37/65/205023765.db2.gz BBQSYCXUSVJJFC-HNNXBMFYSA-N 1 0 358.438 3.538 10 0 FHAERO [NH3+]Cc1nc(Oc2cccc(I)c2)ccc1Cl ZINC000051570541 205184480 /nfs/dbraw/zinc/18/44/80/205184480.db2.gz NXXPUAHPGXPZDX-UHFFFAOYSA-N 1 0 360.582 3.591 10 0 FHAERO CC(=O)OCc1c(C)cc(C)c(C[N@H+](C)Cc2[nH]nc3c2CCC3)c1C ZINC000055327867 205215438 /nfs/dbraw/zinc/21/54/38/205215438.db2.gz FRTSPYKIPRJAFU-UHFFFAOYSA-N 1 0 355.482 3.519 10 0 FHAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1Br ZINC000061270411 205286349 /nfs/dbraw/zinc/28/63/49/205286349.db2.gz SHXMYNAEXKNTEM-MRVPVSSYSA-N 1 0 364.081 3.538 10 0 FHAERO CC[N@@H+]1CCC[C@](C(=O)NCc2ccccc2OC)(c2ccccc2)CC1 ZINC000065226033 205325145 /nfs/dbraw/zinc/32/51/45/205325145.db2.gz CNXQXJHLNBKGAD-HSZRJFAPSA-N 1 0 366.505 3.755 10 0 FHAERO Cc1cc(Oc2ccc(I)cc2)ccc1CC[NH3+] ZINC000104301109 205999582 /nfs/dbraw/zinc/99/95/82/205999582.db2.gz PTTQIXWTRQHTKH-UHFFFAOYSA-N 1 0 353.203 3.893 10 0 FHAERO CN(CC[NH2+]CCc1cccs1)Cc1cc(Br)cs1 ZINC000053429539 206292557 /nfs/dbraw/zinc/29/25/57/206292557.db2.gz DYCLNZOVWKMCIU-UHFFFAOYSA-N 1 0 359.358 3.836 10 0 FHAERO COc1ccc(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)c(OC)c1 ZINC000022851978 206335205 /nfs/dbraw/zinc/33/52/05/206335205.db2.gz GPIOCKIRXCCWRF-OAQYLSRUSA-N 1 0 366.505 3.727 10 0 FHAERO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc4ccccc43)cc2N)CC1 ZINC000226263264 132374730 /nfs/dbraw/zinc/37/47/30/132374730.db2.gz QMWKRWGSDAFTKD-UHFFFAOYSA-N 1 0 374.488 3.816 10 0 FHAERO C[NH+](C)CCN1c2cc(Cl)ccc2C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000001849133 132382600 /nfs/dbraw/zinc/38/26/00/132382600.db2.gz BWQDZTIDRDNPPW-KRWDZBQOSA-N 1 0 364.276 3.804 10 0 FHAERO Fc1cccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3cccnc3)n2)c1 ZINC000073684291 526381950 /nfs/dbraw/zinc/38/19/50/526381950.db2.gz GZEXZWQDKHICGK-UHFFFAOYSA-N 1 0 363.440 3.756 10 0 FHAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000275723335 527471738 /nfs/dbraw/zinc/47/17/38/527471738.db2.gz ZELFBQHSBXCCAM-GJZGRUSLSA-N 1 0 357.351 3.588 10 0 FHAERO COc1ccc(-c2nc(-c3ccccc3)cc(N3CCC([NH3+])CC3)n2)cc1 ZINC000073663130 536505268 /nfs/dbraw/zinc/50/52/68/536505268.db2.gz VAJNXGLNURVXJY-UHFFFAOYSA-N 1 0 360.461 3.747 10 0 FHAERO [NH3+]C[C@H]1[C@H](F)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725244887 570442088 /nfs/dbraw/zinc/44/20/88/570442088.db2.gz BDEYDHJIMQNIJJ-UXHICEINSA-N 1 0 354.425 3.697 10 0 FHAERO CN(Cc1ccccc1)C1(C[NH2+]Cc2ccncc2)Cc2ccccc2C1 ZINC000023361250 570538671 /nfs/dbraw/zinc/53/86/71/570538671.db2.gz LBVYFGQSLCZERR-UHFFFAOYSA-N 1 0 357.501 3.841 10 0 FHAERO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000583618782 570808370 /nfs/dbraw/zinc/80/83/70/570808370.db2.gz ITURVJFKKLWDJG-VWPQPMDRSA-N 1 0 359.510 3.760 10 0 FHAERO CCOc1cccc(C[N@@H+]2CC[C@H](c3nc4cccnc4n3CC)C2)c1 ZINC000065285348 570872741 /nfs/dbraw/zinc/87/27/41/570872741.db2.gz IASXNBQFLUZTHU-KRWDZBQOSA-N 1 0 350.466 3.839 10 0 FHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000190435484 571043296 /nfs/dbraw/zinc/04/32/96/571043296.db2.gz XOFPCNNIDWZDMU-NRDMVMEKSA-N 1 0 374.573 3.756 10 0 FHAERO Cn1cc(C[NH2+]Cc2ccc(-n3cccn3)cc2)c(-c2ccccc2F)n1 ZINC000013637101 571109198 /nfs/dbraw/zinc/10/91/98/571109198.db2.gz OBOYTDLPARAFAZ-UHFFFAOYSA-N 1 0 361.424 3.702 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1cc(F)ccc1Br ZINC000675052534 571120943 /nfs/dbraw/zinc/12/09/43/571120943.db2.gz AURWSNRIYXNDQC-FZMZJTMJSA-N 1 0 373.266 3.988 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1cccc(Br)c1 ZINC000675052412 571121151 /nfs/dbraw/zinc/12/11/51/571121151.db2.gz ADRGJCWYVCDEGT-KGLIPLIRSA-N 1 0 355.276 3.848 10 0 FHAERO Cc1c([C@@H](C)[NH2+]C2CSCCSC2)cnn1-c1ccc(F)cc1F ZINC000012452892 571129538 /nfs/dbraw/zinc/12/95/38/571129538.db2.gz JNWQVSQDAKSHLW-LLVKDONJSA-N 1 0 369.506 3.958 10 0 FHAERO COc1c(O)cccc1[C@@H](O)C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012480529 571172885 /nfs/dbraw/zinc/17/28/85/571172885.db2.gz DVDGOKMQDYFKFY-FQEVSTJZSA-N 1 0 359.441 3.528 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccc(F)cc1Br ZINC000675054949 571176423 /nfs/dbraw/zinc/17/64/23/571176423.db2.gz PHTCCAUOOVJXLI-SMDDNHRTSA-N 1 0 373.266 3.988 10 0 FHAERO Cc1ccc(F)c(NC(=O)c2cccnc2SCC[NH+]2CCCC2)c1 ZINC000033308529 571232253 /nfs/dbraw/zinc/23/22/53/571232253.db2.gz FUZGKYZGDFINDL-UHFFFAOYSA-N 1 0 359.470 3.969 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1cc(F)cc(Br)c1 ZINC000675055772 571271263 /nfs/dbraw/zinc/27/12/63/571271263.db2.gz XUKHKWNAGVMJOK-ZIAGYGMSSA-N 1 0 373.266 3.988 10 0 FHAERO Oc1ccc(CC[NH2+]C[C@@H](c2ccc(O)cc2)C2(O)CCCCC2)cc1 ZINC000077291470 571320916 /nfs/dbraw/zinc/32/09/16/571320916.db2.gz UMYJDHWHTKQULQ-NRFANRHFSA-N 1 0 355.478 3.709 10 0 in-vitro FHAERO C[N@@H+](Cc1cc(C(N)=O)cs1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328624799 571324752 /nfs/dbraw/zinc/32/47/52/571324752.db2.gz COYBYJZQLJEQJX-SNVBAGLBSA-N 1 0 372.416 3.541 10 0 FHAERO C[N@@H+](Cc1nc2ccccc2o1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328646570 571325945 /nfs/dbraw/zinc/32/59/45/571325945.db2.gz SSBROZYPWCEPAV-LBPRGKRZSA-N 1 0 364.371 3.738 10 0 FHAERO C[C@@H]([NH3+])CCCC(C)(C)OP(=O)([O-])OC(C)(C)CCC[C@@H](C)[NH3+] ZINC000005751266 204223073 /nfs/dbraw/zinc/22/30/73/204223073.db2.gz TXYNAKWXMMCIKR-ZIAGYGMSSA-N 1 0 352.456 3.712 10 0 FHAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@H]21 ZINC000006091310 204236857 /nfs/dbraw/zinc/23/68/57/204236857.db2.gz LDYMIBZOCSHLBG-ZTFGCOKTSA-N 1 0 360.885 3.583 10 0 FHAERO CN1CCC[C@@]2(CC[N@H+](Cc3cccc(OCc4ccccc4)c3)C2)C1=O ZINC000012570400 204476260 /nfs/dbraw/zinc/47/62/60/204476260.db2.gz UJAYJSMDTLQAOZ-QHCPKHFHSA-N 1 0 364.489 3.710 10 0 FHAERO C[C@@H]1Cc2cc([C@@H]([NH3+])c3ccccc3I)ccc2O1 ZINC000037176396 204534083 /nfs/dbraw/zinc/53/40/83/204534083.db2.gz LKVOHMCZGISBMI-QLJPJBMISA-N 1 0 365.214 3.663 10 0 FHAERO Fc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3ccncc3)n2)cc1 ZINC000073684981 205033325 /nfs/dbraw/zinc/03/33/25/205033325.db2.gz XHHBTRMUDWWQIE-HNNXBMFYSA-N 1 0 363.440 3.756 10 0 FHAERO CC[C@H](C)N(CC)[C@@H](C[NH3+])c1cc(Br)c(Br)o1 ZINC000050361790 205177691 /nfs/dbraw/zinc/17/76/91/205177691.db2.gz IMETUWYRWGEUFB-WPRPVWTQSA-N 1 0 368.113 3.925 10 0 FHAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Br)c(Br)o1 ZINC000063192018 205292164 /nfs/dbraw/zinc/29/21/64/205292164.db2.gz NBFFWRHUVHYRNG-KCJUWKMLSA-N 1 0 366.097 3.506 10 0 FHAERO O=C(/C=C/c1ccco1)Nc1cccnc1SCC[NH+]1CCCCC1 ZINC000064754565 205302762 /nfs/dbraw/zinc/30/27/62/205302762.db2.gz AOKWVNPZBZMXJJ-CMDGGOBGSA-N 1 0 357.479 3.905 10 0 FHAERO COc1ccc2c(c1)OCC(=[NH2+])N[C@@H]2c1c[nH]nc1-c1cc(C)ccc1C ZINC000067713017 205386177 /nfs/dbraw/zinc/38/61/77/205386177.db2.gz NGSHQAQJSDMSPR-FQEVSTJZSA-N 1 0 362.433 3.541 10 0 FHAERO Cc1cc(=O)c2cccc(-c3cc(NC4CC[NH2+]CC4)nc4[nH]ccc43)c2[nH]1 ZINC000077297893 205585659 /nfs/dbraw/zinc/58/56/59/205585659.db2.gz TUSGSYDMANLGSX-UHFFFAOYSA-N 1 0 373.460 3.544 10 0 FHAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1I)c1ccccc1F ZINC000043048598 206014892 /nfs/dbraw/zinc/01/48/92/206014892.db2.gz ZCTZDBQJXVWFGJ-MEBBXXQBSA-N 1 0 371.193 3.898 10 0 FHAERO C[C@H]([NH3+])[C@H](Oc1ccccc1I)c1cccc(F)c1 ZINC000042974167 206015104 /nfs/dbraw/zinc/01/51/04/206015104.db2.gz LNDKDBGWXGMXJO-BONVTDFDSA-N 1 0 371.193 3.898 10 0 FHAERO CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000226861969 206123974 /nfs/dbraw/zinc/12/39/74/206123974.db2.gz MLEFCYUIOBTEDL-MRXNPFEDSA-N 1 0 374.550 3.727 10 0 FHAERO CCC[N@H+](C[C@@](C)(O)CNc1cc(OC)cc2cccnc21)C(C)(C)C ZINC000215824605 206352435 /nfs/dbraw/zinc/35/24/35/206352435.db2.gz OCQUSYITTLMUHF-NRFANRHFSA-N 1 0 359.514 3.917 10 0 FHAERO CC(C)(C)N1C[C@@H](c2ccccc2C(F)(F)F)[C@@]2(CCC[NH2+]C2)C1=O ZINC000216087447 206354115 /nfs/dbraw/zinc/35/41/15/206354115.db2.gz AOJRBUQQNMGHJJ-YJBOKZPZSA-N 1 0 354.416 3.800 10 0 FHAERO CC(C)(C)[NH2+]C[C@@H](O)c1sc(Br)cc1Br ZINC000033829501 206517164 /nfs/dbraw/zinc/51/71/64/206517164.db2.gz BWERHIASGOOKRE-SSDOTTSWSA-N 1 0 357.111 3.695 10 0 FHAERO C[C@@H]1C[N@@H+](C(C)(C)C)C[C@@H]1c1ccc2c(n1)OCCN2C(=O)C(C)(C)C ZINC000098089603 132232022 /nfs/dbraw/zinc/23/20/22/132232022.db2.gz RYNGHBAZKJXXEG-CABCVRRESA-N 1 0 359.514 3.687 10 0 FHAERO c1ccc2c(c1)CC[C@H]2CC[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC000003776870 132251593 /nfs/dbraw/zinc/25/15/93/132251593.db2.gz OARKPUCUFAIZCW-IBGZPJMESA-N 1 0 364.489 3.700 10 0 in-vitro FHAERO Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCC(C[NH3+])CC2)c1C ZINC000073684631 132377050 /nfs/dbraw/zinc/37/70/50/132377050.db2.gz IRWPJVXCYBEMLN-UHFFFAOYSA-N 1 0 364.415 3.954 10 0 FHAERO C[C@H](C[NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cccc(Cl)c1 ZINC000188550781 567924020 /nfs/dbraw/zinc/92/40/20/567924020.db2.gz XNQCWQDSIOCGLA-CQSZACIVSA-N 1 0 356.857 3.930 10 0 FHAERO C[C@@H](C[NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cccc(Cl)c1 ZINC000188550762 567924025 /nfs/dbraw/zinc/92/40/25/567924025.db2.gz XNQCWQDSIOCGLA-AWEZNQCLSA-N 1 0 356.857 3.930 10 0 FHAERO CC[C@@H]1CN(CCCOc2cccc(C(F)(F)F)c2)CC[N@@H+]1CCOC ZINC000106113417 568645112 /nfs/dbraw/zinc/64/51/12/568645112.db2.gz GDUODNHDMIZTKE-QGZVFWFLSA-N 1 0 374.447 3.517 10 0 FHAERO [NH3+]C[C@@H]1[C@@H](F)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725244889 570441980 /nfs/dbraw/zinc/44/19/80/570441980.db2.gz BDEYDHJIMQNIJJ-VQTJNVASSA-N 1 0 354.425 3.697 10 0 FHAERO O=C(c1cscn1)N1CCC([C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000011998771 570603593 /nfs/dbraw/zinc/60/35/93/570603593.db2.gz MSWOEKKGZFRIGA-IBGZPJMESA-N 1 0 369.534 3.560 10 0 FHAERO COc1ccc(N(C(C)=O)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000034347889 570668115 /nfs/dbraw/zinc/66/81/15/570668115.db2.gz HDNMNIHGIYASFI-UHFFFAOYSA-N 1 0 368.477 3.721 10 0 FHAERO COc1ccc(C[NH+]2CCC3(C[C@@H]3N(C)Cc3nccs3)CC2)cc1 ZINC000275604333 570721474 /nfs/dbraw/zinc/72/14/74/570721474.db2.gz INBQAAXOVLIHCH-SFHVURJKSA-N 1 0 357.523 3.638 10 0 FHAERO CCn1ccnc1CN(Cc1coc2ccccc12)[C@@H]1CC12CC[NH2+]CC2 ZINC000261935417 571034175 /nfs/dbraw/zinc/03/41/75/571034175.db2.gz JZISMTSOQUOQTK-HXUWFJFHSA-N 1 0 364.493 3.794 10 0 FHAERO CC(C)[C@H]1CN(C(=O)c2ccc3cccc(F)c3n2)CCC[N@@H+]1CC1CC1 ZINC000071613689 571162859 /nfs/dbraw/zinc/16/28/59/571162859.db2.gz CHIGEYBBJPLZGG-HXUWFJFHSA-N 1 0 369.484 3.956 10 0 FHAERO CC(C)[C@@H]1CN(C(=O)c2cc3ccccc3n2C)CCC[N@@H+]1CC1CC1 ZINC000071749814 571164614 /nfs/dbraw/zinc/16/46/14/571164614.db2.gz ZCHUPJFMJJNRCA-NRFANRHFSA-N 1 0 353.510 3.761 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Br)c(F)c1 ZINC000675055830 571271363 /nfs/dbraw/zinc/27/13/63/571271363.db2.gz ZERXLRPCLHQBQB-BXUZGUMPSA-N 1 0 373.266 3.988 10 0 FHAERO Cc1noc(C)c1[C@@H](C)C(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328624203 571324625 /nfs/dbraw/zinc/32/46/25/571324625.db2.gz CGNFERFXEXUWKB-DYVFJYSZSA-N 1 0 373.522 3.627 10 0 FHAERO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328631717 571325274 /nfs/dbraw/zinc/32/52/74/571325274.db2.gz KUDNNPKBUHZFMT-LBPRGKRZSA-N 1 0 369.435 3.617 10 0 FHAERO COc1ccccc1C[C@H](C)[NH2+][C@@H](c1nc(C(C)C)no1)C1CCOCC1 ZINC000328644792 571325892 /nfs/dbraw/zinc/32/58/92/571325892.db2.gz ZIKMXROYNBHQRX-HNAYVOBHSA-N 1 0 373.497 3.890 10 0 FHAERO CN(C)c1ccc(N[C@H]2CCC[N@H+](Cc3cc(C(N)=O)cs3)CC2)cn1 ZINC000328656295 571326280 /nfs/dbraw/zinc/32/62/80/571326280.db2.gz ZFWIHPMSHCBZDX-HNNXBMFYSA-N 1 0 373.526 3.559 10 0 FHAERO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(COc2ccc3ccccc3c2)c1 ZINC000029218398 581092267 /nfs/dbraw/zinc/09/22/67/581092267.db2.gz CRVSPVPRADASJG-UHFFFAOYSA-N 1 0 373.460 3.604 10 0 FHAERO COc1ccccc1/C=C/C[NH2+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328641587 203840770 /nfs/dbraw/zinc/84/07/70/203840770.db2.gz QPUCYPKDNIXHLP-YVZNUBBCSA-N 1 0 365.399 3.776 10 0 FHAERO CCC(=O)N(c1ccccc1)[C@H]1CC[N@H+](C[C@H](O)c2ccccc2)C[C@@H]1C ZINC000005458899 204209249 /nfs/dbraw/zinc/20/92/49/204209249.db2.gz FRPRNNRJTCONEC-NYVOZVTQSA-N 1 0 366.505 3.874 10 0 in-man FHAERO COc1ccc2c(c1)[C@@H](C1CC[NH+](CCO)CC1)Oc1ccccc1S2 ZINC000005514509 204212597 /nfs/dbraw/zinc/21/25/97/204212597.db2.gz ZKLVJNUBXVJHPI-OAQYLSRUSA-N 1 0 371.502 3.984 10 0 FHAERO C[NH2+][C@@H](c1ccc(OC)c(F)c1)c1ccccc1I ZINC000035507698 204297263 /nfs/dbraw/zinc/29/72/63/204297263.db2.gz HLAXAETVKZBSGW-HNNXBMFYSA-N 1 0 371.193 3.748 10 0 FHAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCCc2cn(C)c3ccccc23)C1 ZINC000006782691 204269319 /nfs/dbraw/zinc/26/93/19/204269319.db2.gz MHGDXUUJVSKSCK-RTBURBONSA-N 1 0 369.553 3.985 10 0 FHAERO O=C1N(Cc2ccc(F)cc2)CCC[C@]12CC[N@@H+](C1CCSCC1)C2 ZINC000014981682 204596102 /nfs/dbraw/zinc/59/61/02/204596102.db2.gz AWQONWCNFDTDER-HXUWFJFHSA-N 1 0 362.514 3.536 10 0 FHAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1cccc(Br)c1 ZINC000037984438 204767033 /nfs/dbraw/zinc/76/70/33/204767033.db2.gz QXHKRNQVLWLBCO-KGLIPLIRSA-N 1 0 353.304 3.891 10 0 FHAERO COCCC[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COc1ccccc1 ZINC000036097379 205003337 /nfs/dbraw/zinc/00/33/37/205003337.db2.gz VCFQTQCSVGTPSW-NRFANRHFSA-N 1 0 357.494 3.582 10 0 FHAERO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[NH+]=Cc2cc(N)ccc21 ZINC000073642466 205032323 /nfs/dbraw/zinc/03/23/23/205032323.db2.gz JMQNOKOPAJOOST-UHFFFAOYSA-N 1 0 357.841 3.545 10 0 FHAERO [NH3+]C[C@H](Oc1cccc(I)c1)c1ccccc1F ZINC000043048435 205098939 /nfs/dbraw/zinc/09/89/39/205098939.db2.gz CHFQLYDZLNDZKZ-AWEZNQCLSA-N 1 0 357.166 3.509 10 0 FHAERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)n1cc(Br)cn1 ZINC000043093837 205101684 /nfs/dbraw/zinc/10/16/84/205101684.db2.gz KXYUTGOEOWYPHW-STQMWFEESA-N 1 0 373.092 3.735 10 0 FHAERO C[NH2+]Cc1ccccc1COc1cccc(I)c1 ZINC000052696723 205187720 /nfs/dbraw/zinc/18/77/20/205187720.db2.gz WTRAGCTVGWWVKB-UHFFFAOYSA-N 1 0 353.203 3.590 10 0 FHAERO Cc1cc2c(cc1C[NH2+][C@@H]1CCCc3nc(-c4cccnc4)ncc31)OCO2 ZINC000055071450 205207275 /nfs/dbraw/zinc/20/72/75/205207275.db2.gz RKJILRHIVWQGHK-GOSISDBHSA-N 1 0 374.444 3.743 10 0 FHAERO CCC[N@H+](C/C=C/I)[C@H]1CCc2cccc(O)c2C1 ZINC000053084594 205190871 /nfs/dbraw/zinc/19/08/71/205190871.db2.gz QBXHUZJZYDSLRH-MDDUGHTDSA-N 1 0 371.262 3.910 10 0 in-vitro FHAERO CC(C)COc1ccc(CNC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000059850414 205284043 /nfs/dbraw/zinc/28/40/43/205284043.db2.gz ALPRVNKRAWTREK-UHFFFAOYSA-N 1 0 361.530 3.787 10 0 FHAERO CC[C@H](C[NH3+])Oc1c(Br)cc(Br)c2cccnc21 ZINC000061676221 205286146 /nfs/dbraw/zinc/28/61/46/205286146.db2.gz OERSYCRANVVZAT-MRVPVSSYSA-N 1 0 374.076 3.876 10 0 FHAERO C[NH2+][C@@H](C)c1ccc(-n2cc(Br)cn2)c(Br)c1 ZINC000061698415 205286320 /nfs/dbraw/zinc/28/63/20/205286320.db2.gz DSNORSVSPVFLID-QMMMGPOBSA-N 1 0 359.065 3.678 10 0 FHAERO COc1ccccc1NC(=O)c1cc(C)n(CC[NH+]2CCCCC2)c1C ZINC000064757200 205304951 /nfs/dbraw/zinc/30/49/51/205304951.db2.gz IAAXLMCBWDXQTK-UHFFFAOYSA-N 1 0 355.482 3.852 10 0 FHAERO CC[N@@H+]1CCC[C@@](C(=O)NCc2ccccc2OC)(c2ccccc2)CC1 ZINC000065226035 205325197 /nfs/dbraw/zinc/32/51/97/205325197.db2.gz CNXQXJHLNBKGAD-QHCPKHFHSA-N 1 0 366.505 3.755 10 0 FHAERO CC[N@@H+]1CCC[C@@H](c2c(-c3ccccc3)ncn2Cc2csc(N)n2)C1 ZINC000065500140 205355517 /nfs/dbraw/zinc/35/55/17/205355517.db2.gz CSVZPXFRQSNGLH-MRXNPFEDSA-N 1 0 367.522 3.836 10 0 FHAERO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H]5O[C@@H]5C[C@@]43C)[C@@H]1C[C@H]([NH+]1CCCC1)[C@@H]2O ZINC000118913544 206103091 /nfs/dbraw/zinc/10/30/91/206103091.db2.gz OPYVYACKKDTREB-OSNJIRNTSA-N 1 0 359.554 3.842 10 0 FHAERO CCOCCC[NH2+]C[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000053567760 206300136 /nfs/dbraw/zinc/30/01/36/206300136.db2.gz ZOPSZYJKQKSGSA-LLVKDONJSA-N 1 0 350.684 3.886 10 0 FHAERO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccc(C)cc2Cl)CC1 ZINC000226259372 132374797 /nfs/dbraw/zinc/37/47/97/132374797.db2.gz XPQVWPZMVHQRDT-UHFFFAOYSA-N 1 0 372.900 3.625 10 0 FHAERO CN(Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000275733758 523606231 /nfs/dbraw/zinc/60/62/31/523606231.db2.gz PFFRQIZSYVFTID-KRWDZBQOSA-N 1 0 363.477 3.908 10 0 FHAERO Fc1cccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3ccncc3)n2)c1 ZINC000073684773 526381330 /nfs/dbraw/zinc/38/13/30/526381330.db2.gz QRNNAMUOQAUYJU-HNNXBMFYSA-N 1 0 363.440 3.756 10 0 FHAERO COc1ccccc1C[NH2+]C[C@H]1Cn2cc(-c3ccc(C)cc3)nc2CO1 ZINC000096296303 560060324 /nfs/dbraw/zinc/06/03/24/560060324.db2.gz GULVBKVBEDAFLH-IBGZPJMESA-N 1 0 363.461 3.556 10 0 FHAERO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccco1 ZINC000065482783 568054375 /nfs/dbraw/zinc/05/43/75/568054375.db2.gz NHVGESBBWIHORU-UONOGXRCSA-N 1 0 361.408 3.646 10 0 FHAERO CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014534026 570526808 /nfs/dbraw/zinc/52/68/08/570526808.db2.gz CXTNLSUMCQVMSD-UHFFFAOYSA-N 1 0 351.535 3.586 10 0 FHAERO O=C(NCC1=C[C@H]2CC[C@@H](C1)[NH2+]2)OCC1c2ccccc2-c2ccccc21 ZINC000725262030 570526817 /nfs/dbraw/zinc/52/68/17/570526817.db2.gz RZLJHKIYPFQKRW-SJORKVTESA-N 1 0 360.457 3.976 10 0 FHAERO COc1cc([C@@H]2[NH2+][C@H](C)Cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000020572554 570919834 /nfs/dbraw/zinc/91/98/34/570919834.db2.gz CNUHJGQYBHUQKW-BLVKFPJESA-N 1 0 352.434 3.817 10 0 FHAERO O=C1N(CCC2CCCCC2)CCC[C@@]12CC[N@H+](Cc1ccncc1)C2 ZINC000012437404 571104597 /nfs/dbraw/zinc/10/45/97/571104597.db2.gz SSSJRPKVDFJYTN-QFIPXVFZSA-N 1 0 355.526 3.867 10 0 FHAERO C[NH+](C)CCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000035503211 571177862 /nfs/dbraw/zinc/17/78/62/571177862.db2.gz OORRZDIORFPLPN-UHFFFAOYSA-N 1 0 358.829 3.516 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccc(Br)cc1F ZINC000675055412 571271237 /nfs/dbraw/zinc/27/12/37/571271237.db2.gz RXQAEGDWINIQQF-SMDDNHRTSA-N 1 0 373.266 3.988 10 0 FHAERO Cc1noc(C)c1[C@H](C)C(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328624204 571324599 /nfs/dbraw/zinc/32/45/99/571324599.db2.gz CGNFERFXEXUWKB-GUYCJALGSA-N 1 0 373.522 3.627 10 0 FHAERO C[N@@H+](Cc1cc(C(N)=O)cs1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328624798 571324690 /nfs/dbraw/zinc/32/46/90/571324690.db2.gz COYBYJZQLJEQJX-JTQLQIEISA-N 1 0 372.416 3.541 10 0 FHAERO CCc1ncc(C(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000328648412 571326019 /nfs/dbraw/zinc/32/60/19/571326019.db2.gz UMNYPTWTYIXJNU-HNNXBMFYSA-N 1 0 361.536 3.552 10 0 FHAERO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccn1C)Cc1ccccc1 ZINC000004760563 204161781 /nfs/dbraw/zinc/16/17/81/204161781.db2.gz ZANUMMTUIIFGSV-QFIPXVFZSA-N 1 0 364.489 3.776 10 0 FHAERO CC[NH+](CC)C[C@@H](O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12 ZINC000005285386 204200486 /nfs/dbraw/zinc/20/04/86/204200486.db2.gz AGOJLYZDKYYTAY-LJQANCHMSA-N 1 0 362.477 3.868 10 0 FHAERO COc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+](C)C)cc1 ZINC000010018929 204389045 /nfs/dbraw/zinc/38/90/45/204389045.db2.gz IFMSBWWPIDGFKP-ILYDUKKLSA-N 1 0 356.510 3.631 10 0 FHAERO Clc1ccc(-c2nc(-c3ccncc3)cc(N3CCC[NH2+]CC3)n2)cc1 ZINC000073663474 205033320 /nfs/dbraw/zinc/03/33/20/205033320.db2.gz YGKUJOXGONCMRI-UHFFFAOYSA-N 1 0 365.868 3.659 10 0 FHAERO Fc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccccn3)n2)cc1 ZINC000073684988 205033431 /nfs/dbraw/zinc/03/34/31/205033431.db2.gz HSXFCIMSIDJAIK-OAHLLOKOSA-N 1 0 363.440 3.756 10 0 FHAERO Cc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccccn3)n2)cc1 ZINC000073684751 205033719 /nfs/dbraw/zinc/03/37/19/205033719.db2.gz FMTZPHHPDKPGSF-QGZVFWFLSA-N 1 0 359.477 3.926 10 0 FHAERO Brc1cnn(-c2cc(Br)ccc2C[NH2+]C2CC2)c1 ZINC000038054647 205038814 /nfs/dbraw/zinc/03/88/14/205038814.db2.gz URRUBWCFUYUSPS-UHFFFAOYSA-N 1 0 371.076 3.649 10 0 FHAERO [NH3+]C[C@H](Oc1cccc(I)c1)c1cccc(F)c1 ZINC000042974102 205098866 /nfs/dbraw/zinc/09/88/66/205098866.db2.gz OLGWOQCMXMWYQA-AWEZNQCLSA-N 1 0 357.166 3.509 10 0 FHAERO CSc1ccc(C[N@H+](CCO)Cc2cccn2-c2ccccn2)cc1 ZINC000055309802 205214229 /nfs/dbraw/zinc/21/42/29/205214229.db2.gz SMWVNTBLPNNBFL-UHFFFAOYSA-N 1 0 353.491 3.589 10 0 FHAERO O=C(Cc1cccc(F)c1)Nc1cccnc1SCC[NH+]1CCCCC1 ZINC000064754560 205303357 /nfs/dbraw/zinc/30/33/57/205303357.db2.gz CSPIILQTHVVYNJ-UHFFFAOYSA-N 1 0 373.497 3.980 10 0 FHAERO CC(C)c1nc(C2CC[NH+](Cc3ccco3)CC2)n(-c2ccccn2)n1 ZINC000065490573 205353877 /nfs/dbraw/zinc/35/38/77/205353877.db2.gz PPYNJEWRLZEFAL-UHFFFAOYSA-N 1 0 351.454 3.758 10 0 FHAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(I)cc1)c1ccccc1F ZINC000043048429 206014745 /nfs/dbraw/zinc/01/47/45/206014745.db2.gz CPPZUBFOVRPNBR-MEBBXXQBSA-N 1 0 371.193 3.898 10 0 FHAERO C[C@H]([NH3+])[C@H](Oc1ccccc1I)c1ccccc1F ZINC000043048589 206015215 /nfs/dbraw/zinc/01/52/15/206015215.db2.gz ZCTZDBQJXVWFGJ-BONVTDFDSA-N 1 0 371.193 3.898 10 0 FHAERO [NH3+]C[C@@H](Oc1ccccc1I)c1ccc(F)cc1 ZINC000042942496 220943805 /nfs/dbraw/zinc/94/38/05/220943805.db2.gz DWCPOKPATLKNEC-CQSZACIVSA-N 1 0 357.166 3.509 10 0 FHAERO Cc1ncsc1CC[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095378842 132209573 /nfs/dbraw/zinc/20/95/73/132209573.db2.gz IMHCSBMTWVVVFH-UHFFFAOYSA-N 1 0 370.444 3.666 10 0 FHAERO Fc1cnc(N2CCC3(C[C@H]([NH+]4CCCC4)c4ccccc43)CC2)nc1 ZINC000096079202 132218538 /nfs/dbraw/zinc/21/85/38/132218538.db2.gz PPJFWOCXRAWQBJ-IBGZPJMESA-N 1 0 352.457 3.695 10 0 FHAERO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000226259333 132250342 /nfs/dbraw/zinc/25/03/42/132250342.db2.gz VPYNYKLUJQOQJZ-UHFFFAOYSA-N 1 0 372.900 3.625 10 0 FHAERO c1cc2c(nc(NC3CCCC3)cc2-c2ccc(N3CC[NH2+]CC3)cc2)[nH]1 ZINC000072409132 136145280 /nfs/dbraw/zinc/14/52/80/136145280.db2.gz HZGMYAFBXOYFGD-UHFFFAOYSA-N 1 0 361.493 3.994 10 0 FHAERO C[N@H+](Cc1ccc(-c2nc(C(F)(F)F)cc(=O)[nH]2)cc1)Cc1cccnc1 ZINC000019885475 523197135 /nfs/dbraw/zinc/19/71/35/523197135.db2.gz OTZLWLVRAWFEET-UHFFFAOYSA-N 1 0 374.366 3.895 10 0 FHAERO Cc1csc(C[N@@H+](C)[C@@H]2CCC(=O)N(Cc3ccccc3C)CC2)n1 ZINC000020254562 526341449 /nfs/dbraw/zinc/34/14/49/526341449.db2.gz NUFRZVHOKGNWRF-GOSISDBHSA-N 1 0 357.523 3.773 10 0 FHAERO CCN1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000067220007 568071828 /nfs/dbraw/zinc/07/18/28/568071828.db2.gz RTVGKGRJXWZPKK-FQEVSTJZSA-N 1 0 361.493 3.508 10 0 FHAERO CC[C@@]1([NH+]2CCN(C(C)C)CC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265494 570539234 /nfs/dbraw/zinc/53/92/34/570539234.db2.gz IKVROQZHEMYFOJ-HXUWFJFHSA-N 1 0 353.551 3.582 10 0 FHAERO CC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982811 570865713 /nfs/dbraw/zinc/86/57/13/570865713.db2.gz PUPIPBSVKMXEEU-WOJBJXKFSA-N 1 0 356.441 3.592 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1cc(F)ccc1Br ZINC000675052536 571121077 /nfs/dbraw/zinc/12/10/77/571121077.db2.gz AURWSNRIYXNDQC-SMDDNHRTSA-N 1 0 373.266 3.988 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1cc(F)ccc1Br ZINC000675052535 571121145 /nfs/dbraw/zinc/12/11/45/571121145.db2.gz AURWSNRIYXNDQC-RISCZKNCSA-N 1 0 373.266 3.988 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000675053096 571148645 /nfs/dbraw/zinc/14/86/45/571148645.db2.gz FSIVBONSQAWOGB-KGLIPLIRSA-N 1 0 355.276 3.848 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2cc(F)cc(Br)c2)C1 ZINC000675054333 571158178 /nfs/dbraw/zinc/15/81/78/571158178.db2.gz NGDXQKSNNFWAFH-KBPBESRZSA-N 1 0 373.266 3.906 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2ccc(F)cc2Br)C1 ZINC000675055148 571176574 /nfs/dbraw/zinc/17/65/74/571176574.db2.gz QKMCOBSEXQCKED-FZMZJTMJSA-N 1 0 373.266 3.906 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccc(Br)cc1F ZINC000675055410 571271250 /nfs/dbraw/zinc/27/12/50/571271250.db2.gz RXQAEGDWINIQQF-FZMZJTMJSA-N 1 0 373.266 3.988 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccc(Br)c(F)c1 ZINC000675055831 571271403 /nfs/dbraw/zinc/27/14/03/571271403.db2.gz ZERXLRPCLHQBQB-FZMZJTMJSA-N 1 0 373.266 3.988 10 0 FHAERO C[NH+](C)C[C@@H]1C[C@H](OCc2ccccc2)CC[C@]1(O)c1cccc(O)c1 ZINC000164851075 571309353 /nfs/dbraw/zinc/30/93/53/571309353.db2.gz UFSJBZXEOLDRCN-NNWRFLSQSA-N 1 0 355.478 3.527 10 0 FHAERO Cc1c2ccccc2oc1-c1nnc2sc(CC[NH+]3CCCC3)nn21 ZINC000096194445 571334865 /nfs/dbraw/zinc/33/48/65/571334865.db2.gz WFIRHHOXEZIAKS-UHFFFAOYSA-N 1 0 353.451 3.546 10 0 FHAERO CC[NH+](CC)CCSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000001484394 204009608 /nfs/dbraw/zinc/00/96/08/204009608.db2.gz XOBCSDULXSVUGF-UHFFFAOYSA-N 1 0 353.491 3.820 10 0 FHAERO C[NH2+][C@H](c1cccc(I)c1)c1ccc(OC)c(C)c1 ZINC000035506221 204295290 /nfs/dbraw/zinc/29/52/90/204295290.db2.gz VBYSAVGANQGBSS-MRXNPFEDSA-N 1 0 367.230 3.917 10 0 FHAERO COc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[NH+](C)C)cc1 ZINC000010018936 204388564 /nfs/dbraw/zinc/38/85/64/204388564.db2.gz UHCOFCIBHPAGGA-KRWDZBQOSA-N 1 0 366.383 3.747 10 0 FHAERO CCOc1ccc(CN2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)cc1Cl ZINC000012711808 204486783 /nfs/dbraw/zinc/48/67/83/204486783.db2.gz MABMETUFHHVSIN-RTBURBONSA-N 1 0 366.933 3.550 10 0 FHAERO COc1cc(CC[NH2+]Cc2ccccc2)c(OC)cc1Br ZINC000013737378 204550391 /nfs/dbraw/zinc/55/03/91/204550391.db2.gz XXLRSXIQVKHKPM-UHFFFAOYSA-N 1 0 350.256 3.799 10 0 FHAERO COCCC[N@@H+](Cc1ccc(C)s1)C[C@@H](O)COc1ccccc1C ZINC000036101422 205005616 /nfs/dbraw/zinc/00/56/16/205005616.db2.gz UHJYJAVYGULDSU-GOSISDBHSA-N 1 0 363.523 3.643 10 0 FHAERO Cc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3ccccn3)n2)cc1 ZINC000073684754 205032769 /nfs/dbraw/zinc/03/27/69/205032769.db2.gz FMTZPHHPDKPGSF-KRWDZBQOSA-N 1 0 359.477 3.926 10 0 FHAERO CC[NH2+]Cc1ccc(Br)cc1-n1cc(Br)cn1 ZINC000038054645 205038857 /nfs/dbraw/zinc/03/88/57/205038857.db2.gz WFJPFRLNHHJXID-UHFFFAOYSA-N 1 0 359.065 3.507 10 0 FHAERO O=C(Nc1ccccc1C[NH+]1CCCC1)c1cc2c(c(Cl)c1)OCO2 ZINC000041970983 205092494 /nfs/dbraw/zinc/09/24/94/205092494.db2.gz ISFFZYPUPQEKSG-UHFFFAOYSA-N 1 0 358.825 3.917 10 0 FHAERO Cc1ccccc1[C@@H](C[NH3+])Oc1ccc(I)cc1 ZINC000043040077 205099434 /nfs/dbraw/zinc/09/94/34/205099434.db2.gz CKSWCGMNEGRTQU-OAHLLOKOSA-N 1 0 353.203 3.678 10 0 FHAERO C[C@H]([NH3+])[C@@H](Oc1ccc(I)cc1)c1cccs1 ZINC000043111180 205100937 /nfs/dbraw/zinc/10/09/37/205100937.db2.gz DCGQOFJLBQXFMA-TVQRCGJNSA-N 1 0 359.232 3.820 10 0 FHAERO COc1ccc(NC(=O)c2cccnc2SCC[NH+]2CCCCC2)cc1 ZINC000046159060 205133189 /nfs/dbraw/zinc/13/31/89/205133189.db2.gz OFYPDKSAJUNLPZ-UHFFFAOYSA-N 1 0 371.506 3.921 10 0 FHAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000049198391 205170500 /nfs/dbraw/zinc/17/05/00/205170500.db2.gz JYHSMFNLLXFUAU-IUODEOHRSA-N 1 0 360.283 3.528 10 0 FHAERO CN(c1ccccc1)[C@@H](C[NH3+])c1cc(Br)c(Br)o1 ZINC000050361545 205178414 /nfs/dbraw/zinc/17/84/14/205178414.db2.gz UTLFMKIDYXRPMM-NSHDSACASA-N 1 0 374.076 3.941 10 0 FHAERO CCC[N@H+](C/C=C/I)[C@@H]1CCc2cccc(O)c2C1 ZINC000053084593 205191035 /nfs/dbraw/zinc/19/10/35/205191035.db2.gz QBXHUZJZYDSLRH-CEOUIICOSA-N 1 0 371.262 3.910 10 0 in-vitro FHAERO COc1cccc(CNC(=O)c2cc3c(s2)C[N@@H+](C2CCCC2)C3)c1 ZINC000065238976 205327402 /nfs/dbraw/zinc/32/74/02/205327402.db2.gz ICFPNLCFFGHNKK-UHFFFAOYSA-N 1 0 356.491 3.945 10 0 FHAERO CC(C)C[N@@H+]1CCCC[C@H]1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000065590767 205360450 /nfs/dbraw/zinc/36/04/50/205360450.db2.gz WPAHBXBBQYFHRO-FQEVSTJZSA-N 1 0 366.509 3.689 10 0 FHAERO C[C@H]([NH3+])[C@@H](Oc1cccc(I)c1)c1ccccc1F ZINC000043048444 206014458 /nfs/dbraw/zinc/01/44/58/206014458.db2.gz SYEFHEJKRRFLDE-ZUZCIYMTSA-N 1 0 371.193 3.898 10 0 FHAERO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2N)CC1 ZINC000226265370 132374852 /nfs/dbraw/zinc/37/48/52/132374852.db2.gz ZFEOBPOQRFXXIP-UHFFFAOYSA-N 1 0 366.509 3.570 10 0 FHAERO CC(C)c1cc(N2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073662834 132376810 /nfs/dbraw/zinc/37/68/10/132376810.db2.gz GVKOCSBYTCWCCP-UHFFFAOYSA-N 1 0 350.388 3.695 10 0 FHAERO Cc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)cc1 ZINC000073684748 525819103 /nfs/dbraw/zinc/81/91/03/525819103.db2.gz ZZJFWMMHRFXICF-KRWDZBQOSA-N 1 0 359.477 3.926 10 0 FHAERO CSc1nnc([C@H]2CCC[NH2+]C2)n1-c1ccc(Br)c(C)c1 ZINC000229002022 526229302 /nfs/dbraw/zinc/22/93/02/526229302.db2.gz JTKSXXKUAOJKDU-NSHDSACASA-N 1 0 367.316 3.527 10 0 FHAERO Fc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)cc1 ZINC000073684986 526316889 /nfs/dbraw/zinc/31/68/89/526316889.db2.gz OUFXYTPEHXWUPW-HNNXBMFYSA-N 1 0 363.440 3.756 10 0 FHAERO Fc1ccccc1-c1nc(NC[C@H]2CCC[NH2+]C2)cc(-c2ccncc2)n1 ZINC000073684803 526406979 /nfs/dbraw/zinc/40/69/79/526406979.db2.gz ZDTOUOUJMFKVPT-HNNXBMFYSA-N 1 0 363.440 3.756 10 0 FHAERO CCC[C@H](C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)[NH+](C)C ZINC000161752296 567965876 /nfs/dbraw/zinc/96/58/76/567965876.db2.gz WKPZEGHTZLLXMM-VXGBXAGGSA-N 1 0 363.449 3.598 10 0 FHAERO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)c(C)c1 ZINC000008247588 568283144 /nfs/dbraw/zinc/28/31/44/568283144.db2.gz LNBNAXXIVNPARW-CYBMUJFWSA-N 1 0 361.392 3.581 10 0 FHAERO Cc1oc2ccccc2c1C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cncn1C ZINC000583616569 570809856 /nfs/dbraw/zinc/80/98/56/570809856.db2.gz LLODKUOVUVNAJU-HRAATJIYSA-N 1 0 352.482 3.647 10 0 FHAERO CCCCc1cc(=O)[nH]c(-c2ccc(C[NH+]3CCC(COC)CC3)cc2)n1 ZINC000048063494 570934209 /nfs/dbraw/zinc/93/42/09/570934209.db2.gz JPKAPQJOROGPCX-UHFFFAOYSA-N 1 0 369.509 3.638 10 0 FHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000190435504 571043211 /nfs/dbraw/zinc/04/32/11/571043211.db2.gz XOFPCNNIDWZDMU-VMXMFDLUSA-N 1 0 374.573 3.756 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccccc1Br ZINC000675052571 571121001 /nfs/dbraw/zinc/12/10/01/571121001.db2.gz BPJQNFGIHAFAAR-FZMZJTMJSA-N 1 0 355.276 3.848 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1cccc(Br)c1 ZINC000675052414 571121016 /nfs/dbraw/zinc/12/10/16/571121016.db2.gz ADRGJCWYVCDEGT-ZIAGYGMSSA-N 1 0 355.276 3.848 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1cccc(Br)c1F ZINC000675052520 571121109 /nfs/dbraw/zinc/12/11/09/571121109.db2.gz AUJKAOMXNVDIEV-GWCFXTLKSA-N 1 0 373.266 3.988 10 0 FHAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000022664490 571145296 /nfs/dbraw/zinc/14/52/96/571145296.db2.gz PDQTXDSTFLLWLW-HXUWFJFHSA-N 1 0 374.488 3.958 10 0 FHAERO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1cc2ccccn2c1 ZINC000033138771 571158053 /nfs/dbraw/zinc/15/80/53/571158053.db2.gz SBEPWVSMRGPUQK-UHFFFAOYSA-N 1 0 365.452 3.720 10 0 FHAERO C[NH+](C)C[C@@H]1C[C@@H](OCc2ccccc2)CC[C@]1(O)c1cccc(O)c1 ZINC000164851241 571309358 /nfs/dbraw/zinc/30/93/58/571309358.db2.gz UFSJBZXEOLDRCN-BVSLBCMMSA-N 1 0 355.478 3.527 10 0 FHAERO O=C(c1ccc(F)c(F)c1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328629944 571325175 /nfs/dbraw/zinc/32/51/75/571325175.db2.gz IVHSYBCDZDXLRT-KRWDZBQOSA-N 1 0 362.445 3.811 10 0 FHAERO COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328653875 571326131 /nfs/dbraw/zinc/32/61/31/571326131.db2.gz XBEVDBKWCMZCOV-KGLIPLIRSA-N 1 0 367.415 3.694 10 0 FHAERO [NH3+][C@H](c1ccc(Br)s1)c1cc2c(cc1Cl)OCCO2 ZINC000035382024 204248225 /nfs/dbraw/zinc/24/82/25/204248225.db2.gz LZKHPUHTVDSLJZ-ZDUSSCGKSA-N 1 0 360.660 3.983 10 0 FHAERO C[NH2+][C@H](c1ccc(OC)c(F)c1)c1ccccc1I ZINC000035507701 204297323 /nfs/dbraw/zinc/29/73/23/204297323.db2.gz HLAXAETVKZBSGW-OAHLLOKOSA-N 1 0 371.193 3.748 10 0 FHAERO C[NH2+][C@@H](c1cccc(I)c1)c1ccc(OC)cc1F ZINC000036766825 204390602 /nfs/dbraw/zinc/39/06/02/204390602.db2.gz PHGDEBOZFHPZEO-HNNXBMFYSA-N 1 0 371.193 3.748 10 0 FHAERO Cc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684921 205033001 /nfs/dbraw/zinc/03/30/01/205033001.db2.gz QBYFKDVXECTBQM-CYBMUJFWSA-N 1 0 350.388 3.882 10 0 FHAERO Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000073685264 205033219 /nfs/dbraw/zinc/03/32/19/205033219.db2.gz NXHIBNLOEQFMQW-OAHLLOKOSA-N 1 0 350.388 3.943 10 0 FHAERO COc1ccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000073685156 205033658 /nfs/dbraw/zinc/03/36/58/205033658.db2.gz RDYVFHMDSUGMDR-SFHVURJKSA-N 1 0 360.461 3.983 10 0 FHAERO CC(C)(C)NNc1[nH+]cnc(NC(c2ccccc2)c2ccccc2)c1N ZINC000040783684 205081233 /nfs/dbraw/zinc/08/12/33/205081233.db2.gz VOMWCXTXAGLBEV-UHFFFAOYSA-N 1 0 362.481 3.975 10 0 FHAERO CC(C)C[C@H](C)[N@H+](C)CC(=O)c1ccc(I)cc1 ZINC000042586790 205097230 /nfs/dbraw/zinc/09/72/30/205097230.db2.gz FTGPDYFZDJXMQJ-LBPRGKRZSA-N 1 0 359.251 3.840 10 0 FHAERO Cc1cccc([C@@H](C[NH3+])Oc2ccccc2I)c1 ZINC000042969235 205099879 /nfs/dbraw/zinc/09/98/79/205099879.db2.gz GLCQWNNTPBUZHS-OAHLLOKOSA-N 1 0 353.203 3.678 10 0 FHAERO CC[C@@H](C)N(CC)[C@@H](C[NH3+])c1cc(Br)c(Br)o1 ZINC000050361787 205177850 /nfs/dbraw/zinc/17/78/50/205177850.db2.gz IMETUWYRWGEUFB-SCZZXKLOSA-N 1 0 368.113 3.925 10 0 FHAERO CCC[NH+]1CCC(c2nc3ccc(-c4cccc(OC)c4)cn3n2)CC1 ZINC000063527504 205294279 /nfs/dbraw/zinc/29/42/79/205294279.db2.gz GAHIMUPHXGPTRD-UHFFFAOYSA-N 1 0 350.466 3.994 10 0 FHAERO COc1ccc(CNC(=O)c2cc3c(s2)C[N@@H+](C2CCCC2)C3)cc1 ZINC000065238977 205326562 /nfs/dbraw/zinc/32/65/62/205326562.db2.gz PVQAUQFKFXXGBH-UHFFFAOYSA-N 1 0 356.491 3.945 10 0 FHAERO COCC[NH+]1CCC(c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)CC1 ZINC000065419893 205348560 /nfs/dbraw/zinc/34/85/60/205348560.db2.gz WZVNMBOIOOSIKJ-HXUWFJFHSA-N 1 0 369.509 3.555 10 0 FHAERO C[C@H]([NH3+])[C@H](Oc1cccc(I)c1)c1cccc(F)c1 ZINC000042974103 206015768 /nfs/dbraw/zinc/01/57/68/206015768.db2.gz KTNQNFQEEQUINA-BONVTDFDSA-N 1 0 371.193 3.898 10 0 FHAERO [NH3+][C@@H](c1sccc1Br)c1cc2c(cc1Cl)NC(=O)C2 ZINC000104301207 206237734 /nfs/dbraw/zinc/23/77/34/206237734.db2.gz BOTPHOPEQSVYMR-GFCCVEGCSA-N 1 0 357.660 3.707 10 0 FHAERO CCOc1c(Br)cc(CNCCC[NH+](CC)CC)cc1OC ZINC000013734372 206305785 /nfs/dbraw/zinc/30/57/85/206305785.db2.gz GAOHHKGOHDSLAM-UHFFFAOYSA-N 1 0 373.335 3.678 10 0 FHAERO CC(C)(C)N1C[C@H](c2cccc(C(F)(F)F)c2)[C@]2(CCC[NH2+]C2)C1=O ZINC000216087387 206353679 /nfs/dbraw/zinc/35/36/79/206353679.db2.gz JWYPTMJAYSQBKG-CRAIPNDOSA-N 1 0 354.416 3.800 10 0 FHAERO Cc1cc(N2CCC(C[NH3+])CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684622 132377084 /nfs/dbraw/zinc/37/70/84/132377084.db2.gz ONQHDVUAWASVGE-UHFFFAOYSA-N 1 0 350.388 3.646 10 0 FHAERO Cc1nnc(-c2cccc(N3CCC([NH2+][C@H]4CCSC4)CC3)c2)s1 ZINC000023580982 136153128 /nfs/dbraw/zinc/15/31/28/136153128.db2.gz VPGCLPMOJCXZHO-INIZCTEOSA-N 1 0 360.552 3.577 10 0 FHAERO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252475045 526096219 /nfs/dbraw/zinc/09/62/19/526096219.db2.gz RLPNAROFMSFAIH-SVMVAKDDSA-N 1 0 365.521 3.576 10 0 FHAERO Fc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)cc1 ZINC000073684983 526316548 /nfs/dbraw/zinc/31/65/48/526316548.db2.gz OUFXYTPEHXWUPW-OAHLLOKOSA-N 1 0 363.440 3.756 10 0 FHAERO Fc1ccccc1-c1nc(NCC2CC[NH2+]CC2)cc(-c2ccncc2)n1 ZINC000073684307 526407402 /nfs/dbraw/zinc/40/74/02/526407402.db2.gz IGICWBZVWAZDIM-UHFFFAOYSA-N 1 0 363.440 3.756 10 0 FHAERO C[NH+](C)C[C@@H]1C[C@H](OCc2ccccc2)CC[C@@]1(O)c1cccc(O)c1 ZINC000141638231 567992405 /nfs/dbraw/zinc/99/24/05/567992405.db2.gz UFSJBZXEOLDRCN-KSEOMHKRSA-N 1 0 355.478 3.527 10 0 FHAERO CN(Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC000275806797 570726570 /nfs/dbraw/zinc/72/65/70/570726570.db2.gz TWXWKYAPZVGJND-GOSISDBHSA-N 1 0 367.522 3.506 10 0 FHAERO O=C(CCC(F)(F)F)N1CCC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000014995528 570828455 /nfs/dbraw/zinc/82/84/55/570828455.db2.gz CVHLNIIFPMNEES-MSOLQXFVSA-N 1 0 368.443 3.885 10 0 FHAERO Cc1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)oc1C ZINC000019789654 570902902 /nfs/dbraw/zinc/90/29/02/570902902.db2.gz MVYVXNKFPRKWSO-OAQYLSRUSA-N 1 0 353.510 3.683 10 0 FHAERO CCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000046032320 570920455 /nfs/dbraw/zinc/92/04/55/570920455.db2.gz ITPOXIJCMHIPSU-UHFFFAOYSA-N 1 0 370.522 3.995 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccccc1Br ZINC000675052572 571121032 /nfs/dbraw/zinc/12/10/32/571121032.db2.gz BPJQNFGIHAFAAR-RISCZKNCSA-N 1 0 355.276 3.848 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1cc(F)ccc1Br ZINC000675052530 571121038 /nfs/dbraw/zinc/12/10/38/571121038.db2.gz AURWSNRIYXNDQC-BXUZGUMPSA-N 1 0 373.266 3.988 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC000675052785 571148260 /nfs/dbraw/zinc/14/82/60/571148260.db2.gz FDDMSQBNUPRRQJ-UONOGXRCSA-N 1 0 355.276 3.767 10 0 FHAERO CCCn1cnnc1C1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000075552369 571199976 /nfs/dbraw/zinc/19/99/76/571199976.db2.gz LYNBYQQGJLECBB-UHFFFAOYSA-N 1 0 356.499 3.519 10 0 FHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000190424537 571203978 /nfs/dbraw/zinc/20/39/78/571203978.db2.gz WNHXJTDIPRVCHU-HKUYNNGSSA-N 1 0 355.438 3.668 10 0 FHAERO Cc1noc([C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C2CCOCC2)n1 ZINC000328627976 571325033 /nfs/dbraw/zinc/32/50/33/571325033.db2.gz NGGWZNSPHDLHPQ-HSALFYBXSA-N 1 0 355.482 3.847 10 0 FHAERO c1cc(CN(Cc2cnc3ccccn23)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000328629901 571325105 /nfs/dbraw/zinc/32/51/05/571325105.db2.gz ISZIRTZRLFFGAU-GOSISDBHSA-N 1 0 352.507 3.540 10 0 FHAERO FC(F)(F)c1cn2c(n1)CC[C@H](C[NH2+]Cc1cccc3cnccc31)C2 ZINC000328639882 571325696 /nfs/dbraw/zinc/32/56/96/571325696.db2.gz PTNOHMXUTUEDIA-CYBMUJFWSA-N 1 0 360.383 3.802 10 0 FHAERO COc1ccccc1C[C@@H](C)[NH2+][C@H](c1nc(C(C)C)no1)C1CCOCC1 ZINC000328644779 571325890 /nfs/dbraw/zinc/32/58/90/571325890.db2.gz ZIKMXROYNBHQRX-BEFAXECRSA-N 1 0 373.497 3.890 10 0 FHAERO c1csc(CN(Cc2cnc(C3CC3)s2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000328650161 571325993 /nfs/dbraw/zinc/32/59/93/571325993.db2.gz VIMQEUOLFOTBGX-OAHLLOKOSA-N 1 0 360.552 3.621 10 0 FHAERO O=C(NCCC[NH+]1CCCC1)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000004971901 204182590 /nfs/dbraw/zinc/18/25/90/204182590.db2.gz ZXGMETUZBGLLDW-UHFFFAOYSA-N 1 0 357.841 3.850 10 0 FHAERO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccc(C)s1)Cc1ccccc1 ZINC000036031475 205001795 /nfs/dbraw/zinc/00/17/95/205001795.db2.gz OHOYHFJNUJVCEX-SFHVURJKSA-N 1 0 361.507 3.763 10 0 FHAERO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)C(C)C)cc1OC ZINC000036096000 205003365 /nfs/dbraw/zinc/00/33/65/205003365.db2.gz DNAVKZPFXBGEDE-LJQANCHMSA-N 1 0 361.457 3.862 10 0 FHAERO CC[NH+]1CCC([C@H](C)Nc2cccc(I)c2)CC1 ZINC000037221964 205024669 /nfs/dbraw/zinc/02/46/69/205024669.db2.gz JIHJYODMEOLWLD-LBPRGKRZSA-N 1 0 358.267 3.824 10 0 FHAERO CCOC(=O)CC[C@H]([NH3+])c1cc(Br)ccc1Br ZINC000037636011 205029884 /nfs/dbraw/zinc/02/98/84/205029884.db2.gz NYPZJSATDIZMQU-NSHDSACASA-N 1 0 365.065 3.555 10 0 FHAERO COc1ccc(Cc2nc3ccccc3n2CCC[NH+](C)C)cc1OC ZINC000040389636 205068176 /nfs/dbraw/zinc/06/81/76/205068176.db2.gz OBMXUMBWIGWHPY-UHFFFAOYSA-N 1 0 353.466 3.596 10 0 FHAERO [NH3+]C[C@@H](Oc1ccc(I)cc1)c1ccccc1F ZINC000043048416 205099198 /nfs/dbraw/zinc/09/91/98/205099198.db2.gz CMMXLNXOUIQQHB-CQSZACIVSA-N 1 0 357.166 3.509 10 0 FHAERO C[C@H]([NH3+])[C@H](Oc1ccc(I)cc1)c1cccs1 ZINC000043111173 205101479 /nfs/dbraw/zinc/10/14/79/205101479.db2.gz DCGQOFJLBQXFMA-ZANVPECISA-N 1 0 359.232 3.820 10 0 FHAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000048961800 205167796 /nfs/dbraw/zinc/16/77/96/205167796.db2.gz LSXSAYKAYSTLLV-HNNXBMFYSA-N 1 0 374.460 3.543 10 0 FHAERO CN([C@@H](C[NH3+])c1cc(Br)c(Br)o1)C1CCCC1 ZINC000050361746 205177647 /nfs/dbraw/zinc/17/76/47/205177647.db2.gz UKCDNRYVXKHODT-JTQLQIEISA-N 1 0 366.097 3.679 10 0 FHAERO CC(C)CCN(C)[C@@H](C[NH3+])c1cc(Br)c(Br)o1 ZINC000050362119 205178500 /nfs/dbraw/zinc/17/85/00/205178500.db2.gz ASEIVMFETAVRGH-JTQLQIEISA-N 1 0 368.113 3.782 10 0 FHAERO COc1c(C)cc([C@@H](C(=O)[O-])[N@H+](C)Cc2ccccc2C[NH+](C)C)cc1C ZINC000055155105 205207772 /nfs/dbraw/zinc/20/77/72/205207772.db2.gz MTXVCQNATYJIDK-FQEVSTJZSA-N 1 0 370.493 3.631 10 0 FHAERO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3ccc4nonc4c3)c2C)cc1 ZINC000055254653 205213090 /nfs/dbraw/zinc/21/30/90/205213090.db2.gz GHUBDJHBDPJXES-ZDUSSCGKSA-N 1 0 363.421 3.576 10 0 FHAERO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](C4CCCCC4)C3)C2=O)c1 ZINC000015073663 220146441 /nfs/dbraw/zinc/14/64/41/220146441.db2.gz BSBKEJLKHBDAQT-QFIPXVFZSA-N 1 0 374.500 3.982 10 0 FHAERO Cn1c2ccc(-c3cc(F)cc4c3O[C@@H](C[NH3+])C4)cc2c2c1C(=O)CCC2 ZINC000067851990 205398252 /nfs/dbraw/zinc/39/82/52/205398252.db2.gz TUBFYBILKFGPRQ-OAHLLOKOSA-N 1 0 364.420 3.766 10 0 FHAERO [NH3+]CC[C@H](NC(=O)c1cccc(-c2cn[nH]c2)c1)c1ccc(Cl)cc1 ZINC000043151466 205584392 /nfs/dbraw/zinc/58/43/92/205584392.db2.gz GQVLBXIPRNEDMU-SFHVURJKSA-N 1 0 354.841 3.550 10 0 FHAERO CC(C)C[NH2+]C[C@H](Oc1cccc(I)c1)C(C)C ZINC000104008738 205995938 /nfs/dbraw/zinc/99/59/38/205995938.db2.gz XEVWPXHHIZTWAA-HNNXBMFYSA-N 1 0 361.267 3.940 10 0 FHAERO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cccc2)cc1 ZINC000106109633 206013322 /nfs/dbraw/zinc/01/33/22/206013322.db2.gz MSGZKSQKXZDRTD-OAQYLSRUSA-N 1 0 359.473 3.872 10 0 FHAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(I)c1)c1cccc(F)c1 ZINC000042974106 206014647 /nfs/dbraw/zinc/01/46/47/206014647.db2.gz KTNQNFQEEQUINA-MEBBXXQBSA-N 1 0 371.193 3.898 10 0 FHAERO CCOc1cccc([C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000120279388 206107442 /nfs/dbraw/zinc/10/74/42/206107442.db2.gz OQDPODIRTKZTQX-OXQOHEQNSA-N 1 0 355.482 3.748 10 0 FHAERO CCc1c(C)nc(-c2ccc(C(F)(F)F)cc2)nc1N1CCC([NH3+])CC1 ZINC000073663227 132376694 /nfs/dbraw/zinc/37/66/94/132376694.db2.gz HXOAVBIIIRLLSC-UHFFFAOYSA-N 1 0 364.415 3.961 10 0 FHAERO Fc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccncc3)n2)cc1 ZINC000073684409 526316509 /nfs/dbraw/zinc/31/65/09/526316509.db2.gz YDGUNNWUEXUIPF-UHFFFAOYSA-N 1 0 363.440 3.756 10 0 FHAERO Fc1cccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccncc3)n2)c1 ZINC000073684289 526381581 /nfs/dbraw/zinc/38/15/81/526381581.db2.gz AJZUCXNPAAFTFA-UHFFFAOYSA-N 1 0 363.440 3.756 10 0 FHAERO c1cc(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)n(-c2cccnc2)c1 ZINC000020914120 526429821 /nfs/dbraw/zinc/42/98/21/526429821.db2.gz YRFYAOSSUUNNJW-NRFANRHFSA-N 1 0 372.516 3.594 10 0 FHAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000275465674 527472023 /nfs/dbraw/zinc/47/20/23/527472023.db2.gz HLRDEVSWVXZWDO-PMACEKPBSA-N 1 0 355.482 3.751 10 0 FHAERO OC1(c2nccn2CCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000082104430 527515183 /nfs/dbraw/zinc/51/51/83/527515183.db2.gz KJUIDUMTOWERER-UHFFFAOYSA-N 1 0 361.489 3.609 10 0 FHAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1ccc(I)cc1 ZINC000054601911 535453390 /nfs/dbraw/zinc/45/33/90/535453390.db2.gz RTMQOUKBPPURFL-VHRNVKJDSA-N 1 0 370.278 3.791 10 0 FHAERO CCc1cc(N2CCC([NH3+])CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073663209 536144174 /nfs/dbraw/zinc/14/41/74/536144174.db2.gz XEOIHGHBRHQBPU-UHFFFAOYSA-N 1 0 350.388 3.652 10 0 FHAERO C[NH2+][C@@H]1CCN(c2cc(Br)ccc2Br)[C@H](C)C1 ZINC000049713357 536377855 /nfs/dbraw/zinc/37/78/55/536377855.db2.gz QTVLTZWWGGVDFL-MWLCHTKSSA-N 1 0 362.109 3.788 10 0 FHAERO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]CC2CCCCC2)C3)cc1 ZINC000096296287 560060370 /nfs/dbraw/zinc/06/03/70/560060370.db2.gz GLJGCKVTEFLISW-IBGZPJMESA-N 1 0 355.482 3.627 10 0 FHAERO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000063482394 567979748 /nfs/dbraw/zinc/97/97/48/567979748.db2.gz DOKZSBBVCDLJTP-STQMWFEESA-N 1 0 371.321 3.719 10 0 FHAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@H](CO)CC[NH2+]C1CCCCC1 ZINC000725266720 570540098 /nfs/dbraw/zinc/54/00/98/570540098.db2.gz ACKSHTAXUCPVGC-AOIWGVFYSA-N 1 0 368.562 3.800 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2cccc(Br)c2F)C1 ZINC000675055487 571271277 /nfs/dbraw/zinc/27/12/77/571271277.db2.gz UBKQYCFWJRZLKN-GXFFZTMASA-N 1 0 373.266 3.906 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1cc(F)cc(Br)c1 ZINC000675055769 571271288 /nfs/dbraw/zinc/27/12/88/571271288.db2.gz XUKHKWNAGVMJOK-KBPBESRZSA-N 1 0 373.266 3.988 10 0 FHAERO CC(C)[NH2+]Cc1c(F)c(Br)ccc1I ZINC000675063565 571271789 /nfs/dbraw/zinc/27/17/89/571271789.db2.gz IEDKYYDVGARHBH-UHFFFAOYSA-N 1 0 372.019 3.691 10 0 FHAERO c1cc(CN(Cc2cnc3ccccn23)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000328629902 571325243 /nfs/dbraw/zinc/32/52/43/571325243.db2.gz ISZIRTZRLFFGAU-SFHVURJKSA-N 1 0 352.507 3.540 10 0 FHAERO CC(=O)N(Cc1cncnc1)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000328632953 571325444 /nfs/dbraw/zinc/32/54/44/571325444.db2.gz LPYOXDVNHYBMEE-AVRDEDQJSA-N 1 0 366.509 3.749 10 0 FHAERO C[N@@H+](Cc1nc2ccccc2o1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328646567 571326010 /nfs/dbraw/zinc/32/60/10/571326010.db2.gz SSBROZYPWCEPAV-GFCCVEGCSA-N 1 0 364.371 3.738 10 0 FHAERO CC(C)(C)[NH2+]C[C@@H](O)c1cc(Br)c(Br)s1 ZINC000033829497 209860341 /nfs/dbraw/zinc/86/03/41/209860341.db2.gz GZUSIFUBQTZVSL-SSDOTTSWSA-N 1 0 357.111 3.695 10 0 FHAERO C[C@H]([NH3+])[C@H](Oc1ccccc1I)c1ccc(F)cc1 ZINC000042942498 209269937 /nfs/dbraw/zinc/26/99/37/209269937.db2.gz FCAVMYACJLWAMT-BONVTDFDSA-N 1 0 371.193 3.898 10 0 FHAERO C[C@@H]1CCC[N@H+](CC(=O)c2ccc(I)cc2)CC1 ZINC000104348913 209261730 /nfs/dbraw/zinc/26/17/30/209261730.db2.gz JKQKRCCGMGOAMB-GFCCVEGCSA-N 1 0 357.235 3.596 10 0 FHAERO Fc1cccc(C[N@@H+]2CCC[C@@]3(C[C@@H](CNc4ccccn4)CO3)C2)c1 ZINC000096228506 209140184 /nfs/dbraw/zinc/14/01/84/209140184.db2.gz IXXHVEIZXKUQTE-GHTZIAJQSA-N 1 0 355.457 3.704 10 0 FHAERO CC[NH+](CC)CCNC(=S)N(Cc1ccccc1)Cc1ccccc1 ZINC000005866724 207120281 /nfs/dbraw/zinc/12/02/81/207120281.db2.gz YESXRVUAHFINOA-UHFFFAOYSA-N 1 0 355.551 3.905 10 0 FHAERO CCOc1ccc([C@@H]([NH2+]C)c2ccccc2I)cc1 ZINC000035466457 207177248 /nfs/dbraw/zinc/17/72/48/207177248.db2.gz PRQOWABSIWPRLJ-MRXNPFEDSA-N 1 0 367.230 3.999 10 0 FHAERO COc1ccc(C)cc1NC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000006877216 207173503 /nfs/dbraw/zinc/17/35/03/207173503.db2.gz DXDKHVQZRVNHGF-UHFFFAOYSA-N 1 0 359.514 3.979 10 0 FHAERO C[NH2+][C@@H](c1cccc(I)c1)c1ccc(OC)c(C)c1 ZINC000035506224 207193702 /nfs/dbraw/zinc/19/37/02/207193702.db2.gz VBYSAVGANQGBSS-INIZCTEOSA-N 1 0 367.230 3.917 10 0 FHAERO c1ccc(C(c2n[nH]c3c2C[N@H+](C[C@H]2CCOC2)CC3)c2ccccc2)cc1 ZINC000011754003 207320988 /nfs/dbraw/zinc/32/09/88/207320988.db2.gz HYXUUGGPTPQHJP-GOSISDBHSA-N 1 0 373.500 3.985 10 0 FHAERO c1ccc2nc(N3CC[C@@H](C4CC[NH+](Cc5cccnc5)CC4)C3)cnc2c1 ZINC000015067441 207543139 /nfs/dbraw/zinc/54/31/39/207543139.db2.gz LGRHZIIYCOPOTP-HXUWFJFHSA-N 1 0 373.504 3.763 10 0 FHAERO Clc1ccc(CN2CCC[C@H]([NH2+]C3CSCCSC3)C2)cc1 ZINC000023373664 207844552 /nfs/dbraw/zinc/84/45/52/207844552.db2.gz GOTKVEIMGPQGPX-INIZCTEOSA-N 1 0 356.988 3.743 10 0 FHAERO C[NH2+]Cc1ccc(Oc2cccc(I)c2)c(F)c1 ZINC000034665037 208105187 /nfs/dbraw/zinc/10/51/87/208105187.db2.gz XJXNNFGKRSOBRL-UHFFFAOYSA-N 1 0 357.166 3.942 10 0 FHAERO COc1ccccc1CCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000034682400 208106100 /nfs/dbraw/zinc/10/61/00/208106100.db2.gz DGWJDOAMZCCTIK-UHFFFAOYSA-N 1 0 366.505 3.900 10 0 FHAERO COc1cc(C[N@H+](CCC(C)C)C[C@@H](O)COCC(C)C)cc(OC)c1 ZINC000036095143 208144079 /nfs/dbraw/zinc/14/40/79/208144079.db2.gz ATJMNUNVHHSASX-LJQANCHMSA-N 1 0 367.530 3.585 10 0 FHAERO COC(=O)C1(Nc2ccc(C)cc2)CC[NH+](CCc2ccccc2)CC1 ZINC000039204052 208208164 /nfs/dbraw/zinc/20/81/64/208208164.db2.gz QUXAMUASVHKYOB-UHFFFAOYSA-N 1 0 352.478 3.657 10 0 FHAERO CCOC(=O)CC[C@@H]([NH3+])c1cc(Br)ccc1Br ZINC000037636012 208184981 /nfs/dbraw/zinc/18/49/81/208184981.db2.gz NYPZJSATDIZMQU-LLVKDONJSA-N 1 0 365.065 3.555 10 0 FHAERO CCc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCC[NH2+]CC2)c1C ZINC000073663456 208188025 /nfs/dbraw/zinc/18/80/25/208188025.db2.gz KRIOLIKKMXUOEY-UHFFFAOYSA-N 1 0 364.415 3.833 10 0 FHAERO COc1ccc(-c2nc(NC3CC[NH2+]CC3)cc(-c3ccccc3)n2)cc1 ZINC000073662915 208188094 /nfs/dbraw/zinc/18/80/94/208188094.db2.gz KYXHGGXLZYTUDA-UHFFFAOYSA-N 1 0 360.461 3.983 10 0 FHAERO COc1ccc(-c2nc(N[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000073685154 208190909 /nfs/dbraw/zinc/19/09/09/208190909.db2.gz RDYVFHMDSUGMDR-GOSISDBHSA-N 1 0 360.461 3.983 10 0 FHAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1ccccc1Br ZINC000040687593 208263305 /nfs/dbraw/zinc/26/33/05/208263305.db2.gz JYHRHEKLGLTDIH-UHFFFAOYSA-N 1 0 357.215 3.704 10 0 FHAERO [NH3+]C[C@H](Oc1ccc(I)cc1)c1cccc(F)c1 ZINC000042974096 208297325 /nfs/dbraw/zinc/29/73/25/208297325.db2.gz PYTZKXACVLHSDX-AWEZNQCLSA-N 1 0 357.166 3.509 10 0 FHAERO C[C@H]([NH3+])[C@H](Oc1ccccc1I)c1ccccc1 ZINC000042904164 208298025 /nfs/dbraw/zinc/29/80/25/208298025.db2.gz KECAYLKGKOBTLU-NHYWBVRUSA-N 1 0 353.203 3.759 10 0 FHAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)n1cc(Br)cn1 ZINC000042956097 208298106 /nfs/dbraw/zinc/29/81/06/208298106.db2.gz QANXZNSHKJNTKZ-OLZOCXBDSA-N 1 0 373.092 3.735 10 0 FHAERO Cc1cccc([C@H](C[NH3+])Oc2ccccc2I)c1 ZINC000042969237 208298323 /nfs/dbraw/zinc/29/83/23/208298323.db2.gz GLCQWNNTPBUZHS-HNNXBMFYSA-N 1 0 353.203 3.678 10 0 FHAERO Cc1ccccc1[C@H](C[NH3+])Oc1ccc(I)cc1 ZINC000043040080 208300518 /nfs/dbraw/zinc/30/05/18/208300518.db2.gz CKSWCGMNEGRTQU-HNNXBMFYSA-N 1 0 353.203 3.678 10 0 FHAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1I)c1cccs1 ZINC000043111560 208303659 /nfs/dbraw/zinc/30/36/59/208303659.db2.gz YAWIRMAOGUQZNY-RNCFNFMXSA-N 1 0 359.232 3.820 10 0 FHAERO [NH3+]C1CCN(c2cc(-c3ccccn3)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000073663257 132376807 /nfs/dbraw/zinc/37/68/07/132376807.db2.gz DTBNOEFRWOVWMH-UHFFFAOYSA-N 1 0 365.868 3.787 10 0 FHAERO Fc1cc(Br)ccc1CSc1nnc([C@@H]2CCC[NH2+]2)o1 ZINC000040173877 526294730 /nfs/dbraw/zinc/29/47/30/526294730.db2.gz BWSDVAQWKTYBRS-NSHDSACASA-N 1 0 358.236 3.688 10 0 FHAERO Fc1ccc(C[NH2+]C[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1F ZINC000096269380 560053983 /nfs/dbraw/zinc/05/39/83/560053983.db2.gz JXOABHDCYOQXSU-INIZCTEOSA-N 1 0 355.388 3.517 10 0 FHAERO O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccccc2)C1 ZINC000005396234 560201608 /nfs/dbraw/zinc/20/16/08/560201608.db2.gz SFPHAIIYABUKIC-AZUAARDMSA-N 1 0 357.457 3.530 10 0 biogenic FHAERO Cc1cccc2cc(C[NH2+][C@H]3CCS(=O)(=O)C3)c(-c3cccs3)nc12 ZINC000012049248 570714983 /nfs/dbraw/zinc/71/49/83/570714983.db2.gz HHLQUHQGMZEANI-INIZCTEOSA-N 1 0 372.515 3.548 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1cccc(Br)c1 ZINC000675052413 571120953 /nfs/dbraw/zinc/12/09/53/571120953.db2.gz ADRGJCWYVCDEGT-UONOGXRCSA-N 1 0 355.276 3.848 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2Br)C1 ZINC000675055153 571176561 /nfs/dbraw/zinc/17/65/61/571176561.db2.gz QKMCOBSEXQCKED-SMDDNHRTSA-N 1 0 373.266 3.906 10 0 FHAERO CC[N@@H+]1CCC[C@@](C(=O)NCc2ccc(OC)cc2)(c2ccccc2)CC1 ZINC000065226055 571257045 /nfs/dbraw/zinc/25/70/45/571257045.db2.gz QXXDKIGWQUMRPH-QHCPKHFHSA-N 1 0 366.505 3.755 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccc(Cl)cc21 ZINC000675069311 571272108 /nfs/dbraw/zinc/27/21/08/571272108.db2.gz GVWOBBBYELXFLH-AWEZNQCLSA-N 1 0 352.862 3.811 10 0 FHAERO Cc1noc([C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C2CCOCC2)n1 ZINC000328627978 571324985 /nfs/dbraw/zinc/32/49/85/571324985.db2.gz NGGWZNSPHDLHPQ-VAMGGRTRSA-N 1 0 355.482 3.847 10 0 FHAERO COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328653874 571326135 /nfs/dbraw/zinc/32/61/35/571326135.db2.gz XBEVDBKWCMZCOV-KBPBESRZSA-N 1 0 367.415 3.694 10 0 FHAERO COc1cc(NC(=O)c2ccc(C[NH+]3CCCC3)o2)c(OC)cc1Cl ZINC000027984332 209789726 /nfs/dbraw/zinc/78/97/26/209789726.db2.gz CDVUSPVPIIHAIV-UHFFFAOYSA-N 1 0 364.829 3.798 10 0 FHAERO C[C@@H]([NH3+])[C@H](Oc1ccc(I)cc1)c1cccc(F)c1 ZINC000042974098 209273624 /nfs/dbraw/zinc/27/36/24/209273624.db2.gz JGQAACBPUAIGLF-BMIGLBTASA-N 1 0 371.193 3.898 10 0 FHAERO O=C1CCC2(CCC([NH2+]Cc3ccsc3)CC2)N1Cc1ccncc1 ZINC000096093519 209111688 /nfs/dbraw/zinc/11/16/88/209111688.db2.gz GDZOYJWYDRWQOB-UHFFFAOYSA-N 1 0 355.507 3.737 10 0 FHAERO COc1ccc2cc(C[NH2+]CCn3ccnc3)c(-c3ccsc3)nc2c1 ZINC000012124438 207340478 /nfs/dbraw/zinc/34/04/78/207340478.db2.gz HFXAMIFPUGXWMN-UHFFFAOYSA-N 1 0 364.474 3.958 10 0 FHAERO O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]2N1Cc1ccc(F)cc1 ZINC000012333128 207364188 /nfs/dbraw/zinc/36/41/88/207364188.db2.gz RSVXSQCTFTWIEH-NQIIRXRSSA-N 1 0 370.443 3.978 10 0 FHAERO COc1cccc(N2C[C@@H]3C[C@@H](c4ccc(C)o4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012433091 207376415 /nfs/dbraw/zinc/37/64/15/207376415.db2.gz ZFZRECZEZXCEGO-XERREHJYSA-N 1 0 352.434 3.539 10 0 FHAERO CC[N@@H+]1CCC[C@H]([C@@H](C)Nc2ccc(I)cc2)C1 ZINC000037221955 208178874 /nfs/dbraw/zinc/17/88/74/208178874.db2.gz UOVFJAKAAOMEJI-OLZOCXBDSA-N 1 0 358.267 3.824 10 0 FHAERO Cc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccccn3)n2)cc1 ZINC000073684278 208190292 /nfs/dbraw/zinc/19/02/92/208190292.db2.gz SYNGWIBTALKBMD-UHFFFAOYSA-N 1 0 359.477 3.926 10 0 FHAERO CC(C)(C[NH2+]Cc1ccc(I)o1)c1ccccc1 ZINC000037934942 208194862 /nfs/dbraw/zinc/19/48/62/208194862.db2.gz PFAACTIMODSZRT-UHFFFAOYSA-N 1 0 355.219 3.952 10 0 FHAERO COc1ccc(CCn2c3cc(Cl)ccc3nc2CCC[NH3+])cc1OC ZINC000040407171 208252224 /nfs/dbraw/zinc/25/22/24/208252224.db2.gz LGCYWUKRMLFNHF-UHFFFAOYSA-N 1 0 373.884 3.841 10 0 FHAERO CC(C)c1nc2cc(C(F)(F)F)ccc2n1CCC[NH+]1CCOCC1 ZINC000040405791 208252809 /nfs/dbraw/zinc/25/28/09/208252809.db2.gz GLZLMVWIGPCITO-UHFFFAOYSA-N 1 0 355.404 3.901 10 0 FHAERO CC(C)C[C@@H](C)[N@H+](C)CC(=O)c1ccc(I)cc1 ZINC000042586787 208293158 /nfs/dbraw/zinc/29/31/58/208293158.db2.gz FTGPDYFZDJXMQJ-GFCCVEGCSA-N 1 0 359.251 3.840 10 0 FHAERO [NH3+]C[C@H](Oc1ccccc1I)c1ccccc1F ZINC000043048586 208299510 /nfs/dbraw/zinc/29/95/10/208299510.db2.gz ANQGHSPCNQIDBX-AWEZNQCLSA-N 1 0 357.166 3.509 10 0 FHAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1I)c1cccs1 ZINC000043111567 208303692 /nfs/dbraw/zinc/30/36/92/208303692.db2.gz YAWIRMAOGUQZNY-NOZJJQNGSA-N 1 0 359.232 3.820 10 0 FHAERO Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2CC[NH+](C)C)c1 ZINC000067258691 208701322 /nfs/dbraw/zinc/70/13/22/208701322.db2.gz CCUPDIXGGJJEFC-UHFFFAOYSA-N 1 0 367.518 3.867 10 0 FHAERO FC(F)(F)c1nc2cccnc2n1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095076893 209018979 /nfs/dbraw/zinc/01/89/79/209018979.db2.gz WNLDDMCSAOKMOD-HNNXBMFYSA-N 1 0 360.383 3.972 10 0 FHAERO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCCC[C@@H]1c1ccccn1 ZINC000095355622 209024187 /nfs/dbraw/zinc/02/41/87/209024187.db2.gz HMNQMHHRZHANAQ-HXUWFJFHSA-N 1 0 353.466 3.640 10 0 FHAERO Clc1ccc2[nH+]c(N3CCCCC3)cc(NCCN3CCOCC3)c2c1 ZINC000253495191 132293666 /nfs/dbraw/zinc/29/36/66/132293666.db2.gz GWMUNCCNAYOJNS-UHFFFAOYSA-N 1 0 374.916 3.623 10 0 FHAERO [NH3+]CC1CCN(c2cc(-c3cccnc3)nc(-c3ccc(F)cc3)n2)CC1 ZINC000073684649 132376967 /nfs/dbraw/zinc/37/69/67/132376967.db2.gz ITYSNCMXSKFKMG-UHFFFAOYSA-N 1 0 363.440 3.520 10 0 FHAERO [NH3+]CC1CCN(c2cc(-c3ccncc3)nc(-c3cccc(F)c3)n2)CC1 ZINC000073684527 132377083 /nfs/dbraw/zinc/37/70/83/132377083.db2.gz PDZJSNHQSASBQP-UHFFFAOYSA-N 1 0 363.440 3.520 10 0 FHAERO CC[NH+]1CCN(c2nc3ccccc3c(NCc3ccc(C)cc3)n2)CC1 ZINC000072260667 136143913 /nfs/dbraw/zinc/14/39/13/136143913.db2.gz IZAWWXDDXGSDOD-UHFFFAOYSA-N 1 0 361.493 3.692 10 0 FHAERO COc1cccc(C[NH+]2CCC3(C[C@H]3N(C)Cc3nccs3)CC2)c1 ZINC000275696645 525936182 /nfs/dbraw/zinc/93/61/82/525936182.db2.gz MWWGAPFKXNDHTD-GOSISDBHSA-N 1 0 357.523 3.638 10 0 FHAERO Cc1cc(Br)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000186774844 567982301 /nfs/dbraw/zinc/98/23/01/567982301.db2.gz BWOXDXGZTWXDCI-LLVKDONJSA-N 1 0 372.694 3.723 10 0 FHAERO CCC(C)(C)[NH2+]Cc1cccc(-n2cc(I)cn2)c1 ZINC000725273655 570543466 /nfs/dbraw/zinc/54/34/66/570543466.db2.gz SOZYERYIXRZEEE-UHFFFAOYSA-N 1 0 369.250 3.755 10 0 FHAERO Cn1cc(Cl)cc1C(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262187366 570567437 /nfs/dbraw/zinc/56/74/37/570567437.db2.gz XTRIVVDBAXEJRP-INIZCTEOSA-N 1 0 363.914 3.525 10 0 FHAERO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(Oc2ccccc2)o1 ZINC000583615070 570807974 /nfs/dbraw/zinc/80/79/74/570807974.db2.gz WPSJJOYJDQVMOP-SBHAEUEKSA-N 1 0 357.450 3.824 10 0 FHAERO Fc1ccc(-c2cnnc(NC[C@H]3CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000012708832 571051131 /nfs/dbraw/zinc/05/11/31/571051131.db2.gz WEWQEENVBDVLJV-QGZVFWFLSA-N 1 0 363.440 3.612 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(C(F)(F)F)c2)[C@H]([NH3+])C1 ZINC000071790620 571166825 /nfs/dbraw/zinc/16/68/25/571166825.db2.gz INWRFRNRBLUBNC-SMDDNHRTSA-N 1 0 362.367 3.896 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2ccc(Br)c(F)c2)C1 ZINC000675055033 571176384 /nfs/dbraw/zinc/17/63/84/571176384.db2.gz PMUNTYLPIICXMO-BXUZGUMPSA-N 1 0 373.266 3.906 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2ccc(Br)cc2F)C1 ZINC000675055171 571176522 /nfs/dbraw/zinc/17/65/22/571176522.db2.gz QSYUEZBXGLJRNO-SMDDNHRTSA-N 1 0 373.266 3.906 10 0 FHAERO Cc1nc([C@@H](C)N(C)C(=O)c2ccc(C)cc2OCCC[NH3+])c(C)s1 ZINC000299769403 571195437 /nfs/dbraw/zinc/19/54/37/571195437.db2.gz NDNQMPBHKADVHM-CYBMUJFWSA-N 1 0 361.511 3.629 10 0 FHAERO Fc1cccc(C[N@@H+]2CCC[C@]3(C[C@@H](CNc4ccccn4)CO3)C2)c1 ZINC000096228508 209140322 /nfs/dbraw/zinc/14/03/22/209140322.db2.gz IXXHVEIZXKUQTE-RXVVDRJESA-N 1 0 355.457 3.704 10 0 FHAERO O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000000596666 206815283 /nfs/dbraw/zinc/81/52/83/206815283.db2.gz RFTWMVGLYKJUCZ-QGZVFWFLSA-N 1 0 354.416 3.725 10 0 FHAERO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)CSCc1ccc(Cl)cc1Cl)C2 ZINC000004321734 207013987 /nfs/dbraw/zinc/01/39/87/207013987.db2.gz KWPWPDLRHPHSLD-GOOCMWNKSA-N 1 0 373.349 3.968 10 0 FHAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(Cl)cc2c1O[C@H]1CCCC[C@H]21 ZINC000006091309 207128798 /nfs/dbraw/zinc/12/87/98/207128798.db2.gz LDYMIBZOCSHLBG-OLMNPRSZSA-N 1 0 360.885 3.583 10 0 FHAERO COc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[NH+](C)C)cc1 ZINC000010018937 207291907 /nfs/dbraw/zinc/29/19/07/207291907.db2.gz UHCOFCIBHPAGGA-QGZVFWFLSA-N 1 0 366.383 3.747 10 0 FHAERO C[NH2+][C@H](c1cccc(I)c1)c1ccc(OC)cc1F ZINC000036766827 207293895 /nfs/dbraw/zinc/29/38/95/207293895.db2.gz PHGDEBOZFHPZEO-OAHLLOKOSA-N 1 0 371.193 3.748 10 0 FHAERO COC[C@@H]1CCC[N@H+](Cc2nc3ccccc3c(N3CCCCCC3)n2)C1 ZINC000011996140 207332297 /nfs/dbraw/zinc/33/22/97/207332297.db2.gz AFYJMZZLVIDDSG-GOSISDBHSA-N 1 0 368.525 3.869 10 0 FHAERO COc1cc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)cc2c1OCO2 ZINC000011874057 207327936 /nfs/dbraw/zinc/32/79/36/207327936.db2.gz MREAHDLQFRJXCD-QFIPXVFZSA-N 1 0 372.509 3.512 10 0 FHAERO Cc1ccsc1C(=O)N1CCOc2ccc(C[NH+]3CCCC3)cc2C1 ZINC000012245169 207352034 /nfs/dbraw/zinc/35/20/34/207352034.db2.gz OVOQMGZIGCJZTQ-UHFFFAOYSA-N 1 0 356.491 3.687 10 0 FHAERO C[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1I ZINC000035465690 208125913 /nfs/dbraw/zinc/12/59/13/208125913.db2.gz XTPYENQMNSGFIC-HNNXBMFYSA-N 1 0 353.203 3.609 10 0 FHAERO C[NH2+][C@H](c1ccc(I)cc1)c1ccc(F)c(F)c1 ZINC000035494352 208126464 /nfs/dbraw/zinc/12/64/64/208126464.db2.gz HMLKGJQAURDMDG-CQSZACIVSA-N 1 0 359.157 3.878 10 0 FHAERO C[NH2+]Cc1ccc(Oc2ccc(I)cc2)c(F)c1 ZINC000034665016 208105760 /nfs/dbraw/zinc/10/57/60/208105760.db2.gz LIALJDYYKXGSFZ-UHFFFAOYSA-N 1 0 357.166 3.942 10 0 FHAERO COCCc1ccc([C@@H]([NH3+])c2cccc(I)c2)cc1 ZINC000034957819 208116224 /nfs/dbraw/zinc/11/62/24/208116224.db2.gz FXGXULHDPBEFAI-MRXNPFEDSA-N 1 0 367.230 3.528 10 0 FHAERO Cc1ccccc1[C@H](C[NH3+])Oc1cccc(I)c1 ZINC000043040096 208299414 /nfs/dbraw/zinc/29/94/14/208299414.db2.gz RZUULOSPOIZTHX-HNNXBMFYSA-N 1 0 353.203 3.678 10 0 FHAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1I)c1cccs1 ZINC000043111563 208303759 /nfs/dbraw/zinc/30/37/59/208303759.db2.gz YAWIRMAOGUQZNY-TVQRCGJNSA-N 1 0 359.232 3.820 10 0 FHAERO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000071973889 208791023 /nfs/dbraw/zinc/79/10/23/208791023.db2.gz MCIDCGUCZHPMJI-STQMWFEESA-N 1 0 359.297 3.609 10 0 FHAERO COc1ccc(Cn2c3ccccc3nc2N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000095076323 209018088 /nfs/dbraw/zinc/01/80/88/209018088.db2.gz XOGBRRKMKXKPNW-ZWKOTPCHSA-N 1 0 350.466 3.775 10 0 FHAERO C[NH2+][C@H](C)c1ccc(-n2cc(Br)cn2)c(Br)c1 ZINC000061698416 221134700 /nfs/dbraw/zinc/13/47/00/221134700.db2.gz DSNORSVSPVFLID-MRVPVSSYSA-N 1 0 359.065 3.678 10 0 FHAERO Fc1cnc(N2CCC3(C[C@@H]([NH+]4CCCC4)c4ccccc43)CC2)nc1 ZINC000096079201 132218695 /nfs/dbraw/zinc/21/86/95/132218695.db2.gz PPJFWOCXRAWQBJ-LJQANCHMSA-N 1 0 352.457 3.695 10 0 FHAERO Cc1ccc(-c2nc(-c3ccccn3)cc(N3CCC(C[NH3+])CC3)n2)cc1 ZINC000073684519 132377055 /nfs/dbraw/zinc/37/70/55/132377055.db2.gz BLFYUUMMBFBTPQ-UHFFFAOYSA-N 1 0 359.477 3.689 10 0 FHAERO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@](CO)(CCc3ccccc3)C2)cc1 ZINC000019800524 519716113 /nfs/dbraw/zinc/71/61/13/519716113.db2.gz BCCBUFLSYSHVFE-QHCPKHFHSA-N 1 0 366.505 3.852 10 0 FHAERO CN(Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1c(F)cccc1F)CC2 ZINC000275489768 523602819 /nfs/dbraw/zinc/60/28/19/523602819.db2.gz BMKQAKAFWPLNNV-QGZVFWFLSA-N 1 0 363.477 3.908 10 0 FHAERO [NH3+]CC1CCN(c2cc(-c3cccnc3)nc(-c3cccc(F)c3)n2)CC1 ZINC000073684531 527168068 /nfs/dbraw/zinc/16/80/68/527168068.db2.gz OGMLACUEHAMBCB-UHFFFAOYSA-N 1 0 363.440 3.520 10 0 FHAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000275360677 527470839 /nfs/dbraw/zinc/47/08/39/527470839.db2.gz BAHSKYYHTVMQCM-WMZOPIPTSA-N 1 0 356.857 3.632 10 0 FHAERO C[C@H](C(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000003995696 560193139 /nfs/dbraw/zinc/19/31/39/560193139.db2.gz GHDWIFTUSXQYGK-AEZOWIDVSA-N 1 0 352.272 3.721 10 0 in-vitro FHAERO C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[NH+](C)C ZINC000004098880 560196254 /nfs/dbraw/zinc/19/62/54/560196254.db2.gz QTNGLMWAVBOBLJ-RCFZRFIHSA-N 1 0 363.586 3.927 10 0 in-vitro FHAERO Cc1cc(Br)c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000186774867 567982329 /nfs/dbraw/zinc/98/23/29/567982329.db2.gz BWOXDXGZTWXDCI-NSHDSACASA-N 1 0 372.694 3.723 10 0 FHAERO O=C(NC[C@@H]1[NH2+]CCC[C@@H]1F)OCC1c2ccccc2-c2ccccc21 ZINC000725245910 570448014 /nfs/dbraw/zinc/44/80/14/570448014.db2.gz MVFPPHWUSOLCOQ-PMACEKPBSA-N 1 0 354.425 3.615 10 0 FHAERO CCC(C)(C)[NH2+]CC[C@H](CO)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000725267550 570541119 /nfs/dbraw/zinc/54/11/19/570541119.db2.gz PPCUTKGDHWCENP-BBWFWOEESA-N 1 0 356.551 3.656 10 0 FHAERO CN(Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC000275806804 570726640 /nfs/dbraw/zinc/72/66/40/570726640.db2.gz TWXWKYAPZVGJND-SFHVURJKSA-N 1 0 367.522 3.506 10 0 FHAERO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)o1 ZINC000012612181 570753504 /nfs/dbraw/zinc/75/35/04/570753504.db2.gz IAQYTLOJYLYNED-NRFANRHFSA-N 1 0 356.441 3.742 10 0 FHAERO CCOC1(c2nc([C@H]3CCCO3)no2)CC[NH+](Cc2cccc(C)c2)CC1 ZINC000583615914 570809341 /nfs/dbraw/zinc/80/93/41/570809341.db2.gz NVMYIPKNYKVUFI-GOSISDBHSA-N 1 0 371.481 3.757 10 0 FHAERO O=C(COC1CCCCC1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261697788 571018284 /nfs/dbraw/zinc/01/82/84/571018284.db2.gz LELNPWRDLOQVPH-GOSISDBHSA-N 1 0 362.539 3.568 10 0 FHAERO CCc1c[nH]nc1C1CC[NH+](Cc2cnc(-c3cccs3)nc2)CC1 ZINC000077504053 571140517 /nfs/dbraw/zinc/14/05/17/571140517.db2.gz UIMDGIRLIVJFGT-UHFFFAOYSA-N 1 0 353.495 3.870 10 0 FHAERO Cc1nc(C(F)(F)F)nc(-c2cc3c(c(Cl)c2)O[C@@H](C[NH3+])C3)c1C ZINC000067881339 571151250 /nfs/dbraw/zinc/15/12/50/571151250.db2.gz HYTVIPYACJYRQI-LLVKDONJSA-N 1 0 357.763 3.695 10 0 FHAERO C[C@H](Nc1ncnc2c1CC[N@H+](Cc1cccnc1)CC2)c1ccccc1 ZINC000072470244 571198186 /nfs/dbraw/zinc/19/81/86/571198186.db2.gz WORDQRFAXWAXQP-KRWDZBQOSA-N 1 0 359.477 3.646 10 0 FHAERO CC[N@H+](C)C[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000536952781 571208216 /nfs/dbraw/zinc/20/82/16/571208216.db2.gz HLWANWVOWIBDJO-DEOSSOPVSA-N 1 0 374.528 3.881 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccc(Br)c(F)c1 ZINC000675055832 571271369 /nfs/dbraw/zinc/27/13/69/571271369.db2.gz ZERXLRPCLHQBQB-RISCZKNCSA-N 1 0 373.266 3.988 10 0 FHAERO CCc1nn(C)c(CC)c1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1 ZINC000328606279 571323990 /nfs/dbraw/zinc/32/39/90/571323990.db2.gz QXSXZTPODYKLCJ-QVKFZJNVSA-N 1 0 371.529 3.605 10 0 FHAERO Cc1cccc(CC(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000328648486 571325966 /nfs/dbraw/zinc/32/59/66/571325966.db2.gz URFNSGSTPUIBHX-IBGZPJMESA-N 1 0 354.519 3.770 10 0 FHAERO CCc1ncc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000328648413 571326054 /nfs/dbraw/zinc/32/60/54/571326054.db2.gz UMNYPTWTYIXJNU-OAHLLOKOSA-N 1 0 361.536 3.552 10 0 FHAERO CCOc1cccc([C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000120279240 209353152 /nfs/dbraw/zinc/35/31/52/209353152.db2.gz OQDPODIRTKZTQX-JXFKEZNVSA-N 1 0 355.482 3.748 10 0 FHAERO C[N@@H+]1CCC[C@@]2(CN(Cc3ccc(Cl)c(C(F)(F)F)c3)CCO2)C1 ZINC000096157082 209126359 /nfs/dbraw/zinc/12/63/59/209126359.db2.gz OYOVQMCPJSYMMD-INIZCTEOSA-N 1 0 362.823 3.655 10 0 FHAERO COc1ccc(-c2cnc(OC3CC[NH+](C4CCCC4)CC3)nc2)cc1 ZINC000034434391 206812059 /nfs/dbraw/zinc/81/20/59/206812059.db2.gz POSYNSSTGNLPEA-UHFFFAOYSA-N 1 0 353.466 3.938 10 0 FHAERO COc1ccc(C(=O)C[n+]2cn(Cc3ccccc3)c3ccccc32)cc1 ZINC000005329944 207094823 /nfs/dbraw/zinc/09/48/23/207094823.db2.gz GDMJECPZTZDVIZ-UHFFFAOYSA-N 1 0 357.433 3.869 10 0 FHAERO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000011664123 207317150 /nfs/dbraw/zinc/31/71/50/207317150.db2.gz CUYRZCGSAAPHBU-HXUWFJFHSA-N 1 0 374.488 3.813 10 0 FHAERO CC(=O)c1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC(C)(C)C)C3=O)c1 ZINC000011707652 207320752 /nfs/dbraw/zinc/32/07/52/207320752.db2.gz HBNLJALWUSEQBE-JOCHJYFZSA-N 1 0 356.510 3.750 10 0 FHAERO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)OCO3)C1 ZINC000011933136 207329791 /nfs/dbraw/zinc/32/97/91/207329791.db2.gz ZIRGPLCZACRVDD-HNNXBMFYSA-N 1 0 370.478 3.509 10 0 FHAERO COc1cc(OC)cc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)c1 ZINC000011944474 207330320 /nfs/dbraw/zinc/33/03/20/207330320.db2.gz PHHAMINIJHCWDY-KRWDZBQOSA-N 1 0 360.498 3.621 10 0 FHAERO Cc1ccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2ccccc2F)cc1F ZINC000011910282 207328694 /nfs/dbraw/zinc/32/86/94/207328694.db2.gz MODHTYSCYJMWKP-SFHVURJKSA-N 1 0 358.432 3.944 10 0 FHAERO CCn1ccnc1CN1CCC([C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000012299313 207356799 /nfs/dbraw/zinc/35/67/99/207356799.db2.gz VDFUTKYTJIBUNZ-QFIPXVFZSA-N 1 0 366.553 3.680 10 0 FHAERO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2ccncc2)CC1 ZINC000012448193 207379540 /nfs/dbraw/zinc/37/95/40/207379540.db2.gz RWECJSFOSLOCTM-UHFFFAOYSA-N 1 0 352.478 3.860 10 0 FHAERO CCOc1ccc(-c2csc3ncnc(N4CCC[NH2+]CC4)c23)cc1 ZINC000020319710 207731660 /nfs/dbraw/zinc/73/16/60/207731660.db2.gz VIBLSDODOCFNSL-UHFFFAOYSA-N 1 0 354.479 3.557 10 0 FHAERO CCOc1ccc(-c2nc(C(=O)NC[C@@H](C)[NH+](CC)CC)cs2)cc1 ZINC000031825055 208018209 /nfs/dbraw/zinc/01/82/09/208018209.db2.gz ZQWQYMCCJPARNB-CQSZACIVSA-N 1 0 361.511 3.669 10 0 FHAERO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)C(C)C)cc1OC ZINC000036096001 208146667 /nfs/dbraw/zinc/14/66/67/208146667.db2.gz DNAVKZPFXBGEDE-IBGZPJMESA-N 1 0 361.457 3.862 10 0 FHAERO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COC(C)C)s1 ZINC000036101527 208147022 /nfs/dbraw/zinc/14/70/22/208147022.db2.gz ZIEWDDNQMZQZSE-GOSISDBHSA-N 1 0 351.487 3.984 10 0 FHAERO CC[NH+]1CCC([C@H](C)Nc2ccccc2I)CC1 ZINC000037221978 208178087 /nfs/dbraw/zinc/17/80/87/208178087.db2.gz YFUQOHZFRQSTFU-LBPRGKRZSA-N 1 0 358.267 3.824 10 0 FHAERO COc1ccc(-c2nc(-c3ccccc3)cc(N3CCC[NH2+]CC3)n2)cc1 ZINC000073663370 208188898 /nfs/dbraw/zinc/18/88/98/208188898.db2.gz RABZEIBLVRCINI-UHFFFAOYSA-N 1 0 360.461 3.619 10 0 FHAERO CCCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684092 208189728 /nfs/dbraw/zinc/18/97/28/208189728.db2.gz LMWPRWMFUGEOAZ-AWEZNQCLSA-N 1 0 350.388 3.652 10 0 FHAERO [NH3+]C[C@@H](Oc1ccc(I)cc1)c1cccc(F)c1 ZINC000042974095 208297877 /nfs/dbraw/zinc/29/78/77/208297877.db2.gz PYTZKXACVLHSDX-CQSZACIVSA-N 1 0 357.166 3.509 10 0 FHAERO CCOC(=O)N1CCC([NH+]2CCC(c3cccc4cc[nH]c43)CC2)CC1 ZINC000089209207 208966416 /nfs/dbraw/zinc/96/64/16/208966416.db2.gz HBNHMVBLRQVVFU-UHFFFAOYSA-N 1 0 355.482 3.968 10 0 FHAERO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCCC[C@H]1c1ccccn1 ZINC000095355621 209024091 /nfs/dbraw/zinc/02/40/91/209024091.db2.gz HMNQMHHRZHANAQ-FQEVSTJZSA-N 1 0 353.466 3.640 10 0 FHAERO Cc1cc(N2CCC([NH2+]Cc3cc(F)ccc3C(F)(F)F)CC2)ncn1 ZINC000095511316 132213271 /nfs/dbraw/zinc/21/32/71/132213271.db2.gz LPEHXDHQWBYCAY-UHFFFAOYSA-N 1 0 368.378 3.702 10 0 FHAERO C[NH+]1CCN(c2nc3ccccc3c(NCc3ccccc3Cl)n2)CC1 ZINC000072260573 136143991 /nfs/dbraw/zinc/14/39/91/136143991.db2.gz LQQNDUYTMRTZGH-UHFFFAOYSA-N 1 0 367.884 3.647 10 0 FHAERO Cc1cc(N2CCC[C@]3(CCC(=O)N(Cc4ccncc4)C3)C2)cc(C)[nH+]1 ZINC000072410998 136145500 /nfs/dbraw/zinc/14/55/00/136145500.db2.gz SNUKSWJLVNJDBB-QFIPXVFZSA-N 1 0 364.493 3.503 10 0 FHAERO COc1cccc(C[NH+]2CCC3(C[C@@H]3N(C)Cc3nccs3)CC2)c1 ZINC000275696648 525935876 /nfs/dbraw/zinc/93/58/76/525935876.db2.gz MWWGAPFKXNDHTD-SFHVURJKSA-N 1 0 357.523 3.638 10 0 FHAERO Cc1cnc(C[NH2+]C2CCN(c3ccc(-c4cscn4)cc3)CC2)cn1 ZINC000020783143 526037758 /nfs/dbraw/zinc/03/77/58/526037758.db2.gz QLKCFTKYSXJSAV-UHFFFAOYSA-N 1 0 365.506 3.667 10 0 FHAERO Cc1cc(=O)[nH]c(-c2cccc(C[N@H+](CC3CCC3)C[C@@H]3CCCO3)c2)n1 ZINC000020774506 526120310 /nfs/dbraw/zinc/12/03/10/526120310.db2.gz DKCAIJNCZNYBPH-FQEVSTJZSA-N 1 0 367.493 3.526 10 0 FHAERO CSc1nnc([C@@H]2CCC[NH2+]C2)n1-c1ccc(Br)c(C)c1 ZINC000229002014 526229102 /nfs/dbraw/zinc/22/91/02/526229102.db2.gz JTKSXXKUAOJKDU-LLVKDONJSA-N 1 0 367.316 3.527 10 0 FHAERO Clc1ccc(C[NH2+]C[C@H]2Cn3c(-c4ccccc4)cnc3CO2)cc1 ZINC000096269368 560053996 /nfs/dbraw/zinc/05/39/96/560053996.db2.gz JGXRQUVHIVJZCG-SFHVURJKSA-N 1 0 353.853 3.892 10 0 FHAERO Cc1cccc2cc(C[NH2+][C@@H]3CCS(=O)(=O)C3)c(-c3cccs3)nc12 ZINC000012049244 570714901 /nfs/dbraw/zinc/71/49/01/570714901.db2.gz HHLQUHQGMZEANI-MRXNPFEDSA-N 1 0 372.515 3.548 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2cc(F)cc(Br)c2)C1 ZINC000675054405 571158304 /nfs/dbraw/zinc/15/83/04/571158304.db2.gz NGDXQKSNNFWAFH-ZIAGYGMSSA-N 1 0 373.266 3.906 10 0 FHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000190422711 571185861 /nfs/dbraw/zinc/18/58/61/571185861.db2.gz NMVBXHSIKJABOA-HKUYNNGSSA-N 1 0 355.482 3.626 10 0 FHAERO COc1ccccc1C[C@@H](C)[NH2+][C@@H](c1nc(C(C)C)no1)C1CCOCC1 ZINC000328644789 571325922 /nfs/dbraw/zinc/32/59/22/571325922.db2.gz ZIKMXROYNBHQRX-DNVCBOLYSA-N 1 0 373.497 3.890 10 0 FHAERO COC1(c2nc(Cc3ccccc3)no2)CC[NH+](Cc2ccsc2)CC1 ZINC000225839164 571338565 /nfs/dbraw/zinc/33/85/65/571338565.db2.gz JEQYVEQCXBOUPJ-UHFFFAOYSA-N 1 0 369.490 3.860 10 0 FHAERO NC(=[NH2+])CCN(Cc1ccc(F)cc1Br)c1ccccc1 ZINC000019808553 209611196 /nfs/dbraw/zinc/61/11/96/209611196.db2.gz UXCVSGMHKWLTFZ-UHFFFAOYSA-N 1 0 350.235 3.921 10 0 FHAERO C[C@H]([NH3+])[C@H](Oc1cccc(I)c1)c1ccc(F)cc1 ZINC000042942374 209270680 /nfs/dbraw/zinc/27/06/80/209270680.db2.gz TVXNNEMWACYOJS-BONVTDFDSA-N 1 0 371.193 3.898 10 0 FHAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000097394647 209180281 /nfs/dbraw/zinc/18/02/81/209180281.db2.gz VAAMLPZZNGLHNQ-YJBOKZPZSA-N 1 0 359.518 3.536 10 0 FHAERO Cc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c(C)n1-c1nccs1 ZINC000097285741 209177727 /nfs/dbraw/zinc/17/77/27/209177727.db2.gz UEHCGJSABBTODA-GOSISDBHSA-N 1 0 368.506 3.583 10 0 FHAERO C[N@@H+]1CCC[C@]2(CN(Cc3ccc(Cl)c(C(F)(F)F)c3)CCO2)C1 ZINC000096157081 209126301 /nfs/dbraw/zinc/12/63/01/209126301.db2.gz OYOVQMCPJSYMMD-MRXNPFEDSA-N 1 0 362.823 3.655 10 0 FHAERO COC[C@H]1CCC[N@H+](Cc2nc3ccccc3c(N3CCCCCC3)n2)C1 ZINC000011996141 207332593 /nfs/dbraw/zinc/33/25/93/207332593.db2.gz AFYJMZZLVIDDSG-SFHVURJKSA-N 1 0 368.525 3.869 10 0 FHAERO COc1ccccc1NC(=O)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000022197814 207797717 /nfs/dbraw/zinc/79/77/17/207797717.db2.gz GCJHTKDTGCGWOV-UHFFFAOYSA-N 1 0 352.478 3.979 10 0 FHAERO C[NH2+][C@H](c1ccc(I)cc1)c1ccc(OC)cc1 ZINC000035465644 208126680 /nfs/dbraw/zinc/12/66/80/208126680.db2.gz WGVHIJBPUURRHY-OAHLLOKOSA-N 1 0 353.203 3.609 10 0 FHAERO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccco3)CC2)nc1)C1CCCC1 ZINC000034681737 208104913 /nfs/dbraw/zinc/10/49/13/208104913.db2.gz PKGQWVQWYJKGTL-UHFFFAOYSA-N 1 0 368.481 3.516 10 0 FHAERO COCCc1ccc([C@@H]([NH3+])c2ccc(I)cc2)cc1 ZINC000034957803 208117379 /nfs/dbraw/zinc/11/73/79/208117379.db2.gz UHXSCWRNFORMOD-MRXNPFEDSA-N 1 0 367.230 3.528 10 0 FHAERO C[NH2+]Cc1nc2ccc(Cl)cc2n1CCc1ccc(OC)c(OC)c1 ZINC000040407112 208252423 /nfs/dbraw/zinc/25/24/23/208252423.db2.gz LCQXTXZXAHHSOL-UHFFFAOYSA-N 1 0 359.857 3.669 10 0 FHAERO O=C(NCC[NH+]1CCCC1)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000040415748 208253613 /nfs/dbraw/zinc/25/36/13/208253613.db2.gz HSBSNGNUGLATJR-UHFFFAOYSA-N 1 0 371.481 3.716 10 0 FHAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Oc1ccc(Br)cc1 ZINC000040687699 208263220 /nfs/dbraw/zinc/26/32/20/208263220.db2.gz HMTOBPJCHTYNLF-UHFFFAOYSA-N 1 0 358.199 3.752 10 0 FHAERO C[C@]1(C(=O)Nc2c(Cl)cc(Br)cc2Cl)CC[NH2+]C1 ZINC000062890124 208605666 /nfs/dbraw/zinc/60/56/66/208605666.db2.gz CNPIFPRLLKQJHV-LBPRGKRZSA-N 1 0 352.059 3.694 10 0 FHAERO Cc1nc(C2CC[NH2+]CC2)cc(N2CCC3(C=Cc4ccccc43)CC2)n1 ZINC000039354770 132301217 /nfs/dbraw/zinc/30/12/17/132301217.db2.gz APHLAHFUZIMFPW-UHFFFAOYSA-N 1 0 360.505 3.817 10 0 FHAERO c1ccc2c(c1)CC[C@@H]2CC[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC000005162671 132306174 /nfs/dbraw/zinc/30/61/74/132306174.db2.gz OARKPUCUFAIZCW-LJQANCHMSA-N 1 0 364.489 3.700 10 0 in-vitro FHAERO Cc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)cc(C)[nH+]1 ZINC000072410999 136145597 /nfs/dbraw/zinc/14/55/97/136145597.db2.gz SNUKSWJLVNJDBB-JOCHJYFZSA-N 1 0 364.493 3.503 10 0 FHAERO Cc1cc(F)ccc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000311779971 568133979 /nfs/dbraw/zinc/13/39/79/568133979.db2.gz HTIIVBDUPPGHHF-DZFGPLHGSA-N 1 0 352.453 3.775 10 0 FHAERO COc1cccc([C@]2(O)CC[C@H](OCc3ccccc3)C[C@@H]2C[NH+](C)C)c1 ZINC000140062820 570451002 /nfs/dbraw/zinc/45/10/02/570451002.db2.gz YCASJHUVYASQDJ-AKIFATBCSA-N 1 0 369.505 3.830 10 0 FHAERO CC(C)(C)OC(=O)N1CCC([C@H](CO)CC[NH2+]C2CCCCC2)CC1 ZINC000725266734 570540124 /nfs/dbraw/zinc/54/01/24/570540124.db2.gz AQBNCNHQULYIMZ-KRWDZBQOSA-N 1 0 354.535 3.554 10 0 FHAERO CCC[N@H+](C/C=C/I)[C@@H]1CCc2ccc(O)cc2C1 ZINC000053151270 570865184 /nfs/dbraw/zinc/86/51/84/570865184.db2.gz RTMIJLQPWFKAFE-WEJQMCOXSA-N 1 0 371.262 3.910 10 0 in-vitro FHAERO COc1cc([C@H]2[NH2+][C@@H](C)Cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000020572552 570919719 /nfs/dbraw/zinc/91/97/19/570919719.db2.gz CNUHJGQYBHUQKW-HXPMCKFVSA-N 1 0 352.434 3.817 10 0 FHAERO COc1cc([C@@H]2[NH2+][C@@H](C)Cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000020572550 570919802 /nfs/dbraw/zinc/91/98/02/570919802.db2.gz CNUHJGQYBHUQKW-BUXKBTBVSA-N 1 0 352.434 3.817 10 0 FHAERO CCn1ccnc1CN(Cc1coc2ccccc12)[C@H]1CC12CC[NH2+]CC2 ZINC000261935415 571034191 /nfs/dbraw/zinc/03/41/91/571034191.db2.gz JZISMTSOQUOQTK-FQEVSTJZSA-N 1 0 364.493 3.794 10 0 FHAERO Cc1cc(C[NH+]2CCC(CCC(=O)NCc3cccnc3)CC2)oc1C ZINC000012434935 571101437 /nfs/dbraw/zinc/10/14/37/571101437.db2.gz FQROEMIAOZUWDP-UHFFFAOYSA-N 1 0 355.482 3.600 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC000675052787 571148252 /nfs/dbraw/zinc/14/82/52/571148252.db2.gz FDDMSQBNUPRRQJ-ZIAGYGMSSA-N 1 0 355.276 3.767 10 0 FHAERO COc1cccc([C@]2(O)CC[C@H](OCc3ccccc3)C[C@H]2C[NH+](C)C)c1 ZINC000253496224 571200460 /nfs/dbraw/zinc/20/04/60/571200460.db2.gz YCASJHUVYASQDJ-ACIOBRDBSA-N 1 0 369.505 3.830 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2cccc(Br)c2F)C1 ZINC000675055488 571271239 /nfs/dbraw/zinc/27/12/39/571271239.db2.gz UBKQYCFWJRZLKN-MFKMUULPSA-N 1 0 373.266 3.906 10 0 FHAERO CN1CC[C@@H](C[NH2+]Cc2cccn2Cc2cccs2)[C@@H]1c1cccnc1 ZINC000328629412 571325087 /nfs/dbraw/zinc/32/50/87/571325087.db2.gz IDZIXEARBRNGER-RXVVDRJESA-N 1 0 366.534 3.776 10 0 FHAERO C[N@@H+](Cc1ccc(Cl)cn1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328643587 571325784 /nfs/dbraw/zinc/32/57/84/571325784.db2.gz RMBJMHIVBNTJDN-LLVKDONJSA-N 1 0 358.795 3.645 10 0 FHAERO Cc1c2ccccc2oc1-c1nnc2sc(CC[NH+]3CCCCC3)nn21 ZINC000096194446 571334841 /nfs/dbraw/zinc/33/48/41/571334841.db2.gz WKCHABVRRAFZRM-UHFFFAOYSA-N 1 0 367.478 3.936 10 0 FHAERO C[C@H]([NH3+])[C@H](Oc1ccc(I)cc1)c1cccc(F)c1 ZINC000042974097 209273220 /nfs/dbraw/zinc/27/32/20/209273220.db2.gz JGQAACBPUAIGLF-BONVTDFDSA-N 1 0 371.193 3.898 10 0 FHAERO CC[NH+](CC)[C@@H](C)CNC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000106234844 209272778 /nfs/dbraw/zinc/27/27/78/209272778.db2.gz HZVKJEXNGCILKP-JTQLQIEISA-N 1 0 367.704 3.872 10 0 FHAERO FC(F)(F)c1nn(CC[NH+]2CCCC2)c2ccc(Br)cc21 ZINC000098177925 209205357 /nfs/dbraw/zinc/20/53/57/209205357.db2.gz YDVADSHZHGETIL-UHFFFAOYSA-N 1 0 362.193 3.913 10 0 FHAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000097437237 209181661 /nfs/dbraw/zinc/18/16/61/209181661.db2.gz PLPRSRPYRXXYOZ-HIFRSBDPSA-N 1 0 357.445 3.625 10 0 FHAERO C[N@@H+]1CCO[C@]2(CCCN(Cc3ccc(Cl)c(C(F)(F)F)c3)C2)C1 ZINC000096268622 209147837 /nfs/dbraw/zinc/14/78/37/209147837.db2.gz BDSLFMBQUWOAPS-MRXNPFEDSA-N 1 0 362.823 3.655 10 0 FHAERO CC(C)C[NH+](CCN1CCN(C(=O)OC2CCCCC2)CC1)CC(C)C ZINC000022596171 206805503 /nfs/dbraw/zinc/80/55/03/206805503.db2.gz ZRIMBTJHGIFNOB-UHFFFAOYSA-N 1 0 367.578 3.687 10 0 FHAERO CCOc1ccc([C@@H]([NH2+]C)c2ccc(I)cc2)cc1 ZINC000035466435 207177534 /nfs/dbraw/zinc/17/75/34/207177534.db2.gz GYMJALRVAQPJNT-INIZCTEOSA-N 1 0 367.230 3.999 10 0 FHAERO CSCCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000012001577 207332694 /nfs/dbraw/zinc/33/26/94/207332694.db2.gz VTMGVDGANWKULL-LJQANCHMSA-N 1 0 368.493 3.532 10 0 FHAERO O=C1N(CCC2CCCCC2)CCC[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000012437405 207376849 /nfs/dbraw/zinc/37/68/49/207376849.db2.gz SSSJRPKVDFJYTN-JOCHJYFZSA-N 1 0 355.526 3.867 10 0 FHAERO COCCC[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036031399 208140461 /nfs/dbraw/zinc/14/04/61/208140461.db2.gz HKFRKLRJGOFFPV-KRWDZBQOSA-N 1 0 369.914 3.680 10 0 FHAERO COC(=O)CCC[C@@H]([NH3+])c1cc(Br)ccc1Br ZINC000037636022 208185059 /nfs/dbraw/zinc/18/50/59/208185059.db2.gz OIANDVOUXXJJIH-LLVKDONJSA-N 1 0 365.065 3.555 10 0 FHAERO CCc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073685250 208190130 /nfs/dbraw/zinc/19/01/30/208190130.db2.gz RXGFTQLSLQJZTI-HNNXBMFYSA-N 1 0 350.388 3.889 10 0 FHAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)n1cc(Br)cn1 ZINC000043093835 208299442 /nfs/dbraw/zinc/29/94/42/208299442.db2.gz KXYUTGOEOWYPHW-CHWSQXEVSA-N 1 0 373.092 3.735 10 0 FHAERO C[C@@]1(OCC[NH+]2CCCCC2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000095934678 209087303 /nfs/dbraw/zinc/08/73/03/209087303.db2.gz YULVVEUROXJDEB-HSZRJFAPSA-N 1 0 364.489 3.951 10 0 FHAERO CCc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCC([NH3+])CC2)c1C ZINC000073663234 132376776 /nfs/dbraw/zinc/37/67/76/132376776.db2.gz DGCONWROOKEZNV-UHFFFAOYSA-N 1 0 364.415 3.961 10 0 FHAERO [NH3+]C1CCN(c2cc(-c3ccncc3)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000073663250 132376816 /nfs/dbraw/zinc/37/68/16/132376816.db2.gz SHGAGZZWCBWRBB-UHFFFAOYSA-N 1 0 365.868 3.787 10 0 FHAERO [NH3+]CC1CCN(c2cc(-c3ccncc3)nc(-c3ccccc3F)n2)CC1 ZINC000073684546 132376974 /nfs/dbraw/zinc/37/69/74/132376974.db2.gz QCKWDWVUSADWKT-UHFFFAOYSA-N 1 0 363.440 3.520 10 0 FHAERO C[NH2+][C@H]1CCN(c2ccc(Br)cc2Br)[C@H](C)C1 ZINC000049713581 132954411 /nfs/dbraw/zinc/95/44/11/132954411.db2.gz JWCUZZHYDWLHEY-KOLCDFICSA-N 1 0 362.109 3.788 10 0 FHAERO Cc1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)oc1C ZINC000019789655 524688178 /nfs/dbraw/zinc/68/81/78/524688178.db2.gz MVYVXNKFPRKWSO-NRFANRHFSA-N 1 0 353.510 3.683 10 0 FHAERO Fc1cccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)c1 ZINC000073684776 526381153 /nfs/dbraw/zinc/38/11/53/526381153.db2.gz JQVKUTKEMLLQBG-HNNXBMFYSA-N 1 0 363.440 3.756 10 0 FHAERO Fc1cccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccncc3)n2)c1 ZINC000073684770 526381964 /nfs/dbraw/zinc/38/19/64/526381964.db2.gz QRNNAMUOQAUYJU-OAHLLOKOSA-N 1 0 363.440 3.756 10 0 FHAERO Fc1cccc(Cc2noc(CN3CCC[N@@H+](C4CCCCC4)CC3)n2)c1 ZINC000020207374 526390477 /nfs/dbraw/zinc/39/04/77/526390477.db2.gz DMKPDBCMNUFCTG-UHFFFAOYSA-N 1 0 372.488 3.640 10 0 FHAERO CCC(C)(C)[NH2+]CC[C@H](CO)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000725267653 570540954 /nfs/dbraw/zinc/54/09/54/570540954.db2.gz PPCUTKGDHWCENP-ZACQAIPSSA-N 1 0 356.551 3.656 10 0 FHAERO CC(C)(C)N[N+](=O)c1c(N)cc(Br)cc1Br ZINC000364277908 570648458 /nfs/dbraw/zinc/64/84/58/570648458.db2.gz MAXUVWJLKUHOMI-UHFFFAOYSA-N 1 0 352.050 3.507 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC000675052782 571148348 /nfs/dbraw/zinc/14/83/48/571148348.db2.gz FDDMSQBNUPRRQJ-KBPBESRZSA-N 1 0 355.276 3.767 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)c(C(F)(F)F)c2)[C@H]([NH3+])C1 ZINC000071790619 571166824 /nfs/dbraw/zinc/16/68/24/571166824.db2.gz INWRFRNRBLUBNC-BXUZGUMPSA-N 1 0 362.367 3.896 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2ccc(Br)cc2F)C1 ZINC000675055169 571176539 /nfs/dbraw/zinc/17/65/39/571176539.db2.gz QSYUEZBXGLJRNO-RISCZKNCSA-N 1 0 373.266 3.906 10 0 FHAERO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3nc4ccccc4nc3C)C2)c1 ZINC000077303621 571207362 /nfs/dbraw/zinc/20/73/62/571207362.db2.gz SNMUSKMWYSXACR-MRXNPFEDSA-N 1 0 363.461 3.945 10 0 FHAERO COc1c(O)cccc1[C@H](O)C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000013109243 571212066 /nfs/dbraw/zinc/21/20/66/571212066.db2.gz DVDGOKMQDYFKFY-HXUWFJFHSA-N 1 0 359.441 3.528 10 0 FHAERO CN1CC[C@@H](C[NH2+]Cc2csc(Br)c2)[C@@H]1c1cccnc1 ZINC000328636276 571325613 /nfs/dbraw/zinc/32/56/13/571325613.db2.gz NZJINTXNHZDBTD-HOCLYGCPSA-N 1 0 366.328 3.688 10 0 FHAERO C[C@@H]([NH3+])[C@H](Oc1cccc(I)c1)c1ccccc1F ZINC000043048441 209273975 /nfs/dbraw/zinc/27/39/75/209273975.db2.gz SYEFHEJKRRFLDE-BMIGLBTASA-N 1 0 371.193 3.898 10 0 FHAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1I)c1ccccc1F ZINC000043048595 209274403 /nfs/dbraw/zinc/27/44/03/209274403.db2.gz ZCTZDBQJXVWFGJ-ZUZCIYMTSA-N 1 0 371.193 3.898 10 0 FHAERO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COCc4cccnc4)C[C@H]32)s1 ZINC000096250629 209144706 /nfs/dbraw/zinc/14/47/06/209144706.db2.gz DZQSZYUSALJWIU-MISYRCLQSA-N 1 0 358.507 3.648 10 0 FHAERO [NH3+][C@@H](c1ccc(Br)s1)c1cc2c(cc1Cl)OCCO2 ZINC000035382022 207139154 /nfs/dbraw/zinc/13/91/54/207139154.db2.gz LZKHPUHTVDSLJZ-CYBMUJFWSA-N 1 0 360.660 3.983 10 0 FHAERO Cc1cccc(CN2CCC[C@@]3(CC[N@@H+](C4CCSCC4)C3)C2=O)c1 ZINC000011817168 207323481 /nfs/dbraw/zinc/32/34/81/207323481.db2.gz MZGOZXQCSSJFEE-NRFANRHFSA-N 1 0 358.551 3.705 10 0 FHAERO O[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH+]1CCCCCC1 ZINC000012049057 207334190 /nfs/dbraw/zinc/33/41/90/207334190.db2.gz GEYBUOKYRNNYAD-QZTJIDSGSA-N 1 0 356.432 3.517 10 0 FHAERO Cc1cc(C)c(C(=O)N2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)o1 ZINC000011821676 207324440 /nfs/dbraw/zinc/32/44/40/207324440.db2.gz DNIXXGKFBAXRTQ-HXUWFJFHSA-N 1 0 367.493 3.666 10 0 FHAERO C/C(=C\c1ccco1)C[N@@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000012316886 207357730 /nfs/dbraw/zinc/35/77/30/207357730.db2.gz RZNPIDRJPPZDQN-NTEUORMPSA-N 1 0 363.417 3.860 10 0 FHAERO COc1ccc([C@@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCCC3)cc1 ZINC000022408121 207807014 /nfs/dbraw/zinc/80/70/14/207807014.db2.gz UHESDVZWMMWICE-QFIPXVFZSA-N 1 0 351.470 3.654 10 0 FHAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000031825190 208018531 /nfs/dbraw/zinc/01/85/31/208018531.db2.gz LTVRJJFRUVSDRY-MRXNPFEDSA-N 1 0 366.465 3.592 10 0 FHAERO C[NH2+]Cc1cc(F)ccc1Oc1ccccc1I ZINC000035454761 208126005 /nfs/dbraw/zinc/12/60/05/208126005.db2.gz JVEGNIHOJCUAMJ-UHFFFAOYSA-N 1 0 357.166 3.942 10 0 FHAERO C[NH2+][C@H](c1ccc(I)cc1)c1ccc(F)cc1F ZINC000035491696 208126670 /nfs/dbraw/zinc/12/66/70/208126670.db2.gz AXLKLZFAPVPDLM-CQSZACIVSA-N 1 0 359.157 3.878 10 0 FHAERO COc1cc(C[NH2+]C2CCCC2)ccc1OCC(=O)Nc1ccccc1 ZINC000036611912 208166323 /nfs/dbraw/zinc/16/63/23/208166323.db2.gz FNAHRQPFBJXETN-UHFFFAOYSA-N 1 0 354.450 3.745 10 0 FHAERO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc(C)s1)Cc1ccccc1 ZINC000036031473 208140788 /nfs/dbraw/zinc/14/07/88/208140788.db2.gz OHOYHFJNUJVCEX-GOSISDBHSA-N 1 0 361.507 3.763 10 0 FHAERO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COCC(C)C)c1 ZINC000036098274 208146313 /nfs/dbraw/zinc/14/63/13/208146313.db2.gz RWRRBGZRHNULRQ-NRFANRHFSA-N 1 0 357.494 3.731 10 0 FHAERO CCC[C@@H](O)C[N@H+](CCc1nc(-c2ccc(C)cc2)no1)Cc1ccco1 ZINC000036147359 208148108 /nfs/dbraw/zinc/14/81/08/208148108.db2.gz BGQKPOUFTHKVTR-GOSISDBHSA-N 1 0 369.465 3.844 10 0 FHAERO CC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145863 208148859 /nfs/dbraw/zinc/14/88/59/208148859.db2.gz PUPIPBSVKMXEEU-UXHICEINSA-N 1 0 356.441 3.592 10 0 FHAERO CC(C)[NH2+]CCC(=O)Nc1cc(Br)ccc1Br ZINC000037618918 208184558 /nfs/dbraw/zinc/18/45/58/208184558.db2.gz PXTQOKCGZRZNGZ-UHFFFAOYSA-N 1 0 364.081 3.538 10 0 FHAERO Fc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3ccccn3)n2)cc1 ZINC000073684990 208189819 /nfs/dbraw/zinc/18/98/19/208189819.db2.gz HSXFCIMSIDJAIK-HNNXBMFYSA-N 1 0 363.440 3.756 10 0 FHAERO Cc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccncc3)n2)cc1 ZINC000073684738 208190097 /nfs/dbraw/zinc/19/00/97/208190097.db2.gz MXEPCMNJEWRBNE-QGZVFWFLSA-N 1 0 359.477 3.926 10 0 FHAERO Cc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3ccncc3)n2)cc1 ZINC000073684742 208190338 /nfs/dbraw/zinc/19/03/38/208190338.db2.gz MXEPCMNJEWRBNE-KRWDZBQOSA-N 1 0 359.477 3.926 10 0 FHAERO COc1cc(C[NH+]2CCC(N(C(C)=O)c3ccccc3)CC2)cc(OC)c1 ZINC000040414686 208252477 /nfs/dbraw/zinc/25/24/77/208252477.db2.gz NHHMFKWCOULRDJ-UHFFFAOYSA-N 1 0 368.477 3.721 10 0 FHAERO CCC[NH2+][C@H]1CCN(c2cc(Br)ccc2Br)C1 ZINC000042580561 208293927 /nfs/dbraw/zinc/29/39/27/208293927.db2.gz WWLZARCECMYAKF-NSHDSACASA-N 1 0 362.109 3.790 10 0 FHAERO C[C@@H]([NH3+])[C@H](Oc1ccc(I)cc1)c1ccccc1 ZINC000042904040 208297975 /nfs/dbraw/zinc/29/79/75/208297975.db2.gz MSZQQSPUKGMRFW-ABAIWWIYSA-N 1 0 353.203 3.759 10 0 FHAERO C[C@H]([NH3+])[C@H](Oc1cccc(I)c1)c1ccccc1 ZINC000042904049 208298585 /nfs/dbraw/zinc/29/85/85/208298585.db2.gz JPKYUBJLMIKIGJ-NHYWBVRUSA-N 1 0 353.203 3.759 10 0 FHAERO COc1cccc([C@]2(C[N@@H+](Cc3ccccn3)CC(C)C)CCOC2)c1 ZINC000055252732 208471931 /nfs/dbraw/zinc/47/19/31/208471931.db2.gz NJYWZMIFADIASZ-QFIPXVFZSA-N 1 0 354.494 3.907 10 0 FHAERO CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000001847952 132382424 /nfs/dbraw/zinc/38/24/24/132382424.db2.gz FYNONADAFDXUOK-LJQANCHMSA-N 1 0 357.885 3.930 10 0 FHAERO O=C([C@@H]1CCCN(c2cc[nH+]cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000033128831 136117379 /nfs/dbraw/zinc/11/73/79/136117379.db2.gz DFSMWNIIYBFJRG-OAQYLSRUSA-N 1 0 363.505 3.779 10 0 FHAERO CC[NH+]1CCN(c2nc3ccccc3c(Nc3ccc(OC)cc3)n2)CC1 ZINC000072261080 136143916 /nfs/dbraw/zinc/14/39/16/136143916.db2.gz NXYQAGGNYMHHHU-UHFFFAOYSA-N 1 0 363.465 3.524 10 0 FHAERO CN1CCC[C@@H](C[N@H+](CCc2ccccc2)Cc2cccc3nonc32)C1 ZINC000020454320 523811698 /nfs/dbraw/zinc/81/16/98/523811698.db2.gz MWXSZRRBMYWMLI-LJQANCHMSA-N 1 0 364.493 3.609 10 0 FHAERO Fc1ccccc1-c1nc(NC[C@@H]2CCC[NH2+]C2)cc(-c2cccnc2)n1 ZINC000073684806 526406654 /nfs/dbraw/zinc/40/66/54/526406654.db2.gz FJIMSBWOIGGAEJ-OAHLLOKOSA-N 1 0 363.440 3.756 10 0 FHAERO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000020455559 526732047 /nfs/dbraw/zinc/73/20/47/526732047.db2.gz VIPNSBVADGUPAM-INIZCTEOSA-N 1 0 361.873 3.792 10 0 FHAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000275353251 527471791 /nfs/dbraw/zinc/47/17/91/527471791.db2.gz AEXMZVZQTPNNIR-GJZGRUSLSA-N 1 0 357.351 3.588 10 0 FHAERO COc1c(C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)c(C)nn1C ZINC000186506956 567927473 /nfs/dbraw/zinc/92/74/73/567927473.db2.gz SIHHKJVYFSEVHF-UHFFFAOYSA-N 1 0 353.388 3.577 10 0 FHAERO CSCc1cccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000186848514 567992175 /nfs/dbraw/zinc/99/21/75/567992175.db2.gz OYZFAAJIQTWNOY-IBGZPJMESA-N 1 0 357.523 3.652 10 0 FHAERO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2csc(C3CCCCC3)n2)CC1 ZINC000106124851 568726966 /nfs/dbraw/zinc/72/69/66/568726966.db2.gz WGASVZXNELOLNX-MRXNPFEDSA-N 1 0 365.587 3.715 10 0 FHAERO [NH3+]C[C@@H]1[C@H](F)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725244890 570442002 /nfs/dbraw/zinc/44/20/02/570442002.db2.gz BDEYDHJIMQNIJJ-WOJBJXKFSA-N 1 0 354.425 3.697 10 0 FHAERO O=C(NC[C@H]1[NH2+]CCC[C@H]1F)OCC1c2ccccc2-c2ccccc21 ZINC000725245917 570448007 /nfs/dbraw/zinc/44/80/07/570448007.db2.gz MVFPPHWUSOLCOQ-WOJBJXKFSA-N 1 0 354.425 3.615 10 0 FHAERO CCC[C@@]1([NH+]2CCN(CC)CC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265597 570539024 /nfs/dbraw/zinc/53/90/24/570539024.db2.gz MFBICAGSVQOQBE-HXUWFJFHSA-N 1 0 353.551 3.584 10 0 FHAERO CCNc1ncc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)cn1 ZINC000067880318 571059111 /nfs/dbraw/zinc/05/91/11/571059111.db2.gz OKZGCHRJFSGNMX-SFHVURJKSA-N 1 0 362.481 3.678 10 0 FHAERO Cn1cc(Cl)cc1C(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262187369 571083685 /nfs/dbraw/zinc/08/36/85/571083685.db2.gz XTRIVVDBAXEJRP-MRXNPFEDSA-N 1 0 363.914 3.525 10 0 FHAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21 ZINC000003804932 571147055 /nfs/dbraw/zinc/14/70/55/571147055.db2.gz LDYMIBZOCSHLBG-QGTPRVQTSA-N 1 0 360.885 3.583 10 0 FHAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@@H]21 ZINC000003799374 571147090 /nfs/dbraw/zinc/14/70/90/571147090.db2.gz LDYMIBZOCSHLBG-BMGDILEWSA-N 1 0 360.885 3.583 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2ccc(Br)cc2)C1 ZINC000675053170 571149240 /nfs/dbraw/zinc/14/92/40/571149240.db2.gz GYYNSSJQZLQWMN-ZIAGYGMSSA-N 1 0 355.276 3.767 10 0 FHAERO Cc1nn(C)c(C)c1NC(=O)c1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000067868836 571150752 /nfs/dbraw/zinc/15/07/52/571150752.db2.gz GIEQCEMHFLXNOS-UHFFFAOYSA-N 1 0 374.488 3.848 10 0 FHAERO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C2CCCC2)CC1 ZINC000082039620 571163900 /nfs/dbraw/zinc/16/39/00/571163900.db2.gz SFUWDMXOLQMERI-UHFFFAOYSA-N 1 0 368.481 3.724 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1cc(F)cc(Br)c1 ZINC000675055770 571271266 /nfs/dbraw/zinc/27/12/66/571271266.db2.gz XUKHKWNAGVMJOK-KGLIPLIRSA-N 1 0 373.266 3.988 10 0 FHAERO Cc1noc(C)c1[C@@H](C)C(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328624202 571324638 /nfs/dbraw/zinc/32/46/38/571324638.db2.gz CGNFERFXEXUWKB-CXAGYDPISA-N 1 0 373.522 3.627 10 0 FHAERO CN(Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc(C(N)=O)c1)CC2 ZINC000328628062 571325039 /nfs/dbraw/zinc/32/50/39/571325039.db2.gz GWWZVBLGCKIXEL-QGZVFWFLSA-N 1 0 370.522 3.513 10 0 FHAERO COc1ccc([C@H](CNC(=O)CSc2ccccc2C)[NH+](C)C)cc1 ZINC000003454053 571349999 /nfs/dbraw/zinc/34/99/99/571349999.db2.gz LZTIBBXIOUQBGU-SFHVURJKSA-N 1 0 358.507 3.515 10 0 FHAERO COc1cccc(-c2nc3sc(C[NH+]4CCC(F)CC4)cc3c(N)n2)c1 ZINC000118597482 209348346 /nfs/dbraw/zinc/34/83/46/209348346.db2.gz QWQFGAWZZRDXJZ-UHFFFAOYSA-N 1 0 372.469 3.883 10 0 FHAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000108930928 209294890 /nfs/dbraw/zinc/29/48/90/209294890.db2.gz JNFCBXNJPIKFOZ-FXAWDEMLSA-N 1 0 352.478 3.845 10 0 FHAERO C[C@H]([NH3+])[C@H](Oc1cccc(I)c1)c1ccccc1F ZINC000043048438 209273589 /nfs/dbraw/zinc/27/35/89/209273589.db2.gz SYEFHEJKRRFLDE-BONVTDFDSA-N 1 0 371.193 3.898 10 0 FHAERO C[C@H]([NH3+])[C@@H](Oc1ccc(I)cc1)c1ccc(F)cc1 ZINC000042942367 209270789 /nfs/dbraw/zinc/27/07/89/209270789.db2.gz PXKAAFAJEBCBRT-ZUZCIYMTSA-N 1 0 371.193 3.898 10 0 FHAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(I)c1)c1ccc(F)cc1 ZINC000042942380 209270120 /nfs/dbraw/zinc/27/01/20/209270120.db2.gz TVXNNEMWACYOJS-MEBBXXQBSA-N 1 0 371.193 3.898 10 0 FHAERO CC(C)[NH+]1CCC2(CC1)C[C@H](NCc1ccccn1)c1ccccc1O2 ZINC000096079780 209110575 /nfs/dbraw/zinc/11/05/75/209110575.db2.gz ZKBOGOPEVKAELZ-FQEVSTJZSA-N 1 0 351.494 3.938 10 0 FHAERO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccn1C)Cc1ccccc1 ZINC000004760560 207046422 /nfs/dbraw/zinc/04/64/22/207046422.db2.gz ZANUMMTUIIFGSV-JOCHJYFZSA-N 1 0 364.489 3.776 10 0 FHAERO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1CCc1ccc(F)cc1 ZINC000011870857 207328346 /nfs/dbraw/zinc/32/83/46/207328346.db2.gz SIPHZKIOBNKCQQ-IBGZPJMESA-N 1 0 358.432 3.678 10 0 FHAERO Cc1c([C@H](C)[NH2+]C2CSCCSC2)cnn1-c1ccc(F)cc1F ZINC000012452895 207377995 /nfs/dbraw/zinc/37/79/95/207377995.db2.gz JNWQVSQDAKSHLW-NSHDSACASA-N 1 0 369.506 3.958 10 0 FHAERO CC[C@@H](C)NC(=O)CC[NH2+]C1CC(c2ccccc2Br)C1 ZINC000038014055 207807779 /nfs/dbraw/zinc/80/77/79/207807779.db2.gz YDKKIILPNHFOFL-IYXRBSQSSA-N 1 0 353.304 3.590 10 0 FHAERO Clc1ccc(CN2CCC[C@@H]([NH2+]C3CSCCSC3)C2)cc1 ZINC000023373661 207844185 /nfs/dbraw/zinc/84/41/85/207844185.db2.gz GOTKVEIMGPQGPX-MRXNPFEDSA-N 1 0 356.988 3.743 10 0 FHAERO Cc1ccc(S(=O)(=O)c2cn(C[C@H]3CCC[NH2+]C3)c3ccccc23)cc1 ZINC000038621553 208014208 /nfs/dbraw/zinc/01/42/08/208014208.db2.gz FNFLHJFBIWLMRT-KRWDZBQOSA-N 1 0 368.502 3.782 10 0 FHAERO C[NH2+][C@H](c1cccc(I)c1)c1cc(F)ccc1F ZINC000035468641 208127149 /nfs/dbraw/zinc/12/71/49/208127149.db2.gz SYVDQIKIVQPVQK-CQSZACIVSA-N 1 0 359.157 3.878 10 0 FHAERO COc1ccc(N(C(C)=O)C2CC[NH+](Cc3cccs3)CC2)cc1OC ZINC000034682852 208105608 /nfs/dbraw/zinc/10/56/08/208105608.db2.gz VERSTYRLFCGFGJ-UHFFFAOYSA-N 1 0 374.506 3.783 10 0 FHAERO CCC(=O)N(c1cccc(OC)c1)C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000034683456 208105869 /nfs/dbraw/zinc/10/58/69/208105869.db2.gz WRVIJNZCIUIWCK-UHFFFAOYSA-N 1 0 368.477 3.808 10 0 FHAERO COCCc1ccc([C@H]([NH3+])c2cccc(I)c2)cc1 ZINC000034957818 208116793 /nfs/dbraw/zinc/11/67/93/208116793.db2.gz FXGXULHDPBEFAI-INIZCTEOSA-N 1 0 367.230 3.528 10 0 FHAERO Cc1cccc(Cl)c1OCc1ccc(C(=O)NC2CC[NH+](C)CC2)o1 ZINC000036611133 208165152 /nfs/dbraw/zinc/16/51/52/208165152.db2.gz RDXSJLMLLQUPIJ-UHFFFAOYSA-N 1 0 362.857 3.644 10 0 FHAERO CC(C)COC[C@H](O)C[N@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103523 208146023 /nfs/dbraw/zinc/14/60/23/208146023.db2.gz BBLXQMBCJHJVSX-GOSISDBHSA-N 1 0 351.487 3.923 10 0 FHAERO CC(C)CC[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)COCc1ccco1 ZINC000036099800 208146386 /nfs/dbraw/zinc/14/63/86/208146386.db2.gz JXSPVRLFWNPIDJ-SFHVURJKSA-N 1 0 367.436 3.984 10 0 FHAERO O=C(CC[NH2+]C1CC1)Nc1c(Cl)cc(Br)cc1Cl ZINC000037612152 208184078 /nfs/dbraw/zinc/18/40/78/208184078.db2.gz HMUHMTNMWTXMTL-UHFFFAOYSA-N 1 0 352.059 3.837 10 0 FHAERO CCOC(=O)[C@](C)(CO)CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000072204029 208186223 /nfs/dbraw/zinc/18/62/23/208186223.db2.gz GMEICFDVACETBY-QFIPXVFZSA-N 1 0 355.478 3.641 10 0 FHAERO Cc1ccc(C(C)C)c(OCC(=O)N2CC[NH+]=Cc3cc(N)ccc32)c1 ZINC000073642439 208187899 /nfs/dbraw/zinc/18/78/99/208187899.db2.gz HELGWPLRZPJISC-UHFFFAOYSA-N 1 0 351.450 3.545 10 0 FHAERO Cc1cc(NCC2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684382 208189805 /nfs/dbraw/zinc/18/98/05/208189805.db2.gz PFBXDTULVQETGR-UHFFFAOYSA-N 1 0 350.388 3.882 10 0 FHAERO C[NH2+]Cc1nc2cc(Cl)ccc2n1CCc1ccc(OC)c(OC)c1 ZINC000040407109 208252361 /nfs/dbraw/zinc/25/23/61/208252361.db2.gz BZTOIXLFIIOZRL-UHFFFAOYSA-N 1 0 359.857 3.669 10 0 FHAERO CN(c1ncnc(Oc2cccc3ccccc32)c1N)C1CC[NH+](C)CC1 ZINC000040683436 208261157 /nfs/dbraw/zinc/26/11/57/208261157.db2.gz HNCLJYUWPREEBB-UHFFFAOYSA-N 1 0 363.465 3.535 10 0 FHAERO CN(c1ncnc(Oc2ccc3ccccc3c2)c1N)C1CC[NH+](C)CC1 ZINC000040687903 208262474 /nfs/dbraw/zinc/26/24/74/208262474.db2.gz XHSWYKITNAAAOH-UHFFFAOYSA-N 1 0 363.465 3.535 10 0 FHAERO COc1cc(OC)c(Nc2ncnc(Nc3cc[nH+]cc3)c2N)cc1Cl ZINC000040687660 208263066 /nfs/dbraw/zinc/26/30/66/208263066.db2.gz OFWGGLDZYVUWPG-UHFFFAOYSA-N 1 0 372.816 3.612 10 0 FHAERO O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1C[NH+]1CCCC1 ZINC000041971462 208289567 /nfs/dbraw/zinc/28/95/67/208289567.db2.gz PPTKZHKRTRIOHM-UHFFFAOYSA-N 1 0 352.434 3.582 10 0 FHAERO C[C@H]([N@H+](C)CC(=O)c1ccc(I)cc1)C(C)(C)C ZINC000042773624 208295547 /nfs/dbraw/zinc/29/55/47/208295547.db2.gz RISLBVOMKSQGGG-NSHDSACASA-N 1 0 359.251 3.840 10 0 FHAERO Cc1ccc([C@@H](C[NH3+])Oc2cccc(I)c2)cc1 ZINC000042907241 208298993 /nfs/dbraw/zinc/29/89/93/208298993.db2.gz RMHVPPDNGVIHOX-OAHLLOKOSA-N 1 0 353.203 3.678 10 0 FHAERO C[C@H]([NH3+])[C@@H](Oc1cccc(I)c1)c1cccs1 ZINC000043111218 208302425 /nfs/dbraw/zinc/30/24/25/208302425.db2.gz WVJCGMKPHXWKPQ-TVQRCGJNSA-N 1 0 359.232 3.820 10 0 FHAERO CCCO[C@@H]1CCC[N@H+](Cc2ccccc2-c2nc(C(C)C)cc(=O)[nH]2)C1 ZINC000048159235 208389569 /nfs/dbraw/zinc/38/95/69/208389569.db2.gz CCSNGTUGGGADML-GOSISDBHSA-N 1 0 369.509 3.951 10 0 FHAERO C[NH+](C)C[C@@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccccc1 ZINC000048274586 208395171 /nfs/dbraw/zinc/39/51/71/208395171.db2.gz CIZSOPPUUHOQCE-GOSISDBHSA-N 1 0 354.498 3.548 10 0 FHAERO CCc1noc(CC[NH2+]C2CCN(c3cccc(-c4ccco4)c3)CC2)n1 ZINC000023338018 132374112 /nfs/dbraw/zinc/37/41/12/132374112.db2.gz BSTAOZIIBBSCMI-UHFFFAOYSA-N 1 0 366.465 3.693 10 0 FHAERO C[N@H+](Cc1[nH]nc2c1CCCCC2)C[C@@]1(c2cccc(F)c2)CCOC1 ZINC000020820793 523543339 /nfs/dbraw/zinc/54/33/39/523543339.db2.gz CXFAIQCDFNHYBB-NRFANRHFSA-N 1 0 357.473 3.608 10 0 FHAERO C[C@H](NC(=O)[C@H](C)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000252475044 525161022 /nfs/dbraw/zinc/16/10/22/525161022.db2.gz RLPNAROFMSFAIH-SPEDKVCISA-N 1 0 365.521 3.576 10 0 FHAERO Fc1cccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)c1 ZINC000073684774 526381630 /nfs/dbraw/zinc/38/16/30/526381630.db2.gz JQVKUTKEMLLQBG-OAHLLOKOSA-N 1 0 363.440 3.756 10 0 FHAERO CCOCC[N@@H+]1CCN(CCCOc2ccc3ccccc3c2)C[C@@H]1C ZINC000106110449 568599619 /nfs/dbraw/zinc/59/96/19/568599619.db2.gz XFEPSSXGWUFFEC-IBGZPJMESA-N 1 0 356.510 3.651 10 0 FHAERO CC[C@H]1CN(CCCOc2cccc3ccccc32)CC[N@@H+]1CCOC ZINC000106113144 568645023 /nfs/dbraw/zinc/64/50/23/568645023.db2.gz XFWBUNXJZHGEKO-FQEVSTJZSA-N 1 0 356.510 3.651 10 0 FHAERO CCC(C)(C)[NH2+]CC[C@H](CO)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000725267652 570541045 /nfs/dbraw/zinc/54/10/45/570541045.db2.gz PPCUTKGDHWCENP-GVDBMIGSSA-N 1 0 356.551 3.656 10 0 FHAERO CCC[N@H+](C/C=C/I)[C@H]1CCc2ccc(O)cc2C1 ZINC000053151271 570865128 /nfs/dbraw/zinc/86/51/28/570865128.db2.gz RTMIJLQPWFKAFE-GZTQLTBSSA-N 1 0 371.262 3.910 10 0 in-vitro FHAERO CN1CCc2c(sc3c2C[NH2+][C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000020865073 570925980 /nfs/dbraw/zinc/92/59/80/570925980.db2.gz WMSUOPQIAKGBIG-LJQANCHMSA-N 1 0 353.466 3.858 10 0 FHAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000022664495 571145402 /nfs/dbraw/zinc/14/54/02/571145402.db2.gz PDQTXDSTFLLWLW-FQEVSTJZSA-N 1 0 374.488 3.958 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2cc(F)cc(Br)c2)C1 ZINC000675054336 571158229 /nfs/dbraw/zinc/15/82/29/571158229.db2.gz NGDXQKSNNFWAFH-KGLIPLIRSA-N 1 0 373.266 3.906 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2ccc(Br)c(F)c2)C1 ZINC000675055046 571176580 /nfs/dbraw/zinc/17/65/80/571176580.db2.gz PMUNTYLPIICXMO-SMDDNHRTSA-N 1 0 373.266 3.906 10 0 FHAERO Cc1nc(C)c(C[N@H+](C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)s1 ZINC000328641132 571325774 /nfs/dbraw/zinc/32/57/74/571325774.db2.gz QJKJOALBXVMZAX-LBPRGKRZSA-N 1 0 358.433 3.670 10 0 FHAERO CN(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3cc(C(N)=O)cs3)CC2)cn1 ZINC000328656299 571326254 /nfs/dbraw/zinc/32/62/54/571326254.db2.gz ZFWIHPMSHCBZDX-OAHLLOKOSA-N 1 0 373.526 3.559 10 0 FHAERO O=C(NCCC[NH+]1CCCC1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020557541 571331120 /nfs/dbraw/zinc/33/11/20/571331120.db2.gz YJSJJTJQLROFGI-UHFFFAOYSA-N 1 0 362.564 3.817 10 0 FHAERO [NH3+]CC[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(-c2cn[nH]c2)cc1 ZINC000034842733 210245939 /nfs/dbraw/zinc/24/59/39/210245939.db2.gz PUIFTWZDTMCRPB-SFHVURJKSA-N 1 0 354.841 3.550 10 0 FHAERO COc1ccccc1/C=C/C[NH2+]C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328641586 210121312 /nfs/dbraw/zinc/12/13/12/210121312.db2.gz QPUCYPKDNIXHLP-YVARQFDVSA-N 1 0 365.399 3.776 10 0 FHAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Br)c(Br)o1 ZINC000063192017 212032032 /nfs/dbraw/zinc/03/20/32/212032032.db2.gz NBFFWRHUVHYRNG-KWQFWETISA-N 1 0 366.097 3.506 10 0 FHAERO Cc1ccc(-c2cccc(-c3ccn(CCC[NH+]4CCOCC4)n3)c2)nc1 ZINC000023399591 211387893 /nfs/dbraw/zinc/38/78/93/211387893.db2.gz IMATWTJYUANYLR-UHFFFAOYSA-N 1 0 362.477 3.643 10 0 FHAERO C[N@H+](Cc1ccoc1)Cc1ccccc1-c1nc(C(C)(C)C)cc(=O)[nH]1 ZINC000023380204 211385796 /nfs/dbraw/zinc/38/57/96/211385796.db2.gz JIVSAECNAXPYLV-UHFFFAOYSA-N 1 0 351.450 3.959 10 0 FHAERO CC[NH+]1CCC(N[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)CC1 ZINC000023338414 211383272 /nfs/dbraw/zinc/38/32/72/211383272.db2.gz JKRRFIKVPXTSQU-NRFANRHFSA-N 1 0 352.526 3.940 10 0 FHAERO [NH3+][C@H](c1ccc2c(c1)CCCO2)c1ccccc1I ZINC000038057674 211369667 /nfs/dbraw/zinc/36/96/67/211369667.db2.gz IDQHSFHWENTOIM-MRXNPFEDSA-N 1 0 365.214 3.664 10 0 FHAERO C[C@@H]([NH2+]C[C@H](O)COC1CCCCC1)c1cccc(Br)c1 ZINC000037984678 211335372 /nfs/dbraw/zinc/33/53/72/211335372.db2.gz YXGCOQNBPXQYIE-CJNGLKHVSA-N 1 0 356.304 3.810 10 0 FHAERO CC(C)CCCOC[C@@H](O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000037984654 211335166 /nfs/dbraw/zinc/33/51/66/211335166.db2.gz IWDPSSPYSIOGKG-YOEHRIQHSA-N 1 0 358.320 3.913 10 0 FHAERO Cc1cc(C)cc(OC[C@H](O)C[NH2+]Cc2ccc(Br)s2)c1 ZINC000037984949 211336974 /nfs/dbraw/zinc/33/69/74/211336974.db2.gz QLSJMISNENVDRR-CYBMUJFWSA-N 1 0 370.312 3.657 10 0 FHAERO Cc1ccc(-n2ncc(C(=O)NCCC(C)C)c2C2CC[NH2+]CC2)c(C)c1 ZINC000021018068 211303922 /nfs/dbraw/zinc/30/39/22/211303922.db2.gz GGNONZLWBOGUHR-UHFFFAOYSA-N 1 0 368.525 3.732 10 0 FHAERO O=C(N1CCc2onc(-c3ccccc3)c2C1)C1([NH+]2CCCC2)CCCC1 ZINC000020539197 211285073 /nfs/dbraw/zinc/28/50/73/211285073.db2.gz CUCWFHMCYPWAFH-UHFFFAOYSA-N 1 0 365.477 3.635 10 0 FHAERO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(OC4CCCC4)cc3)C2)C1 ZINC000015071203 211119186 /nfs/dbraw/zinc/11/91/86/211119186.db2.gz KMLUFYAXSDKKGD-HSZRJFAPSA-N 1 0 372.553 3.942 10 0 FHAERO Cc1cc2[nH]c(C(=O)NCc3cccnc3)c(C[NH+]3CCCCC3)c2s1 ZINC000065138913 221171831 /nfs/dbraw/zinc/17/18/31/221171831.db2.gz CKYDAKLBLLTFPV-UHFFFAOYSA-N 1 0 368.506 3.849 10 0 FHAERO C[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1c1ccc2c(n1)OCCN2C(=O)C(C)(C)C ZINC000098089604 132232035 /nfs/dbraw/zinc/23/20/35/132232035.db2.gz RYNGHBAZKJXXEG-GJZGRUSLSA-N 1 0 359.514 3.687 10 0 FHAERO CC[NH+]1CCN(c2cc(NC(=O)c3cccc(Cl)c3)c(N)cc2C)CC1 ZINC000226331057 132250527 /nfs/dbraw/zinc/25/05/27/132250527.db2.gz HTTRYZSCCNHRHR-UHFFFAOYSA-N 1 0 372.900 3.625 10 0 FHAERO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC000226258599 132374815 /nfs/dbraw/zinc/37/48/15/132374815.db2.gz KYJBACPXVGRQSO-UHFFFAOYSA-N 1 0 366.509 3.786 10 0 FHAERO Fc1cccc(Cl)c1Cn1c2ccccc2nc1N1CCC[NH2+]CC1 ZINC000095077090 221844350 /nfs/dbraw/zinc/84/43/50/221844350.db2.gz AUOQBAFWYWCKML-UHFFFAOYSA-N 1 0 358.848 3.677 10 0 FHAERO CC(C)[NH+]1CCC2(CC1)C[C@@H](NCc1ccccn1)c1ccccc1O2 ZINC000096079781 222017062 /nfs/dbraw/zinc/01/70/62/222017062.db2.gz ZKBOGOPEVKAELZ-HXUWFJFHSA-N 1 0 351.494 3.938 10 0 FHAERO CC(C)C[NH2+]C[C@@H](Oc1cccc(I)c1)C(C)C ZINC000104008743 222349111 /nfs/dbraw/zinc/34/91/11/222349111.db2.gz XEVWPXHHIZTWAA-OAHLLOKOSA-N 1 0 361.267 3.940 10 0 FHAERO C[C@@H]([NH3+])Cc1ccccc1Oc1ccccc1I ZINC000104285596 222353608 /nfs/dbraw/zinc/35/36/08/222353608.db2.gz GIIDHLZWAPEVOF-LLVKDONJSA-N 1 0 353.203 3.973 10 0 FHAERO Cc1cc(=O)[nH]c(-c2cccc(C[N@H+](CC3CCC3)C[C@H]3CCCO3)c2)n1 ZINC000020774509 526119813 /nfs/dbraw/zinc/11/98/13/526119813.db2.gz DKCAIJNCZNYBPH-HXUWFJFHSA-N 1 0 367.493 3.526 10 0 FHAERO CN(Cc1cscn1)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000063591148 567983880 /nfs/dbraw/zinc/98/38/80/567983880.db2.gz PUTGBXFOOZOCDK-HXUWFJFHSA-N 1 0 368.502 3.742 10 0 FHAERO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000064229869 568001241 /nfs/dbraw/zinc/00/12/41/568001241.db2.gz OKSKLPWUBCNOFB-INIZCTEOSA-N 1 0 357.420 3.622 10 0 FHAERO CC[C@@H]1CN(CCCOc2ccc3ccccc3c2)CC[N@@H+]1CCOC ZINC000106113035 568644721 /nfs/dbraw/zinc/64/47/21/568644721.db2.gz NNIOZEILWIJKJB-OAQYLSRUSA-N 1 0 356.510 3.651 10 0 FHAERO COc1ccc(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+](C)C)cc1F ZINC000075487915 570614384 /nfs/dbraw/zinc/61/43/84/570614384.db2.gz LTWNNRIUOYBSIR-UHFFFAOYSA-N 1 0 361.442 3.999 10 0 FHAERO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2)C[C@@H]1C ZINC000005458878 570627844 /nfs/dbraw/zinc/62/78/44/570627844.db2.gz FRPRNNRJTCONEC-BWAGFHJFSA-N 1 0 366.505 3.874 10 0 in-man FHAERO CN(Cc1nccs1)[C@H]1CC12CC[NH+](CCc1ccccc1F)CC2 ZINC000275848676 570728953 /nfs/dbraw/zinc/72/89/53/570728953.db2.gz WRVBKUSKSMMDJC-SFHVURJKSA-N 1 0 359.514 3.811 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC000675052783 571148306 /nfs/dbraw/zinc/14/83/06/571148306.db2.gz FDDMSQBNUPRRQJ-KGLIPLIRSA-N 1 0 355.276 3.767 10 0 FHAERO C[N@@H+](Cc1ccncc1Cl)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328647670 571175538 /nfs/dbraw/zinc/17/55/38/571175538.db2.gz UEBHHDDYEDDXAU-LLVKDONJSA-N 1 0 358.795 3.645 10 0 FHAERO O=C(CCC1CC[NH+](C2CCSCC2)CC1)N1CCc2ccccc2C1 ZINC000012576242 571185208 /nfs/dbraw/zinc/18/52/08/571185208.db2.gz HQPYHEMGTGPKDE-UHFFFAOYSA-N 1 0 372.578 3.959 10 0 FHAERO Cc1noc([C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C2CCOCC2)n1 ZINC000328627979 571324973 /nfs/dbraw/zinc/32/49/73/571324973.db2.gz NGGWZNSPHDLHPQ-XUVXKRRUSA-N 1 0 355.482 3.847 10 0 FHAERO O=C(c1ccc(F)c(F)c1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328629945 571325223 /nfs/dbraw/zinc/32/52/23/571325223.db2.gz IVHSYBCDZDXLRT-QGZVFWFLSA-N 1 0 362.445 3.811 10 0 FHAERO FC(F)(F)c1cn2c(n1)CC[C@@H](C[NH2+]Cc1cccc3cnccc31)C2 ZINC000328639887 571325708 /nfs/dbraw/zinc/32/57/08/571325708.db2.gz PTNOHMXUTUEDIA-ZDUSSCGKSA-N 1 0 360.383 3.802 10 0 FHAERO COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328653879 571326075 /nfs/dbraw/zinc/32/60/75/571326075.db2.gz XBEVDBKWCMZCOV-ZIAGYGMSSA-N 1 0 367.415 3.694 10 0 FHAERO COC(=O)[C@]1(Nc2ccccc2)CC[N@H+](CCc2ccccc2)C[C@@H]1C ZINC000033605089 210245201 /nfs/dbraw/zinc/24/52/01/210245201.db2.gz ULCFSXQHBSJRKV-AVRDEDQJSA-N 1 0 352.478 3.595 10 0 FHAERO [NH3+]CC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 ZINC000034842731 210245222 /nfs/dbraw/zinc/24/52/22/210245222.db2.gz KXSZSKPVCVQKLP-SFHVURJKSA-N 1 0 354.841 3.550 10 0 FHAERO C[C@@H]1C[C@]2(C[C@@H](C[NH+](C3CCCCC3)C3CCCCC3)OC2=O)C(=O)O1 ZINC000017131307 210235479 /nfs/dbraw/zinc/23/54/79/210235479.db2.gz NEYOBFYBCKOYGK-YWMUFLPLSA-N 1 0 363.498 3.591 10 0 FHAERO C[C@H](O)C[NH+](Cc1nc(-c2ccccc2)c(-c2ccccc2)o1)C[C@H](C)O ZINC000003609109 210226451 /nfs/dbraw/zinc/22/64/51/210226451.db2.gz ZWAXWBOAVGGUPF-IRXDYDNUSA-N 1 0 366.461 3.572 10 0 FHAERO c1nn(-c2ccccc2)cc1CN1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000011706791 210101335 /nfs/dbraw/zinc/10/13/35/210101335.db2.gz MJYSPXOFTHIPOI-QHCPKHFHSA-N 1 0 364.537 3.960 10 0 FHAERO Brc1cccc(Br)c1OCC[C@@H]1CCC[NH2+]C1 ZINC000051920175 211906405 /nfs/dbraw/zinc/90/64/05/211906405.db2.gz LRLXASMFQLAKDK-JTQLQIEISA-N 1 0 363.093 3.980 10 0 FHAERO CCC[NH2+][C@H]1CCN(c2ccc(Br)cc2Br)C1 ZINC000049183862 211886525 /nfs/dbraw/zinc/88/65/25/211886525.db2.gz MFMCFKYGWFMNTR-NSHDSACASA-N 1 0 362.109 3.790 10 0 FHAERO Fc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccncc3)n2)cc1 ZINC000073684976 211690190 /nfs/dbraw/zinc/69/01/90/211690190.db2.gz XHHBTRMUDWWQIE-OAHLLOKOSA-N 1 0 363.440 3.756 10 0 FHAERO COc1ncccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012203766 211399708 /nfs/dbraw/zinc/39/97/08/211399708.db2.gz QCXFORACFSXRRZ-QFIPXVFZSA-N 1 0 371.525 3.599 10 0 FHAERO Fc1ccc(N[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000023338304 211383362 /nfs/dbraw/zinc/38/33/62/211383362.db2.gz WHRKLWKDJXXGDS-OAQYLSRUSA-N 1 0 368.500 3.762 10 0 FHAERO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)CC1=Cc2ccccc2OC1 ZINC000022931819 211371090 /nfs/dbraw/zinc/37/10/90/211371090.db2.gz LHDNLGTZSFQNFU-QFIPXVFZSA-N 1 0 363.505 3.844 10 0 FHAERO C[C@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc(Br)c1 ZINC000037984639 211332098 /nfs/dbraw/zinc/33/20/98/211332098.db2.gz CLOQFJLBSNLBQR-SWLSCSKDSA-N 1 0 370.312 3.739 10 0 FHAERO CC[C@@]([NH2+]C1CCCCCC1)(C(N)=O)c1ccc(Br)cc1 ZINC000037972282 211326997 /nfs/dbraw/zinc/32/69/97/211326997.db2.gz GWIPPPWQHVDDMF-KRWDZBQOSA-N 1 0 353.304 3.852 10 0 FHAERO C[C@@H](OC[C@@H](O)C[NH2+]Cc1ccc(Br)s1)c1ccccc1 ZINC000037984838 211338603 /nfs/dbraw/zinc/33/86/03/211338603.db2.gz DMBVYBMAVKENPK-OCCSQVGLSA-N 1 0 370.312 3.739 10 0 FHAERO CCc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)s2)c1 ZINC000037984954 211337662 /nfs/dbraw/zinc/33/76/62/211337662.db2.gz SDNMNZYKTBENSU-ZDUSSCGKSA-N 1 0 370.312 3.603 10 0 FHAERO C[C@H](OC[C@H](O)C[NH2+]Cc1ccc(Br)s1)c1ccccc1 ZINC000037984835 211337706 /nfs/dbraw/zinc/33/77/06/211337706.db2.gz DMBVYBMAVKENPK-GXTWGEPZSA-N 1 0 370.312 3.739 10 0 FHAERO C[C@@H](OC[C@H](O)C[NH2+]Cc1ccc(Br)s1)c1ccccc1 ZINC000037984836 211337407 /nfs/dbraw/zinc/33/74/07/211337407.db2.gz DMBVYBMAVKENPK-TZMCWYRMSA-N 1 0 370.312 3.739 10 0 FHAERO CCOc1ccc([C@H]([NH3+])c2ccc(I)cc2)cc1 ZINC000020480412 211283436 /nfs/dbraw/zinc/28/34/36/211283436.db2.gz QDNWCJWKLHOYAC-OAHLLOKOSA-N 1 0 353.203 3.738 10 0 FHAERO O=C1N(Cc2ccc(F)cc2)CCC[C@@]12CC[N@@H+](C1CCSCC1)C2 ZINC000014981680 211111475 /nfs/dbraw/zinc/11/14/75/211111475.db2.gz AWQONWCNFDTDER-FQEVSTJZSA-N 1 0 362.514 3.536 10 0 FHAERO CCn1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)c(C)n1 ZINC000014955411 211106401 /nfs/dbraw/zinc/10/64/01/211106401.db2.gz VYUZINRSTTXXEI-OAQYLSRUSA-N 1 0 368.569 3.906 10 0 FHAERO CCOc1cc(CNCCC[NH+](CC)CC)cc(Br)c1OC ZINC000013734387 211056935 /nfs/dbraw/zinc/05/69/35/211056935.db2.gz KZVCDEWEQHOHGK-UHFFFAOYSA-N 1 0 373.335 3.678 10 0 FHAERO Cc1cc(C[N@H+](CCO)Cc2cccnc2)c(C)n1CCc1ccccc1 ZINC000013569656 211041391 /nfs/dbraw/zinc/04/13/91/211041391.db2.gz PRUISMAGAJXLHY-UHFFFAOYSA-N 1 0 363.505 3.737 10 0 FHAERO CC(C)[NH2+]Cc1ccnc(Oc2cccc(I)c2)c1 ZINC000051570596 221036096 /nfs/dbraw/zinc/03/60/96/221036096.db2.gz RHEMGACMOOWQHF-UHFFFAOYSA-N 1 0 368.218 3.977 10 0 FHAERO CC(C)[C@@H]1CN(C(=O)c2ccc3cccc(F)c3n2)CCC[N@@H+]1CC1CC1 ZINC000071613686 221351384 /nfs/dbraw/zinc/35/13/84/221351384.db2.gz CHIGEYBBJPLZGG-FQEVSTJZSA-N 1 0 369.484 3.956 10 0 FHAERO CC[NH+]1CCN(c2cc(NC(=O)c3ccccc3Cl)c(N)cc2C)CC1 ZINC000226330998 132250505 /nfs/dbraw/zinc/25/05/05/132250505.db2.gz LZLWTELEXZYGPS-UHFFFAOYSA-N 1 0 372.900 3.625 10 0 FHAERO COc1ccc(/C=C/C[NH2+][C@H]2CCCN(Cc3cccc(OC)c3)C2)cc1 ZINC000020997656 523406072 /nfs/dbraw/zinc/40/60/72/523406072.db2.gz GTWNZSOZNIKIHE-XBGMYJNYSA-N 1 0 366.505 3.971 10 0 FHAERO Cc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)cc1 ZINC000073684744 525817833 /nfs/dbraw/zinc/81/78/33/525817833.db2.gz ZZJFWMMHRFXICF-QGZVFWFLSA-N 1 0 359.477 3.926 10 0 FHAERO Fc1ccccc1-c1nc(NCC2CC[NH2+]CC2)cc(-c2ccccn2)n1 ZINC000073684315 526406541 /nfs/dbraw/zinc/40/65/41/526406541.db2.gz XIRFXCBAGGJEEJ-UHFFFAOYSA-N 1 0 363.440 3.756 10 0 FHAERO O=c1cc(COc2ccccc2)nc(-c2ccc(C[NH+]3CCCC3)cc2)[nH]1 ZINC000020386998 527481471 /nfs/dbraw/zinc/48/14/71/527481471.db2.gz OAWHDEVSUUGERY-UHFFFAOYSA-N 1 0 361.445 3.612 10 0 FHAERO COc1ccc(-c2nc(-c3ccccc3)cc(N3CCC(C[NH3+])CC3)n2)cc1 ZINC000073684559 536504976 /nfs/dbraw/zinc/50/49/76/536504976.db2.gz IMDOENJDJVJIMX-UHFFFAOYSA-N 1 0 374.488 3.994 10 0 FHAERO CC(C(=O)OC1CC2CCC(C1)[NH+]2C)c1ccc(Br)cc1 ZINC000002568232 560188057 /nfs/dbraw/zinc/18/80/57/560188057.db2.gz GHDWIFTUSXQYGK-YGOACVGDSA-N 1 0 352.272 3.721 10 0 in-vitro FHAERO CCC[C@@H](C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)[NH+](C)C ZINC000161751913 567965831 /nfs/dbraw/zinc/96/58/31/567965831.db2.gz WKPZEGHTZLLXMM-RYUDHWBXSA-N 1 0 363.449 3.598 10 0 FHAERO CSCc1cccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000186848541 567992194 /nfs/dbraw/zinc/99/21/94/567992194.db2.gz OYZFAAJIQTWNOY-LJQANCHMSA-N 1 0 357.523 3.652 10 0 FHAERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c(OC)c1 ZINC000121323623 568050908 /nfs/dbraw/zinc/05/09/08/568050908.db2.gz JBTOKYMLEOUICD-ZIAGYGMSSA-N 1 0 363.479 3.519 10 0 FHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000121519993 568088914 /nfs/dbraw/zinc/08/89/14/568088914.db2.gz JDVFWHCWYMIXLR-MNOVXSKESA-N 1 0 356.850 3.538 10 0 FHAERO O=C(NC[C@@H]1[NH2+]CCC[C@H]1F)OCC1c2ccccc2-c2ccccc21 ZINC000725245912 570448025 /nfs/dbraw/zinc/44/80/25/570448025.db2.gz MVFPPHWUSOLCOQ-UXHICEINSA-N 1 0 354.425 3.615 10 0 FHAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@@H](CO)CC[NH2+]C1CCCCC1 ZINC000725266722 570539993 /nfs/dbraw/zinc/53/99/93/570539993.db2.gz ACKSHTAXUCPVGC-ZHALLVOQSA-N 1 0 368.562 3.800 10 0 FHAERO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](C(C)C)C3)cc1OC ZINC000012039443 570888599 /nfs/dbraw/zinc/88/85/99/570888599.db2.gz UWIJNTICAXRIHE-UHFFFAOYSA-N 1 0 357.450 3.982 10 0 FHAERO c1csc(CN(Cc2ccc3ncccc3c2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261794911 571024773 /nfs/dbraw/zinc/02/47/73/571024773.db2.gz QTZIGBNBYQTUDU-IBGZPJMESA-N 1 0 364.518 3.836 10 0 FHAERO CC(C)CC[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)COCc1ccco1 ZINC000036099801 571241530 /nfs/dbraw/zinc/24/15/30/571241530.db2.gz JXSPVRLFWNPIDJ-GOSISDBHSA-N 1 0 367.436 3.984 10 0 FHAERO CCOc1ccc(-c2cc(C(=O)NCC[NH+](C)C)c3ccccc3n2)cc1 ZINC000003045021 571265039 /nfs/dbraw/zinc/26/50/39/571265039.db2.gz AGDRTUUKFODBLL-UHFFFAOYSA-N 1 0 363.461 3.592 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2cccc(Br)c2F)C1 ZINC000675055486 571271232 /nfs/dbraw/zinc/27/12/32/571271232.db2.gz UBKQYCFWJRZLKN-GWCFXTLKSA-N 1 0 373.266 3.906 10 0 FHAERO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000328603778 571283416 /nfs/dbraw/zinc/28/34/16/571283416.db2.gz HEYRLMLEOLIQDE-AWEZNQCLSA-N 1 0 368.506 3.706 10 0 FHAERO C[NH+]1CCC(n2ncc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1 ZINC000028394940 210242111 /nfs/dbraw/zinc/24/21/11/210242111.db2.gz UFYXGIYTVOXGRK-UHFFFAOYSA-N 1 0 352.413 3.694 10 0 FHAERO O=C1CC2(CCCC2)CC(=O)N1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013560161 210233093 /nfs/dbraw/zinc/23/30/93/210233093.db2.gz YQHUEAFWSKZKDZ-UHFFFAOYSA-N 1 0 354.494 3.575 10 0 FHAERO COc1ccc(C[C@H](C(=O)OC[C@@H]2CCC[N@@H+]2C)c2ccccc2)cc1 ZINC000003621438 210228422 /nfs/dbraw/zinc/22/84/22/210228422.db2.gz CLHJDBNCSWNIHX-FPOVZHCZSA-N 1 0 353.462 3.659 10 0 FHAERO CCOC(=O)C1=CC2=C3[C@H]4N1c1ccccc1[C@]4(CC)CC[N@@H+]3CCC2 ZINC000334163020 210163415 /nfs/dbraw/zinc/16/34/15/210163415.db2.gz UOGHMAVLVKHQAS-IRLDBZIGSA-N 1 0 350.462 3.737 10 0 FHAERO C[NH+]1CCC(CNc2ccc(Br)cc2Br)CC1 ZINC000054241089 211925810 /nfs/dbraw/zinc/92/58/10/211925810.db2.gz BMRAATLFHQCSEM-UHFFFAOYSA-N 1 0 362.109 3.965 10 0 FHAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1cc(Br)cn1 ZINC000042956088 211785414 /nfs/dbraw/zinc/78/54/14/211785414.db2.gz QANXZNSHKJNTKZ-QWHCGFSZSA-N 1 0 373.092 3.735 10 0 FHAERO Cc1c(=O)[nH]c(-c2ccc(C[NH+]3CCSCC3)cc2)nc1C(F)(F)F ZINC000020774725 211295433 /nfs/dbraw/zinc/29/54/33/211295433.db2.gz RWFBLQNKLRGHTJ-UHFFFAOYSA-N 1 0 369.412 3.725 10 0 FHAERO Cc1cccc(-n2cc(CN3CC[NH+](C)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000019337131 211216624 /nfs/dbraw/zinc/21/66/24/211216624.db2.gz AYCGXNSFTTXQAF-UHFFFAOYSA-N 1 0 364.468 3.734 10 0 FHAERO Oc1cccc(C[NH+]2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)c1 ZINC000019111239 211201322 /nfs/dbraw/zinc/20/13/22/211201322.db2.gz GODZXQOCXXZKFQ-UHFFFAOYSA-N 1 0 364.445 3.617 10 0 FHAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCc3ccccc32)s1 ZINC000015732265 211138713 /nfs/dbraw/zinc/13/87/13/211138713.db2.gz KXVPDEPIDJMSFD-INIZCTEOSA-N 1 0 355.507 3.656 10 0 FHAERO O[C@@H]1CN(Cc2ccccc2OC2CCCC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000015066083 211117588 /nfs/dbraw/zinc/11/75/88/211117588.db2.gz FOEOJSLSMDNCDU-FGZHOGPDSA-N 1 0 372.553 3.819 10 0 FHAERO CC(C)(C)[NH2+]C[C@H](O)c1cc(Br)c(Br)s1 ZINC000033829496 220752018 /nfs/dbraw/zinc/75/20/18/220752018.db2.gz GZUSIFUBQTZVSL-ZETCQYMHSA-N 1 0 357.111 3.695 10 0 FHAERO C[C@H]([NH3+])[C@@H](Oc1cccc(I)c1)c1ccc(F)cc1 ZINC000042942378 220943652 /nfs/dbraw/zinc/94/36/52/220943652.db2.gz TVXNNEMWACYOJS-ZUZCIYMTSA-N 1 0 371.193 3.898 10 0 FHAERO C[C@H]([NH3+])[C@@H](Oc1ccc(I)cc1)c1ccccc1F ZINC000043048426 220944815 /nfs/dbraw/zinc/94/48/15/220944815.db2.gz CPPZUBFOVRPNBR-ZUZCIYMTSA-N 1 0 371.193 3.898 10 0 FHAERO CCOCCC[NH2+]C[C@@H](C)Oc1ccc(Br)cc1Cl ZINC000053585922 221046743 /nfs/dbraw/zinc/04/67/43/221046743.db2.gz MFSGBHTUWQUSSK-LLVKDONJSA-N 1 0 350.684 3.886 10 0 FHAERO Oc1cccc(-c2cc([C@H]3CC[N@H+](Cc4ccc5nonc5c4)C3)ccn2)c1 ZINC000065383066 221207114 /nfs/dbraw/zinc/20/71/14/221207114.db2.gz HTBSMRJIBGXKLZ-SFHVURJKSA-N 1 0 372.428 3.980 10 0 FHAERO c1nc2cc(-c3noc(-c4ccncc4)n3)ccc2n1CC[NH+]1CCCCC1 ZINC000065255076 221188642 /nfs/dbraw/zinc/18/86/42/221188642.db2.gz UWHRMEXKZZSQMJ-UHFFFAOYSA-N 1 0 374.448 3.634 10 0 FHAERO C[N@@H+]1CC[C@H](Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1 ZINC000071329467 221343937 /nfs/dbraw/zinc/34/39/37/221343937.db2.gz OIZYYUJMNZAXNN-INIZCTEOSA-N 1 0 367.880 3.592 10 0 FHAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000071972332 221391589 /nfs/dbraw/zinc/39/15/89/221391589.db2.gz LDOKKZCMACUSRU-SECBINFHSA-N 1 0 373.733 3.655 10 0 FHAERO Clc1ccccc1C[NH2+]C[C@H]1Cn2cc(-c3ccccc3)nc2CO1 ZINC000096112886 222030930 /nfs/dbraw/zinc/03/09/30/222030930.db2.gz AQNVEMUTTHQXAQ-KRWDZBQOSA-N 1 0 353.853 3.892 10 0 FHAERO CCc1ccc(OCC(=O)Nc2ccccc2OCC[NH+](CC)CC)cc1 ZINC000105667414 222373842 /nfs/dbraw/zinc/37/38/42/222373842.db2.gz XQANKBKEFOQWLN-UHFFFAOYSA-N 1 0 370.493 3.987 10 0 FHAERO CCOc1cccc([C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000120279088 222518441 /nfs/dbraw/zinc/51/84/41/222518441.db2.gz OQDPODIRTKZTQX-UZLBHIALSA-N 1 0 355.482 3.748 10 0 FHAERO C[N@H+](Cc1[nH]nc2c1CCCCC2)C[C@]1(c2cccc(F)c2)CCOC1 ZINC000020820797 523542423 /nfs/dbraw/zinc/54/24/23/523542423.db2.gz CXFAIQCDFNHYBB-OAQYLSRUSA-N 1 0 357.473 3.608 10 0 FHAERO Cc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3cccnc3)n2)cc1 ZINC000073684274 525817713 /nfs/dbraw/zinc/81/77/13/525817713.db2.gz ABBCIXLXXXYKEZ-UHFFFAOYSA-N 1 0 359.477 3.926 10 0 FHAERO O=C(NC[C@H]1[NH2+]CCC[C@@H]1F)OCC1c2ccccc2-c2ccccc21 ZINC000725245914 570448034 /nfs/dbraw/zinc/44/80/34/570448034.db2.gz MVFPPHWUSOLCOQ-VQTJNVASSA-N 1 0 354.425 3.615 10 0 FHAERO CCOC(=O)C1(c2ccccc2)CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000011616841 570704214 /nfs/dbraw/zinc/70/42/14/570704214.db2.gz IPOPQVVNCFQFRK-OAQYLSRUSA-N 1 0 367.489 3.707 10 0 in-man FHAERO CC[C@@H](C)[NH2+]Cc1nc(Br)c(Br)n1C(C)C ZINC000584881906 570987368 /nfs/dbraw/zinc/98/73/68/570987368.db2.gz SQIDIVIMSAVVCD-MRVPVSSYSA-N 1 0 353.102 3.877 10 0 FHAERO CCC(CC)[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000584881595 570988212 /nfs/dbraw/zinc/98/82/12/570988212.db2.gz MNJJQPINQFWWNV-UHFFFAOYSA-N 1 0 353.102 3.706 10 0 FHAERO CCSCC[N@H+](Cc1cc(C)n(-n2cnnc2)c1C)C1CCCCC1 ZINC000055198644 571117537 /nfs/dbraw/zinc/11/75/37/571117537.db2.gz ZVFBRIIAYLGWEI-UHFFFAOYSA-N 1 0 361.559 3.896 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1cccc(Br)c1F ZINC000675052525 571121051 /nfs/dbraw/zinc/12/10/51/571121051.db2.gz AUJKAOMXNVDIEV-GXFFZTMASA-N 1 0 373.266 3.988 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2ccccc2Br)C1 ZINC000675053106 571148640 /nfs/dbraw/zinc/14/86/40/571148640.db2.gz FVGZJEAWNMYWJI-SMDDNHRTSA-N 1 0 355.276 3.767 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000675053095 571148690 /nfs/dbraw/zinc/14/86/90/571148690.db2.gz FSIVBONSQAWOGB-KBPBESRZSA-N 1 0 355.276 3.848 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2cc(F)cc(Br)c2)C1 ZINC000675054403 571158216 /nfs/dbraw/zinc/15/82/16/571158216.db2.gz NGDXQKSNNFWAFH-UONOGXRCSA-N 1 0 373.266 3.906 10 0 FHAERO CCCn1cnnc1[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000075552492 571199984 /nfs/dbraw/zinc/19/99/84/571199984.db2.gz YREMPRUOVLOMPT-CQSZACIVSA-N 1 0 356.499 3.519 10 0 FHAERO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036095524 571241076 /nfs/dbraw/zinc/24/10/76/571241076.db2.gz LRVBBFMBBYKQCE-RTWAWAEBSA-N 1 0 373.468 3.555 10 0 FHAERO COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COCC(C)C)c1OC ZINC000036097294 571241139 /nfs/dbraw/zinc/24/11/39/571241139.db2.gz KQCSGAGDTPGJSH-IBGZPJMESA-N 1 0 367.530 3.585 10 0 FHAERO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036095526 571241161 /nfs/dbraw/zinc/24/11/61/571241161.db2.gz LRVBBFMBBYKQCE-SFTDATJTSA-N 1 0 373.468 3.555 10 0 FHAERO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COC(C)C)cc1 ZINC000036101907 571241974 /nfs/dbraw/zinc/24/19/74/571241974.db2.gz JJOZDZWSUOYWLN-FQEVSTJZSA-N 1 0 371.477 3.512 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2cccc(Br)c2F)C1 ZINC000675055490 571271260 /nfs/dbraw/zinc/27/12/60/571271260.db2.gz UBKQYCFWJRZLKN-ZWNOBZJWSA-N 1 0 373.266 3.906 10 0 FHAERO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000328603779 571323866 /nfs/dbraw/zinc/32/38/66/571323866.db2.gz HEYRLMLEOLIQDE-CQSZACIVSA-N 1 0 368.506 3.706 10 0 FHAERO c1c2ccccc2sc1CN(Cc1cncnc1)[C@H]1CCC[NH2+]CC1 ZINC000328626021 571324818 /nfs/dbraw/zinc/32/48/18/571324818.db2.gz DSFHHONHVDWVJG-SFHVURJKSA-N 1 0 352.507 3.836 10 0 FHAERO CN(Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc(C(N)=O)c1)CC2 ZINC000328628061 571325007 /nfs/dbraw/zinc/32/50/07/571325007.db2.gz GWWZVBLGCKIXEL-KRWDZBQOSA-N 1 0 370.522 3.513 10 0 FHAERO C[NH+](C)C1(CNC(=O)c2cccnc2Nc2cccc(F)c2)CCCC1 ZINC000056530348 571341046 /nfs/dbraw/zinc/34/10/46/571341046.db2.gz VWUYRGUMJONVHB-UHFFFAOYSA-N 1 0 356.445 3.569 10 0 FHAERO Fc1ccc(-c2cc(NCCN3CCOCC3)c3ccccc3[nH+]2)cc1 ZINC000028640692 210243366 /nfs/dbraw/zinc/24/33/66/210243366.db2.gz OELSFFVZHIUWRL-UHFFFAOYSA-N 1 0 351.425 3.785 10 0 FHAERO C[NH+](C)[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccccc1 ZINC000007982557 210152505 /nfs/dbraw/zinc/15/25/05/210152505.db2.gz PATJUTXHKWJOPU-SFHVURJKSA-N 1 0 368.868 3.601 10 0 FHAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1I)c1ccccc1 ZINC000042904167 211783969 /nfs/dbraw/zinc/78/39/69/211783969.db2.gz KECAYLKGKOBTLU-ABAIWWIYSA-N 1 0 353.203 3.759 10 0 FHAERO C[C@@H](C[NH2+][C@@H]1CCOc2ccc(Br)cc21)N1CCCCC1 ZINC000038029112 211359516 /nfs/dbraw/zinc/35/95/16/211359516.db2.gz CJZPXCKWUWCOIG-XJKSGUPXSA-N 1 0 353.304 3.737 10 0 FHAERO CCOc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000022931724 211372130 /nfs/dbraw/zinc/37/21/30/211372130.db2.gz YEBBARHXRWYSQZ-NRFANRHFSA-N 1 0 353.510 3.967 10 0 FHAERO COc1ccc([C@@H](C[NH3+])N(C)Cc2cccs2)cc1Br ZINC000038052133 211367561 /nfs/dbraw/zinc/36/75/61/211367561.db2.gz JJXBEQYZRQEVMI-CQSZACIVSA-N 1 0 355.301 3.651 10 0 FHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)N1CCCCCC1 ZINC000037984439 211333118 /nfs/dbraw/zinc/33/31/18/211333118.db2.gz QXHKRNQVLWLBCO-UONOGXRCSA-N 1 0 353.304 3.891 10 0 FHAERO CCOc1ccc([C@H]([NH3+])c2ccccc2I)cc1 ZINC000019967507 211264407 /nfs/dbraw/zinc/26/44/07/211264407.db2.gz CVUCLBIJYLABCQ-HNNXBMFYSA-N 1 0 353.203 3.738 10 0 FHAERO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)no1 ZINC000014981470 211110042 /nfs/dbraw/zinc/11/00/42/211110042.db2.gz GJCKATIIJXTPSC-IBGZPJMESA-N 1 0 355.482 3.576 10 0 FHAERO CCCC[N@H+](C)[C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014753529 211100605 /nfs/dbraw/zinc/10/06/05/211100605.db2.gz GRFFGRVOYOQKAD-GOSISDBHSA-N 1 0 374.573 3.754 10 0 FHAERO CCC[N@H+](C/C=C/I)[C@H]1CCc2cc(O)ccc2C1 ZINC000013739886 211056320 /nfs/dbraw/zinc/05/63/20/211056320.db2.gz AQKFTLWWZGTUKW-GZTQLTBSSA-N 1 0 371.262 3.910 10 0 FHAERO C[C@@H]1Cc2cc([C@H]([NH3+])c3ccccc3I)ccc2O1 ZINC000037176392 211038428 /nfs/dbraw/zinc/03/84/28/211038428.db2.gz LKVOHMCZGISBMI-HWPZZCPQSA-N 1 0 365.214 3.663 10 0 FHAERO C[NH2+][C@H](c1ccc2c(c1)COC2)c1cccc(I)c1 ZINC000062332986 221140990 /nfs/dbraw/zinc/14/09/90/221140990.db2.gz CUIOQBSYMLRTBL-INIZCTEOSA-N 1 0 365.214 3.630 10 0 FHAERO Oc1cccc(-c2cc([C@@H]3CC[N@H+](Cc4ccc5nonc5c4)C3)ccn2)c1 ZINC000065383064 221207606 /nfs/dbraw/zinc/20/76/06/221207606.db2.gz HTBSMRJIBGXKLZ-GOSISDBHSA-N 1 0 372.428 3.980 10 0 FHAERO C[NH+](C)CCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O ZINC000071318815 221343137 /nfs/dbraw/zinc/34/31/37/221343137.db2.gz SAKVKDBLCRHLAV-UHFFFAOYSA-N 1 0 355.869 3.592 10 0 FHAERO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)c(N)cc2C)CC1 ZINC000226331062 132250405 /nfs/dbraw/zinc/25/04/05/132250405.db2.gz FMFRKZRNKDXTDC-UHFFFAOYSA-N 1 0 372.900 3.625 10 0 FHAERO Cc1ccc(-c2nc(-c3cccnc3)cc(N3CCC(C[NH3+])CC3)n2)cc1 ZINC000073684516 132376999 /nfs/dbraw/zinc/37/69/99/132376999.db2.gz BJEDPOSSWZSAOO-UHFFFAOYSA-N 1 0 359.477 3.689 10 0 FHAERO [NH3+]CC1CCN(c2cc(-c3ccccn3)nc(-c3ccccc3F)n2)CC1 ZINC000073684551 132377026 /nfs/dbraw/zinc/37/70/26/132377026.db2.gz GFMZAJKSUDRDAX-UHFFFAOYSA-N 1 0 363.440 3.520 10 0 FHAERO Nc1ncc(-c2cnn(C3CC[NH2+]CC3)c2)c2cc(-c3ccccc3)oc21 ZINC000096274091 222108795 /nfs/dbraw/zinc/10/87/95/222108795.db2.gz KYXXOKOHWQXGAO-UHFFFAOYSA-N 1 0 359.433 3.865 10 0 FHAERO COc1ccc(CN[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c(F)c1 ZINC000019840197 524091775 /nfs/dbraw/zinc/09/17/75/524091775.db2.gz QQPBOJWXMOJLHU-IBGZPJMESA-N 1 0 354.469 3.556 10 0 FHAERO Fc1cc(Br)ccc1CSc1nnc([C@H]2CCC[NH2+]2)o1 ZINC000040173879 526295534 /nfs/dbraw/zinc/29/55/34/526295534.db2.gz BWSDVAQWKTYBRS-LLVKDONJSA-N 1 0 358.236 3.688 10 0 FHAERO Cc1nc(C)c(C[NH+]2CCC3(C[C@@H]3N(C)Cc3nccs3)CC2)s1 ZINC000275767386 526716509 /nfs/dbraw/zinc/71/65/09/526716509.db2.gz RCTKXYUBFGNLQC-INIZCTEOSA-N 1 0 362.568 3.703 10 0 FHAERO CCOCCN1CC[N@H+](CCCOc2cccc3ccccc32)C[C@@H]1C ZINC000106110504 568600114 /nfs/dbraw/zinc/60/01/14/568600114.db2.gz JNPVNKMHPAQLGD-IBGZPJMESA-N 1 0 356.510 3.651 10 0 FHAERO CC(C)C1=C[C@@](O)(C(F)(F)F)N(c2nc(-c3ccccn3)cs2)[NH2+]1 ZINC000001415176 570499176 /nfs/dbraw/zinc/49/91/76/570499176.db2.gz RCYOLFYVSZJGNR-CQSZACIVSA-N 1 0 356.373 3.678 10 0 FHAERO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccccc2)o1 ZINC000583615069 570807773 /nfs/dbraw/zinc/80/77/73/570807773.db2.gz WPSJJOYJDQVMOP-DYXWJJEUSA-N 1 0 357.450 3.824 10 0 FHAERO CCOc1cccc(C[N@@H+]2CC[C@@H](c3nc4cccnc4n3CC)C2)c1 ZINC000065285347 570872692 /nfs/dbraw/zinc/87/26/92/570872692.db2.gz IASXNBQFLUZTHU-QGZVFWFLSA-N 1 0 350.466 3.839 10 0 FHAERO c1cnn(-c2cccc(-c3c(-c4ccccc4)ncn3[C@@H]3CC[NH2+]C3)c2)c1 ZINC000065374694 571142066 /nfs/dbraw/zinc/14/20/66/571142066.db2.gz XCGHMQRYGMZDLQ-HXUWFJFHSA-N 1 0 355.445 3.937 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2ccc(Br)cc2)C1 ZINC000675053164 571149226 /nfs/dbraw/zinc/14/92/26/571149226.db2.gz GYYNSSJQZLQWMN-KBPBESRZSA-N 1 0 355.276 3.767 10 0 FHAERO COCCC[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COc1ccccc1 ZINC000036097380 571241157 /nfs/dbraw/zinc/24/11/57/571241157.db2.gz VCFQTQCSVGTPSW-OAQYLSRUSA-N 1 0 357.494 3.582 10 0 FHAERO CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH+](Cc1cccnc1C)CC2 ZINC000548349699 571272350 /nfs/dbraw/zinc/27/23/50/571272350.db2.gz RFUABDABIMBUII-HXUWFJFHSA-N 1 0 369.534 3.855 10 0 FHAERO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328631716 571325279 /nfs/dbraw/zinc/32/52/79/571325279.db2.gz KUDNNPKBUHZFMT-GFCCVEGCSA-N 1 0 369.435 3.617 10 0 FHAERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cc(Br)c(Br)o1 ZINC000063192020 212031487 /nfs/dbraw/zinc/03/14/87/212031487.db2.gz NBFFWRHUVHYRNG-LDYMZIIASA-N 1 0 366.097 3.506 10 0 FHAERO Cc1cccc([C@H](C[NH3+])Oc2ccc(I)cc2)c1 ZINC000042969106 211784895 /nfs/dbraw/zinc/78/48/95/211784895.db2.gz DLPQXUQJQSSZBZ-HNNXBMFYSA-N 1 0 353.203 3.678 10 0 FHAERO CC(C)(C)NNc1[nH+]cnc(NN(c2ccccc2)c2ccccc2)c1N ZINC000040777916 211759953 /nfs/dbraw/zinc/75/99/53/211759953.db2.gz OHDZFRMAFRTFMB-UHFFFAOYSA-N 1 0 363.469 3.939 10 0 FHAERO Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(NC2CC[NH2+]CC2)c1C ZINC000073662985 211689325 /nfs/dbraw/zinc/68/93/25/211689325.db2.gz IOZUBFIZMZQQOO-UHFFFAOYSA-N 1 0 350.388 3.943 10 0 FHAERO C[C@@H](C[NH2+][C@H]1CCOc2ccc(Br)cc21)N1CCCCC1 ZINC000038029114 211358252 /nfs/dbraw/zinc/35/82/52/211358252.db2.gz CJZPXCKWUWCOIG-BBRMVZONSA-N 1 0 353.304 3.737 10 0 FHAERO [NH3+][C@@H](c1ccc(I)cc1)c1c(F)cc(F)cc1F ZINC000020480485 211283011 /nfs/dbraw/zinc/28/30/11/211283011.db2.gz QMZHEMWGIDOSTJ-ZDUSSCGKSA-N 1 0 363.120 3.757 10 0 FHAERO [NH3+][C@H](c1ccccc1I)c1c(F)cc(F)cc1F ZINC000019971826 211263777 /nfs/dbraw/zinc/26/37/77/211263777.db2.gz OLCJADFVTINEEY-CYBMUJFWSA-N 1 0 363.120 3.757 10 0 FHAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCc3ccccc32)s1 ZINC000015732264 211139990 /nfs/dbraw/zinc/13/99/90/211139990.db2.gz KXVPDEPIDJMSFD-MRXNPFEDSA-N 1 0 355.507 3.656 10 0 FHAERO C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(I)cc1 ZINC000037319558 211124813 /nfs/dbraw/zinc/12/48/13/211124813.db2.gz YQRJPGQPVAFUBS-UONOGXRCSA-N 1 0 372.294 3.816 10 0 FHAERO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)no1 ZINC000014981469 211110606 /nfs/dbraw/zinc/11/06/06/211110606.db2.gz GJCKATIIJXTPSC-LJQANCHMSA-N 1 0 355.482 3.576 10 0 FHAERO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH+]1CCCCC1)CC2 ZINC000014745885 211099736 /nfs/dbraw/zinc/09/97/36/211099736.db2.gz CBJBKAZLHWFAPH-SFHVURJKSA-N 1 0 372.557 3.508 10 0 FHAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCCc2cn(C)c3ccccc23)C1 ZINC000006782684 210701194 /nfs/dbraw/zinc/70/11/94/210701194.db2.gz MHGDXUUJVSKSCK-KDURUIRLSA-N 1 0 369.553 3.985 10 0 FHAERO CCC(=O)N(c1ccccc1)[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1C ZINC000001850149 210373217 /nfs/dbraw/zinc/37/32/17/210373217.db2.gz FRPRNNRJTCONEC-BVYCBKJFSA-N 1 0 366.505 3.874 10 0 FHAERO CCCCOCCC[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000060816692 221132588 /nfs/dbraw/zinc/13/25/88/221132588.db2.gz HTBLXGSPNYCZEB-UHFFFAOYSA-N 1 0 360.292 3.763 10 0 FHAERO C[N@@H+]1CC[C@@H](Nc2cc(Cl)cc(Br)c2OC(F)F)C1 ZINC000061985472 221138127 /nfs/dbraw/zinc/13/81/27/221138127.db2.gz DKMNBPPEZGULEE-MRVPVSSYSA-N 1 0 355.610 3.820 10 0 FHAERO Cc1nc(C(F)(F)F)nc(-c2cc3c(c(Cl)c2)O[C@H](C[NH3+])C3)c1C ZINC000067881336 221299628 /nfs/dbraw/zinc/29/96/28/221299628.db2.gz HYTVIPYACJYRQI-NSHDSACASA-N 1 0 357.763 3.695 10 0 FHAERO [NH3+]C1CCN(c2cc(-c3ccncc3)nc(-c3cccc(Cl)c3)n2)CC1 ZINC000073663166 132376778 /nfs/dbraw/zinc/37/67/78/132376778.db2.gz YIGLQMBENGYPPE-UHFFFAOYSA-N 1 0 365.868 3.787 10 0 FHAERO O=C([C@H]1CCCN(c2cc[nH+]cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000033128832 136117438 /nfs/dbraw/zinc/11/74/38/136117438.db2.gz DFSMWNIIYBFJRG-NRFANRHFSA-N 1 0 363.505 3.779 10 0 FHAERO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCc4ccncc4)CO3)CC2)cc1 ZINC000096106823 222025140 /nfs/dbraw/zinc/02/51/40/222025140.db2.gz HNEQXDKYZMVTQV-OAQYLSRUSA-N 1 0 352.478 3.730 10 0 FHAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)C2 ZINC000100243900 222239278 /nfs/dbraw/zinc/23/92/78/222239278.db2.gz KWPWPDLRHPHSLD-QKDCVEJESA-N 1 0 373.349 3.968 10 0 FHAERO C[C@@H]([NH3+])Cc1ccccc1Oc1cccc(I)c1 ZINC000104297619 222354168 /nfs/dbraw/zinc/35/41/68/222354168.db2.gz NTRRQSPGRHZJJH-LLVKDONJSA-N 1 0 353.203 3.973 10 0 FHAERO CN(Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000275733765 523603422 /nfs/dbraw/zinc/60/34/22/523603422.db2.gz PFFRQIZSYVFTID-QGZVFWFLSA-N 1 0 363.477 3.908 10 0 FHAERO COc1cccc(CN2CCC[C@@H]([NH2+]Cc3csc(C(C)=O)c3)C2)c1 ZINC000020915226 525939726 /nfs/dbraw/zinc/93/97/26/525939726.db2.gz GPVVFRWZQSOUCD-GOSISDBHSA-N 1 0 358.507 3.714 10 0 FHAERO CCn1ccnc1CN1CCC([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000012299312 568103510 /nfs/dbraw/zinc/10/35/10/568103510.db2.gz VDFUTKYTJIBUNZ-JOCHJYFZSA-N 1 0 366.553 3.680 10 0 FHAERO CC[C@@H]1CN(CCCOc2cccc3ccccc32)CC[N@@H+]1CCOC ZINC000106113141 568645100 /nfs/dbraw/zinc/64/51/00/568645100.db2.gz XFWBUNXJZHGEKO-HXUWFJFHSA-N 1 0 356.510 3.651 10 0 FHAERO CC(=O)c1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(CC(C)(C)C)C3=O)c1 ZINC000011707666 570705565 /nfs/dbraw/zinc/70/55/65/570705565.db2.gz HBNLJALWUSEQBE-QFIPXVFZSA-N 1 0 356.510 3.750 10 0 FHAERO COC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1ccccc1C ZINC000004588695 570855417 /nfs/dbraw/zinc/85/54/17/570855417.db2.gz UTKUWTMZHFPCOV-QFIPXVFZSA-N 1 0 358.526 3.700 10 0 FHAERO CCOc1cccc(CN(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000261744559 571020474 /nfs/dbraw/zinc/02/04/74/571020474.db2.gz LCLVFQNFVYCVRI-GOSISDBHSA-N 1 0 357.523 3.686 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2ccccc2Br)C1 ZINC000675053105 571148648 /nfs/dbraw/zinc/14/86/48/571148648.db2.gz FVGZJEAWNMYWJI-RISCZKNCSA-N 1 0 355.276 3.767 10 0 FHAERO Cc1nc(C)c(C[N@H+](C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)s1 ZINC000328641131 571325826 /nfs/dbraw/zinc/32/58/26/571325826.db2.gz QJKJOALBXVMZAX-GFCCVEGCSA-N 1 0 358.433 3.670 10 0 FHAERO Cc1cccc(OCC[NH2+]CCC(=O)N2CCCSc3ccccc32)c1 ZINC000001541057 210228048 /nfs/dbraw/zinc/22/80/48/210228048.db2.gz ATNFIZJXWHROPO-UHFFFAOYSA-N 1 0 370.518 3.883 10 0 FHAERO C[C@@H](O)C[N@@H+](Cc1nc(-c2ccccc2)c(-c2ccccc2)o1)C[C@H](C)O ZINC000003609104 210226984 /nfs/dbraw/zinc/22/69/84/210226984.db2.gz ZWAXWBOAVGGUPF-CALCHBBNSA-N 1 0 366.461 3.572 10 0 FHAERO COc1ccc(C[C@@H]2[C@H](C)[C@@](C)(O)CC[N@@H+]2Cc2ccc(OC)cc2)cc1 ZINC000255993227 210216532 /nfs/dbraw/zinc/21/65/32/210216532.db2.gz OVASTZRUDMMZMN-IMRHEYAYSA-N 1 0 369.505 3.908 10 0 FHAERO COc1ccc(NC(=O)C2=CC[N@H+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000064818058 212045278 /nfs/dbraw/zinc/04/52/78/212045278.db2.gz DFSSUNSLVWBOGU-UHFFFAOYSA-N 1 0 354.425 3.914 10 0 FHAERO Fc1cccc(CN2CCC[C@@]3(CC[N@H+](CCCn4cccn4)C3)C2)c1F ZINC000012707072 220019824 /nfs/dbraw/zinc/01/98/24/220019824.db2.gz OEXYHYZGQJBFSB-NRFANRHFSA-N 1 0 374.479 3.540 10 0 FHAERO CC(C)(C)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Br)o1 ZINC000035843733 211644695 /nfs/dbraw/zinc/64/46/95/211644695.db2.gz PCWPWWFKJUYNAC-UHFFFAOYSA-N 1 0 371.319 3.903 10 0 FHAERO CCC(=O)N1C[C@H](C[NH+]2CCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034697864 211617792 /nfs/dbraw/zinc/61/77/92/211617792.db2.gz RZQIAUGPJPTWIE-DOTOQJQBSA-N 1 0 354.416 3.753 10 0 FHAERO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2csc(C(C)=O)c2)C1 ZINC000022914371 211368165 /nfs/dbraw/zinc/36/81/65/211368165.db2.gz PXIQJZZFGKALFH-IBGZPJMESA-N 1 0 357.523 3.832 10 0 FHAERO CC(C)CCCOC[C@H](O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000037984653 211334749 /nfs/dbraw/zinc/33/47/49/211334749.db2.gz IWDPSSPYSIOGKG-WMLDXEAASA-N 1 0 358.320 3.913 10 0 FHAERO C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)N1CCCCCC1 ZINC000037984437 211333182 /nfs/dbraw/zinc/33/31/82/211333182.db2.gz QXHKRNQVLWLBCO-KBPBESRZSA-N 1 0 353.304 3.891 10 0 FHAERO CC(C)C[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000037984626 211332623 /nfs/dbraw/zinc/33/26/23/211332623.db2.gz XPCGHIKUXRGVNQ-GRDNDAEWSA-N 1 0 358.320 3.912 10 0 FHAERO COc1cc2c(cc1OC)CN([C@H]1CCC[N@@H+](C3CCCCC3)C1)CC2 ZINC000020255808 211273077 /nfs/dbraw/zinc/27/30/77/211273077.db2.gz SKLRVGGAVZKTHI-FQEVSTJZSA-N 1 0 358.526 3.859 10 0 FHAERO COc1ccc(CN[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c(F)c1 ZINC000019840195 211256764 /nfs/dbraw/zinc/25/67/64/211256764.db2.gz QQPBOJWXMOJLHU-LJQANCHMSA-N 1 0 354.469 3.556 10 0 FHAERO C[N@H+](CCc1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2F)CC1 ZINC000014951498 211107435 /nfs/dbraw/zinc/10/74/35/211107435.db2.gz LMKUUDWLGVMWCZ-FQEVSTJZSA-N 1 0 354.469 3.881 10 0 FHAERO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cccc(O)c3)C2)cc1 ZINC000014955546 211106616 /nfs/dbraw/zinc/10/66/16/211106616.db2.gz VYUKPPUFBNSRDB-OAQYLSRUSA-N 1 0 368.521 3.787 10 0 FHAERO CCC[N@H+](C/C=C/I)[C@@H]1CCc2cc(O)ccc2C1 ZINC000013739885 211055575 /nfs/dbraw/zinc/05/55/75/211055575.db2.gz AQKFTLWWZGTUKW-WEJQMCOXSA-N 1 0 371.262 3.910 10 0 FHAERO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011661821 210888598 /nfs/dbraw/zinc/88/85/98/210888598.db2.gz UGDATPWHCXOVTE-UHFFFAOYSA-N 1 0 366.509 3.672 10 0 FHAERO CC[NH2+]Cc1ccc(COc2cccc(I)c2)cc1 ZINC000052696622 221039277 /nfs/dbraw/zinc/03/92/77/221039277.db2.gz SFJCHGNMGPALLI-UHFFFAOYSA-N 1 0 367.230 3.980 10 0 FHAERO C[N@@H+]1CC[C@H](Nc2cc(Cl)cc(Br)c2OC(F)F)C1 ZINC000061985469 221138310 /nfs/dbraw/zinc/13/83/10/221138310.db2.gz DKMNBPPEZGULEE-QMMMGPOBSA-N 1 0 355.610 3.820 10 0 FHAERO CC[N@@H+]1CCC[C@](C(=O)NCc2ccc(OC)cc2)(c2ccccc2)CC1 ZINC000065226054 221183042 /nfs/dbraw/zinc/18/30/42/221183042.db2.gz QXXDKIGWQUMRPH-HSZRJFAPSA-N 1 0 366.505 3.755 10 0 FHAERO Cc1ccc2[nH]c(=O)c(CCC(=O)NCC[N@@H+](C)C3CCCCC3)cc2c1 ZINC000065245493 221186331 /nfs/dbraw/zinc/18/63/31/221186331.db2.gz ADSHVIHHRJPNMS-UHFFFAOYSA-N 1 0 369.509 3.562 10 0 FHAERO CCNc1ncc(C[N@@H+]2CCC[C@]3(C=Cc4ccccc4O3)CC2)cn1 ZINC000065461639 221222176 /nfs/dbraw/zinc/22/21/76/221222176.db2.gz VRGRNCQQSHIVBV-NRFANRHFSA-N 1 0 350.466 3.739 10 0 FHAERO COc1ccc2c(c1)OCC(=[NH2+])N[C@H]2c1c[nH]nc1-c1cc(C)ccc1C ZINC000067713018 221274951 /nfs/dbraw/zinc/27/49/51/221274951.db2.gz NGSHQAQJSDMSPR-HXUWFJFHSA-N 1 0 362.433 3.541 10 0 FHAERO CCNc1ncc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccccc3)C2)cn1 ZINC000067880321 221300129 /nfs/dbraw/zinc/30/01/29/221300129.db2.gz OKZGCHRJFSGNMX-GOSISDBHSA-N 1 0 362.481 3.678 10 0 FHAERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000071973883 221391194 /nfs/dbraw/zinc/39/11/94/221391194.db2.gz MCIDCGUCZHPMJI-QWHCGFSZSA-N 1 0 359.297 3.609 10 0 FHAERO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21 ZINC000096052716 222003761 /nfs/dbraw/zinc/00/37/61/222003761.db2.gz NMBIBPULBPVKJQ-IBGZPJMESA-N 1 0 363.505 3.581 10 0 FHAERO O=C1CCC2(CCC([NH2+]Cc3cccs3)CC2)N1Cc1ccncc1 ZINC000096093518 222019787 /nfs/dbraw/zinc/01/97/87/222019787.db2.gz IWDICHMJHRKDIG-UHFFFAOYSA-N 1 0 355.507 3.737 10 0 FHAERO N[C@H]1[C@@H](C(=O)OCc2ccccc2)CN1C(c1ccccc1)c1ccccc1 ZINC000100283985 222240382 /nfs/dbraw/zinc/24/03/82/222240382.db2.gz DTELCEYOKMOYJA-JTHBVZDNSA-N 1 0 372.468 3.736 10 0 FHAERO N[C@H]1[C@H](C(=O)OCc2ccccc2)CN1C(c1ccccc1)c1ccccc1 ZINC000100283980 222240809 /nfs/dbraw/zinc/24/08/09/222240809.db2.gz DTELCEYOKMOYJA-FYYLOGMGSA-N 1 0 372.468 3.736 10 0 FHAERO CCC[C@H](C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)[NH+](C)C ZINC000161752016 567965835 /nfs/dbraw/zinc/96/58/35/567965835.db2.gz WKPZEGHTZLLXMM-NWDGAFQWSA-N 1 0 363.449 3.598 10 0 FHAERO O=C(N[C@H]1CCC[NH2+]C[C@@H]1F)OCC1c2ccccc2-c2ccccc21 ZINC000725262084 570526849 /nfs/dbraw/zinc/52/68/49/570526849.db2.gz UWSBXSGYRGPLDO-PMACEKPBSA-N 1 0 354.425 3.615 10 0 FHAERO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000583618779 570808244 /nfs/dbraw/zinc/80/82/44/570808244.db2.gz ITURVJFKKLWDJG-ONTIZHBOSA-N 1 0 359.510 3.760 10 0 FHAERO [NH3+][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000583619869 570808660 /nfs/dbraw/zinc/80/86/60/570808660.db2.gz TWXFERWVMNFHNZ-BONVTDFDSA-N 1 0 356.319 3.580 10 0 FHAERO c1cn(CCC[N@H+](Cc2ccncc2)Cc2ccc3ccccc3n2)cn1 ZINC000055131514 571116882 /nfs/dbraw/zinc/11/68/82/571116882.db2.gz NWCXPMQYMZTSNN-UHFFFAOYSA-N 1 0 357.461 3.919 10 0 FHAERO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NC4CC4)CC3)c(C)o2)cc1 ZINC000005043563 571271068 /nfs/dbraw/zinc/27/10/68/571271068.db2.gz VUDNEVMZXIIAQM-UHFFFAOYSA-N 1 0 367.493 3.703 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccc(Br)cc1F ZINC000675055411 571271231 /nfs/dbraw/zinc/27/12/31/571271231.db2.gz RXQAEGDWINIQQF-RISCZKNCSA-N 1 0 373.266 3.988 10 0 FHAERO c1c2ccccc2sc1CN(Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000328626020 571324840 /nfs/dbraw/zinc/32/48/40/571324840.db2.gz DSFHHONHVDWVJG-GOSISDBHSA-N 1 0 352.507 3.836 10 0 FHAERO Cc1cc(=O)[nH]c(-c2ccc(CN3CCCC[C@H]3c3nccs3)cc2)n1 ZINC000023505524 210158613 /nfs/dbraw/zinc/15/86/13/210158613.db2.gz GOBMGRGNVJZZMG-KRWDZBQOSA-N 1 0 366.490 3.929 10 0 FHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000190435517 210070170 /nfs/dbraw/zinc/07/01/70/210070170.db2.gz XOFPCNNIDWZDMU-PBASOCQRSA-N 1 0 374.573 3.756 10 0 FHAERO CC[C@H](C)NC(=O)C1CC[NH+](Cc2cn(CC)c3ccc(OC)cc23)CC1 ZINC000064669626 212042033 /nfs/dbraw/zinc/04/20/33/212042033.db2.gz DARDJDHGVMOGDQ-INIZCTEOSA-N 1 0 371.525 3.797 10 0 FHAERO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2cn(CC)c3ccc(OC)cc23)CC1 ZINC000064669624 212042299 /nfs/dbraw/zinc/04/22/99/212042299.db2.gz DARDJDHGVMOGDQ-MRXNPFEDSA-N 1 0 371.525 3.797 10 0 FHAERO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCN(c2ccc(-n3ccnc3)cc2)CC1 ZINC000063883430 212036221 /nfs/dbraw/zinc/03/62/21/212036221.db2.gz UNUIWWOXXVOYDQ-SFHVURJKSA-N 1 0 370.541 3.760 10 0 FHAERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)n1cc(Br)cn1 ZINC000043022200 211787417 /nfs/dbraw/zinc/78/74/17/211787417.db2.gz NVAVMOSBQIFZOJ-OLZOCXBDSA-N 1 0 373.092 3.735 10 0 FHAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)n1cc(Br)cn1 ZINC000042956094 211785148 /nfs/dbraw/zinc/78/51/48/211785148.db2.gz QANXZNSHKJNTKZ-STQMWFEESA-N 1 0 373.092 3.735 10 0 FHAERO CC[NH+](CC)CCC(=O)n1c(COc2ccccc2)nc2ccccc21 ZINC000039755595 211710338 /nfs/dbraw/zinc/71/03/38/211710338.db2.gz AJQKZEOABMUWLU-UHFFFAOYSA-N 1 0 351.450 3.987 10 0 FHAERO C[C@H](C[NH2+][C@H]1CCOc2ccc(Br)cc21)N1CCCCC1 ZINC000038029115 211359472 /nfs/dbraw/zinc/35/94/72/211359472.db2.gz CJZPXCKWUWCOIG-CJNGLKHVSA-N 1 0 353.304 3.737 10 0 FHAERO C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1cccc(Br)c1 ZINC000038012577 211348692 /nfs/dbraw/zinc/34/86/92/211348692.db2.gz IBGRXQYDGQNUAG-NSHDSACASA-N 1 0 351.219 3.878 10 0 FHAERO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(-c4ccccc4C)nc3c12 ZINC000021801507 211325803 /nfs/dbraw/zinc/32/58/03/211325803.db2.gz PLKSTVNPDAKPQA-UHFFFAOYSA-N 1 0 362.481 3.623 10 0 FHAERO COc1ccc([C@@H]([NH3+])c2ccccc2I)c(C)c1 ZINC000019972183 211262968 /nfs/dbraw/zinc/26/29/68/211262968.db2.gz ABXLVLYHNSSYQP-OAHLLOKOSA-N 1 0 353.203 3.656 10 0 FHAERO CCCC[N@H+](C)[C@@H]1CCc2c(c(C(=O)N3CCCCCC3)nn2CC)C1 ZINC000014746613 211100050 /nfs/dbraw/zinc/10/00/50/211100050.db2.gz ABQKRIIYEBGPPB-QGZVFWFLSA-N 1 0 360.546 3.508 10 0 FHAERO C[C@@H]1Cc2cc([C@H]([NH3+])c3ccc(I)cc3)ccc2O1 ZINC000037176313 211037258 /nfs/dbraw/zinc/03/72/58/211037258.db2.gz COJATPWBEAHDQY-QLJPJBMISA-N 1 0 365.214 3.663 10 0 FHAERO COCCc1ccc([C@H]([NH3+])c2ccccc2I)cc1 ZINC000019970930 220308280 /nfs/dbraw/zinc/30/82/80/220308280.db2.gz LHJKDAKJAAMCKI-INIZCTEOSA-N 1 0 367.230 3.528 10 0 FHAERO CC(C)[C@@H]1CN(C(=O)c2ccc3cccnc3c2O)CCC[N@@H+]1CC1CC1 ZINC000071738466 221356776 /nfs/dbraw/zinc/35/67/76/221356776.db2.gz VDAASFIKBHPDGE-IBGZPJMESA-N 1 0 367.493 3.523 10 0 FHAERO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C[NH+]1CCCCC1 ZINC000072013483 221395738 /nfs/dbraw/zinc/39/57/38/221395738.db2.gz ABRXTPFURDFOIZ-KBPBESRZSA-N 1 0 373.324 3.999 10 0 FHAERO CC[NH+]1CCN(c2ccc(-c3cc(=O)[nH]c4c3CCCCCC4)cc2)CC1 ZINC000211474907 132269467 /nfs/dbraw/zinc/26/94/67/132269467.db2.gz JSNJKRQHKPMYAM-UHFFFAOYSA-N 1 0 365.521 3.843 10 0 FHAERO [NH3+]C1CCN(c2cc(-c3ccccn3)nc(-c3cccc(Cl)c3)n2)CC1 ZINC000073663186 132376696 /nfs/dbraw/zinc/37/66/96/132376696.db2.gz DVNAFBUEROVIAB-UHFFFAOYSA-N 1 0 365.868 3.787 10 0 FHAERO COc1cccc(C[NH+]2CCN(c3ccc4cccc(OC)c4n3)CC2)c1 ZINC000032573477 132925356 /nfs/dbraw/zinc/92/53/56/132925356.db2.gz ZEAWBXDTSIWKIV-UHFFFAOYSA-N 1 0 363.461 3.574 10 0 FHAERO CCc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)o1 ZINC000023375157 136152850 /nfs/dbraw/zinc/15/28/50/136152850.db2.gz KNIQTHMELFIOET-FQEVSTJZSA-N 1 0 353.510 3.629 10 0 FHAERO COc1ccc(Cn2c3ccccc3nc2NC2CCC([NH3+])CC2)cc1 ZINC000095076320 221844808 /nfs/dbraw/zinc/84/48/08/221844808.db2.gz OMEBKOMLFYZKBJ-UHFFFAOYSA-N 1 0 350.466 3.775 10 0 FHAERO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21 ZINC000096052715 222003124 /nfs/dbraw/zinc/00/31/24/222003124.db2.gz NMBIBPULBPVKJQ-LJQANCHMSA-N 1 0 363.505 3.581 10 0 FHAERO C[N@@H+]1CCO[C@@]2(CCCN(Cc3ccc(Cl)c(C(F)(F)F)c3)C2)C1 ZINC000096268623 222106561 /nfs/dbraw/zinc/10/65/61/222106561.db2.gz BDSLFMBQUWOAPS-INIZCTEOSA-N 1 0 362.823 3.655 10 0 FHAERO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000105776377 222374914 /nfs/dbraw/zinc/37/49/14/222374914.db2.gz SGGGDZVCRCDTHO-UHFFFAOYSA-N 1 0 361.445 3.851 10 0 FHAERO CN(Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc(F)c1F)CC2 ZINC000275489774 523604908 /nfs/dbraw/zinc/60/49/08/523604908.db2.gz BMLWGJYWDALTJM-INIZCTEOSA-N 1 0 363.477 3.908 10 0 FHAERO c1cc(C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)n(-c2cccnc2)c1 ZINC000020914115 526429001 /nfs/dbraw/zinc/42/90/01/526429001.db2.gz YRFYAOSSUUNNJW-OAQYLSRUSA-N 1 0 372.516 3.594 10 0 FHAERO CCc1cc(N2CCC(C[NH3+])CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684623 536144818 /nfs/dbraw/zinc/14/48/18/536144818.db2.gz HLUIYDFTZHPBNK-UHFFFAOYSA-N 1 0 364.415 3.900 10 0 FHAERO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000008173606 568278717 /nfs/dbraw/zinc/27/87/17/568278717.db2.gz YFYPYUAWVAUFHN-ZDUSSCGKSA-N 1 0 360.841 3.724 10 0 FHAERO CCOCCN1CC[N@H+](CCCSc2ccccc2Cl)C[C@@H]1C ZINC000106110468 568600109 /nfs/dbraw/zinc/60/01/09/568600109.db2.gz LUUPDOYLAOMKDO-INIZCTEOSA-N 1 0 356.963 3.865 10 0 FHAERO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C2 ZINC000095352767 570452164 /nfs/dbraw/zinc/45/21/64/570452164.db2.gz VRHJXQLTPSXBFR-UKRRQHHQSA-N 1 0 371.403 3.923 10 0 FHAERO CCOCc1nc(-c2ccc(F)cc2Cl)n(C2CC[NH+](C)CC2)n1 ZINC000095498701 570462200 /nfs/dbraw/zinc/46/22/00/570462200.db2.gz UDSDSGXESSZBIK-UHFFFAOYSA-N 1 0 352.841 3.541 10 0 FHAERO COc1ccc(C[NH+]2CCC(N(C(C)=O)c3ccc(C)cc3)CC2)cc1O ZINC000034683282 570532133 /nfs/dbraw/zinc/53/21/33/570532133.db2.gz KUCLUUQTZJVRRR-UHFFFAOYSA-N 1 0 368.477 3.727 10 0 FHAERO CCC[C@@]1([NH+]2CCN(C(C)C)CC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265658 570539694 /nfs/dbraw/zinc/53/96/94/570539694.db2.gz RYBAQDXQOXVYNE-OAQYLSRUSA-N 1 0 367.578 3.972 10 0 FHAERO O=C(c1cscn1)N1CCC([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000011998768 570603695 /nfs/dbraw/zinc/60/36/95/570603695.db2.gz MSWOEKKGZFRIGA-LJQANCHMSA-N 1 0 369.534 3.560 10 0 FHAERO Cc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c2cccc(C)c2n1 ZINC000032961536 571068490 /nfs/dbraw/zinc/06/84/90/571068490.db2.gz BMEQJBHHRIQITC-UHFFFAOYSA-N 1 0 351.494 3.942 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccccc1Br ZINC000675052573 571120934 /nfs/dbraw/zinc/12/09/34/571120934.db2.gz BPJQNFGIHAFAAR-SMDDNHRTSA-N 1 0 355.276 3.848 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Br)cc1 ZINC000675053098 571148553 /nfs/dbraw/zinc/14/85/53/571148553.db2.gz FSIVBONSQAWOGB-ZIAGYGMSSA-N 1 0 355.276 3.848 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2cc(F)ccc2Br)C1 ZINC000675053980 571157959 /nfs/dbraw/zinc/15/79/59/571157959.db2.gz LAZQOYCUOZTBOZ-RISCZKNCSA-N 1 0 373.266 3.906 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2cc(F)ccc2Br)C1 ZINC000675053976 571158010 /nfs/dbraw/zinc/15/80/10/571158010.db2.gz LAZQOYCUOZTBOZ-FZMZJTMJSA-N 1 0 373.266 3.906 10 0 FHAERO Cc1nc2cc(C(=O)N3CCC([N@@H+]4CCc5ccccc5C4)CC3)ccc2[nH]1 ZINC000072429436 571195191 /nfs/dbraw/zinc/19/51/91/571195191.db2.gz NKCDTFFPWORMAJ-UHFFFAOYSA-N 1 0 374.488 3.534 10 0 FHAERO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2noc3c2CCCC3)cc1 ZINC000077358517 571208997 /nfs/dbraw/zinc/20/89/97/571208997.db2.gz LYIULNGUNUNTFX-IBGZPJMESA-N 1 0 367.493 3.982 10 0 FHAERO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COCC(C)C)c1 ZINC000036098272 571240965 /nfs/dbraw/zinc/24/09/65/571240965.db2.gz RWRRBGZRHNULRQ-OAQYLSRUSA-N 1 0 357.494 3.731 10 0 FHAERO CC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145862 571243456 /nfs/dbraw/zinc/24/34/56/571243456.db2.gz PUPIPBSVKMXEEU-PMACEKPBSA-N 1 0 356.441 3.592 10 0 FHAERO Cc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000055118851 571320045 /nfs/dbraw/zinc/32/00/45/571320045.db2.gz NFEJEWMYFOZVHU-NRFANRHFSA-N 1 0 372.463 3.551 10 0 FHAERO c1cc(CN(Cc2nc3c(s2)CCC3)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000328639458 571325718 /nfs/dbraw/zinc/32/57/18/571325718.db2.gz PNIZCAQCFITKIY-QGZVFWFLSA-N 1 0 359.564 3.838 10 0 FHAERO O=C(CCCc1ccccc1)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000013586767 210233798 /nfs/dbraw/zinc/23/37/98/210233798.db2.gz HFTIKXYSNDRVRI-JOCHJYFZSA-N 1 0 350.506 3.833 10 0 FHAERO COc1cc(N)c(Cl)cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000005998857 210231769 /nfs/dbraw/zinc/23/17/69/210231769.db2.gz CIOOCLHMBKBLRB-UHFFFAOYSA-N 1 0 373.884 3.782 10 0 FHAERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cc(Br)c(Br)o1 ZINC000063192019 212031302 /nfs/dbraw/zinc/03/13/02/212031302.db2.gz NBFFWRHUVHYRNG-GZMMTYOYSA-N 1 0 366.097 3.506 10 0 FHAERO CC1(C)CCCN1[C@H](C[NH3+])c1cc(Br)c(Br)o1 ZINC000063066203 212030363 /nfs/dbraw/zinc/03/03/63/212030363.db2.gz JCUTZKIVSRQKBZ-SECBINFHSA-N 1 0 366.097 3.679 10 0 FHAERO C[C@@H]([NH3+])[C@H](Oc1cccc(I)c1)c1cccs1 ZINC000043111214 211786668 /nfs/dbraw/zinc/78/66/68/211786668.db2.gz WVJCGMKPHXWKPQ-RNCFNFMXSA-N 1 0 359.232 3.820 10 0 FHAERO Cc1ccc([C@@H](C[NH3+])Oc2ccc(I)cc2)cc1 ZINC000042907235 211785153 /nfs/dbraw/zinc/78/51/53/211785153.db2.gz KIOOWSFKTZHUSK-OAHLLOKOSA-N 1 0 353.203 3.678 10 0 FHAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1cc(Br)cn1 ZINC000042956091 211784410 /nfs/dbraw/zinc/78/44/10/211784410.db2.gz QANXZNSHKJNTKZ-CHWSQXEVSA-N 1 0 373.092 3.735 10 0 FHAERO Cc1ccc(Oc2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2N)cc1 ZINC000040760850 211759586 /nfs/dbraw/zinc/75/95/86/211759586.db2.gz HTQCUTRDUBGPRH-UHFFFAOYSA-N 1 0 355.486 3.881 10 0 FHAERO COc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1F ZINC000023250684 211382362 /nfs/dbraw/zinc/38/23/62/211382362.db2.gz HKZBHGPCAICUAD-LJQANCHMSA-N 1 0 370.468 3.613 10 0 FHAERO [NH3+][C@@H](c1ccc(I)cc1)c1ccc2c(c1)CCCO2 ZINC000038057756 211371504 /nfs/dbraw/zinc/37/15/04/211371504.db2.gz CSODAXZMWSCZDJ-INIZCTEOSA-N 1 0 365.214 3.664 10 0 FHAERO C[NH+](C)CCN[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000022038500 211335595 /nfs/dbraw/zinc/33/55/95/211335595.db2.gz SDWMHFRLYBCUOT-KRWDZBQOSA-N 1 0 366.292 3.824 10 0 FHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)NC1CCCCC1 ZINC000037984427 211333264 /nfs/dbraw/zinc/33/32/64/211333264.db2.gz ZELJXRHBHFIOLR-QWHCGFSZSA-N 1 0 353.304 3.937 10 0 FHAERO O=C(NCc1ccccc1)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000021663440 211321272 /nfs/dbraw/zinc/32/12/72/211321272.db2.gz VCARWXNAKFWCIT-UHFFFAOYSA-N 1 0 355.507 3.590 10 0 FHAERO c1cnn(-c2ccc(CN3CCC[C@@H]([N@@H+]4CCc5ccccc5C4)C3)cc2)c1 ZINC000020363051 211277403 /nfs/dbraw/zinc/27/74/03/211277403.db2.gz GDMYVQZSBRVUQO-XMMPIXPASA-N 1 0 372.516 3.895 10 0 FHAERO CC(C)CCc1n[nH]c2c1C[N@@H+]([C@@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000020209359 211272090 /nfs/dbraw/zinc/27/20/90/211272090.db2.gz UULGHTSXDVJGSV-GOSISDBHSA-N 1 0 356.489 3.774 10 0 FHAERO COc1ccc(C[C@H](C)[NH+]2CCC(CCC(=O)N3CCCC3)CC2)cc1 ZINC000014963605 211108651 /nfs/dbraw/zinc/10/86/51/211108651.db2.gz OWAIPAYGOTZLDX-SFHVURJKSA-N 1 0 358.526 3.741 10 0 FHAERO C[NH2+]Cc1ccccc1Sc1ccc(I)cc1N ZINC000013472756 211036387 /nfs/dbraw/zinc/03/63/87/211036387.db2.gz CWUIGDTZNNNLBE-UHFFFAOYSA-N 1 0 370.259 3.744 10 0 FHAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1I)c1cccc(F)c1 ZINC000042974168 220943488 /nfs/dbraw/zinc/94/34/88/220943488.db2.gz LNDKDBGWXGMXJO-BMIGLBTASA-N 1 0 371.193 3.898 10 0 FHAERO C[C@H]([NH3+])[C@H](Oc1ccc(I)cc1)c1ccc(F)cc1 ZINC000042942364 220943499 /nfs/dbraw/zinc/94/34/99/220943499.db2.gz PXKAAFAJEBCBRT-BONVTDFDSA-N 1 0 371.193 3.898 10 0 FHAERO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000072026496 221396750 /nfs/dbraw/zinc/39/67/50/221396750.db2.gz SRMWBGBZHBAVAW-KRWDZBQOSA-N 1 0 359.539 3.748 10 0 FHAERO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cccc3ccccc32)CC1 ZINC000226258673 132374763 /nfs/dbraw/zinc/37/47/63/132374763.db2.gz QMGOSZZADGGMTM-UHFFFAOYSA-N 1 0 374.488 3.816 10 0 FHAERO [NH3+]C1CCN(c2cc(-c3cccnc3)nc(-c3cccc(Cl)c3)n2)CC1 ZINC000073663173 132376727 /nfs/dbraw/zinc/37/67/27/132376727.db2.gz FHZHHYGTJLXIDX-UHFFFAOYSA-N 1 0 365.868 3.787 10 0 FHAERO Fc1ccc(C[NH2+]C[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)cc1 ZINC000096112934 222031035 /nfs/dbraw/zinc/03/10/35/222031035.db2.gz MGOJRXOAMQLTCR-SFHVURJKSA-N 1 0 355.388 3.517 10 0 FHAERO COCc1ccc(-c2nc(-c3ccco3)nn2C2CC[NH+](C)CC2)s1 ZINC000096141323 222046452 /nfs/dbraw/zinc/04/64/52/222046452.db2.gz FXCZQCHROGTQIE-UHFFFAOYSA-N 1 0 358.467 3.680 10 0 FHAERO COc1ccc(-c2n[nH]cc2C[NH2+]CCCc2scnc2C)cc1F ZINC000020780445 523182989 /nfs/dbraw/zinc/18/29/89/523182989.db2.gz AKYIOEASBRZIEK-UHFFFAOYSA-N 1 0 360.458 3.712 10 0 FHAERO Cn1c(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)nc2ccccc21 ZINC000262127127 527052390 /nfs/dbraw/zinc/05/23/90/527052390.db2.gz XWCQIYAITRLQDS-IBGZPJMESA-N 1 0 366.534 3.779 10 0 FHAERO CCC[C@@H](C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)[NH+](C)C ZINC000161752161 567965883 /nfs/dbraw/zinc/96/58/83/567965883.db2.gz WKPZEGHTZLLXMM-NEPJUHHUSA-N 1 0 363.449 3.598 10 0 FHAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(OC)c1 ZINC000121323471 568050861 /nfs/dbraw/zinc/05/08/61/568050861.db2.gz JBTOKYMLEOUICD-UONOGXRCSA-N 1 0 363.479 3.519 10 0 FHAERO CC[C@H]1CN(CCCOc2ccc3ccccc3c2)CC[N@@H+]1CCOC ZINC000106113037 568644691 /nfs/dbraw/zinc/64/46/91/568644691.db2.gz NNIOZEILWIJKJB-NRFANRHFSA-N 1 0 356.510 3.651 10 0 FHAERO CC(C)(C)OC(=O)N1C(C)(C)CC(C[NH3+])(C(=O)OC(C)(C)C)CC1(C)C ZINC000725244896 570442150 /nfs/dbraw/zinc/44/21/50/570442150.db2.gz NRERJJQQBIUWGO-UHFFFAOYSA-N 1 0 370.534 3.861 10 0 FHAERO C[N@@H+](Cc1ccncc1Cl)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328647671 571176300 /nfs/dbraw/zinc/17/63/00/571176300.db2.gz UEBHHDDYEDDXAU-NSHDSACASA-N 1 0 358.795 3.645 10 0 FHAERO C[NH+]1CCC(c2noc(-c3ccc(Br)c(Cl)c3)n2)CC1 ZINC000675054958 571176406 /nfs/dbraw/zinc/17/64/06/571176406.db2.gz MBIVGJIXCMHWBC-UHFFFAOYSA-N 1 0 356.651 3.962 10 0 FHAERO COc1ccc2c(c1)[nH]c(C(=O)NCC[NH+](C)C)c2Sc1ccccc1 ZINC000006798863 571180621 /nfs/dbraw/zinc/18/06/21/571180621.db2.gz KKJSNDDNPDRZIB-UHFFFAOYSA-N 1 0 369.490 3.619 10 0 FHAERO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3nc4ccccc4nc3C)C2)c1 ZINC000077303617 571207121 /nfs/dbraw/zinc/20/71/21/571207121.db2.gz SNMUSKMWYSXACR-INIZCTEOSA-N 1 0 363.461 3.945 10 0 FHAERO CCC[C@H](O)C[N@H+](CCc1nc(-c2ccc(C)cc2)no1)Cc1ccco1 ZINC000036147356 571243450 /nfs/dbraw/zinc/24/34/50/571243450.db2.gz BGQKPOUFTHKVTR-SFHVURJKSA-N 1 0 369.465 3.844 10 0 FHAERO CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH+](Cc1cccnc1C)CC2 ZINC000548349698 571272300 /nfs/dbraw/zinc/27/23/00/571272300.db2.gz RFUABDABIMBUII-FQEVSTJZSA-N 1 0 369.534 3.855 10 0 FHAERO Cc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000055118854 571320096 /nfs/dbraw/zinc/32/00/96/571320096.db2.gz NFEJEWMYFOZVHU-OAQYLSRUSA-N 1 0 372.463 3.551 10 0 FHAERO c1csc(CN(Cc2cnc(C3CC3)s2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000328650160 571326046 /nfs/dbraw/zinc/32/60/46/571326046.db2.gz VIMQEUOLFOTBGX-HNNXBMFYSA-N 1 0 360.552 3.621 10 0 FHAERO COCCc1ccc([C@@H]([NH3+])c2ccccc2I)cc1 ZINC000019970929 220307922 /nfs/dbraw/zinc/30/79/22/220307922.db2.gz LHJKDAKJAAMCKI-MRXNPFEDSA-N 1 0 367.230 3.528 10 0 FHAERO [NH3+]CC[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(-c2cn[nH]c2)cc1 ZINC000034842735 220764961 /nfs/dbraw/zinc/76/49/61/220764961.db2.gz PUIFTWZDTMCRPB-GOSISDBHSA-N 1 0 354.841 3.550 10 0 FHAERO C[NH+](C)C[C@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccccc1 ZINC000048274585 221004008 /nfs/dbraw/zinc/00/40/08/221004008.db2.gz CIZSOPPUUHOQCE-SFHVURJKSA-N 1 0 354.498 3.548 10 0 FHAERO CC[NH2+]Cc1cccc(Oc2cccc(I)c2)n1 ZINC000051570530 221035661 /nfs/dbraw/zinc/03/56/61/221035661.db2.gz JTLWUQCMTUQLLN-UHFFFAOYSA-N 1 0 354.191 3.588 10 0 FHAERO CCOCCC[NH2+]C[C@H](C)Oc1ccc(Cl)cc1Br ZINC000053567761 221047208 /nfs/dbraw/zinc/04/72/08/221047208.db2.gz ZOPSZYJKQKSGSA-NSHDSACASA-N 1 0 350.684 3.886 10 0 FHAERO CCOc1ccc(C[NH+]2CCC(c3nncn3C(C)C)CC2)cc1OC ZINC000065287607 221195998 /nfs/dbraw/zinc/19/59/98/221195998.db2.gz KWHXSFBROOHMLE-UHFFFAOYSA-N 1 0 358.486 3.646 10 0 FHAERO C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000071973887 221391239 /nfs/dbraw/zinc/39/12/39/221391239.db2.gz MCIDCGUCZHPMJI-CHWSQXEVSA-N 1 0 359.297 3.609 10 0 FHAERO Clc1ccc(-c2nc(-c3ccccc3)cc(N3CC[NH2+]CC3)n2)cc1 ZINC000073662848 132376759 /nfs/dbraw/zinc/37/67/59/132376759.db2.gz WYAFFEIHKGMPIQ-UHFFFAOYSA-N 1 0 350.853 3.874 10 0 FHAERO [NH3+]CC1CCN(c2cc(-c3ccccn3)nc(-c3ccc(F)cc3)n2)CC1 ZINC000073684651 132377054 /nfs/dbraw/zinc/37/70/54/132377054.db2.gz DEEQXXVTJDGCLN-UHFFFAOYSA-N 1 0 363.440 3.520 10 0 FHAERO CCc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)o1 ZINC000023375155 136152758 /nfs/dbraw/zinc/15/27/58/136152758.db2.gz KNIQTHMELFIOET-HXUWFJFHSA-N 1 0 353.510 3.629 10 0 FHAERO Fc1ccccc1-c1nc(NC[C@H]2CCC[NH2+]C2)cc(-c2ccccn2)n1 ZINC000073684820 221565929 /nfs/dbraw/zinc/56/59/29/221565929.db2.gz MGEPGJDVUGKBBK-HNNXBMFYSA-N 1 0 363.440 3.756 10 0 FHAERO CCc1c(C)nc(-c2ccc(C(F)(F)F)cc2)nc1N1CCC[NH2+]CC1 ZINC000073663453 221566313 /nfs/dbraw/zinc/56/63/13/221566313.db2.gz JZXSJRKYDUPRJJ-UHFFFAOYSA-N 1 0 364.415 3.833 10 0 FHAERO Cc1nc(CN2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)c[nH]1 ZINC000020452054 263380609 /nfs/dbraw/zinc/38/06/09/263380609.db2.gz YJLMCFUSJFAHTK-UHFFFAOYSA-N 1 0 367.415 3.554 10 0 FHAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1cccc(Br)c1 ZINC000038012568 263399265 /nfs/dbraw/zinc/39/92/65/263399265.db2.gz BZJGOLZVTJNRIU-LLVKDONJSA-N 1 0 351.219 3.878 10 0 FHAERO COc1ccc(/C=C/C[N@H+]2CCC(=O)N(CC3CCCCC3)CC2)cc1 ZINC000019837461 523404234 /nfs/dbraw/zinc/40/42/34/523404234.db2.gz CYVKVHZQPVFDDK-VMPITWQZSA-N 1 0 356.510 3.823 10 0 FHAERO C[N@H+](Cc1ccoc1)Cc1ccc(-c2nc3c(c(=O)[nH]2)CSC3)cc1 ZINC000020780750 523476384 /nfs/dbraw/zinc/47/63/84/523476384.db2.gz XWTTVHXYGPIOQE-UHFFFAOYSA-N 1 0 353.447 3.821 10 0 FHAERO CN(Cc1nccs1)[C@H]1CC12CC[NH+](Cc1c(F)cccc1F)CC2 ZINC000275489766 523604007 /nfs/dbraw/zinc/60/40/07/523604007.db2.gz BMKQAKAFWPLNNV-KRWDZBQOSA-N 1 0 363.477 3.908 10 0 FHAERO Cc1nnc(C[NH2+]C2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)[nH]1 ZINC000020601040 526343578 /nfs/dbraw/zinc/34/35/78/526343578.db2.gz GXLLIQQWBSBGKA-UHFFFAOYSA-N 1 0 365.456 3.678 10 0 FHAERO Cn1c(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)nc2ccccc21 ZINC000262127130 527051687 /nfs/dbraw/zinc/05/16/87/527051687.db2.gz XWCQIYAITRLQDS-LJQANCHMSA-N 1 0 366.534 3.779 10 0 FHAERO CCC(C)(C)[NH2+]CC[C@H](CO)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000725267651 570541054 /nfs/dbraw/zinc/54/10/54/570541054.db2.gz PPCUTKGDHWCENP-BRWVUGGUSA-N 1 0 356.551 3.656 10 0 FHAERO COc1ccc(C[NH+]2CCC3(C[C@H]3N(C)Cc3nccs3)CC2)cc1 ZINC000275604328 570721509 /nfs/dbraw/zinc/72/15/09/570721509.db2.gz INBQAAXOVLIHCH-GOSISDBHSA-N 1 0 357.523 3.638 10 0 FHAERO COC[C@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1ccccc1C ZINC000004588701 570855308 /nfs/dbraw/zinc/85/53/08/570855308.db2.gz UTKUWTMZHFPCOV-JOCHJYFZSA-N 1 0 358.526 3.700 10 0 FHAERO COc1cccc([C@]2(O)CC[C@@H](OCc3ccccc3)C[C@@H]2C[NH+](C)C)c1 ZINC000140063097 570967498 /nfs/dbraw/zinc/96/74/98/570967498.db2.gz YCASJHUVYASQDJ-YMPZKCBVSA-N 1 0 369.505 3.830 10 0 FHAERO CC[C@H](C)[NH2+]Cc1nc(Br)c(Br)n1C(C)C ZINC000584881907 570987772 /nfs/dbraw/zinc/98/77/72/570987772.db2.gz SQIDIVIMSAVVCD-QMMMGPOBSA-N 1 0 353.102 3.877 10 0 FHAERO c1csc(CN(Cc2ccc3ncccc3c2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261794915 571024741 /nfs/dbraw/zinc/02/47/41/571024741.db2.gz QTZIGBNBYQTUDU-LJQANCHMSA-N 1 0 364.518 3.836 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1cccc(Br)c1 ZINC000675052408 571121067 /nfs/dbraw/zinc/12/10/67/571121067.db2.gz ADRGJCWYVCDEGT-KBPBESRZSA-N 1 0 355.276 3.848 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccccc1Br ZINC000675052570 571121155 /nfs/dbraw/zinc/12/11/55/571121155.db2.gz BPJQNFGIHAFAAR-BXUZGUMPSA-N 1 0 355.276 3.848 10 0 FHAERO C[C@@H](Nc1ncnc2c1CC[N@H+](Cc1cccnc1)CC2)c1ccccc1 ZINC000072470246 571198362 /nfs/dbraw/zinc/19/83/62/571198362.db2.gz WORDQRFAXWAXQP-QGZVFWFLSA-N 1 0 359.477 3.646 10 0 FHAERO Cc1noc([C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C2CCOCC2)n1 ZINC000328627977 571325049 /nfs/dbraw/zinc/32/50/49/571325049.db2.gz NGGWZNSPHDLHPQ-SLFFLAALSA-N 1 0 355.482 3.847 10 0 FHAERO Cc1cccc(CC(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000328648491 571325952 /nfs/dbraw/zinc/32/59/52/571325952.db2.gz URFNSGSTPUIBHX-LJQANCHMSA-N 1 0 354.519 3.770 10 0 FHAERO COc1ccccc1-c1noc2ncnc(NCC[N@@H+]3CCCC[C@H]3C)c21 ZINC000015821995 220165967 /nfs/dbraw/zinc/16/59/67/220165967.db2.gz YYGGKZDAUDTASB-CQSZACIVSA-N 1 0 367.453 3.580 10 0 FHAERO Clc1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](N4CCOCC4)C3)o2)c1 ZINC000019743210 220291020 /nfs/dbraw/zinc/29/10/20/220291020.db2.gz NUMGVQONJSHELV-GOSISDBHSA-N 1 0 360.885 3.897 10 0 FHAERO O=c1[nH]c(-c2ccc(C[N@@H+]3CCC[C@@H]3c3ccccn3)cc2)nc2c1CCC2 ZINC000019841575 220300849 /nfs/dbraw/zinc/30/08/49/220300849.db2.gz QKDCMUXGMNYRIG-OAQYLSRUSA-N 1 0 372.472 3.658 10 0 FHAERO O=c1c(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)coc2ccccc21 ZINC000020600704 220334674 /nfs/dbraw/zinc/33/46/74/220334674.db2.gz WLSVAJYZUUNDCS-OAQYLSRUSA-N 1 0 374.484 3.816 10 0 FHAERO COc1cccc(-c2noc3ncnc(NCCC[NH+]4CCCCC4)c32)c1 ZINC000021714915 220364715 /nfs/dbraw/zinc/36/47/15/220364715.db2.gz WNYQDUMSVLZDPU-UHFFFAOYSA-N 1 0 367.453 3.581 10 0 FHAERO CC(C)[C@@](O)(c1ccccc1)[C@H](Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000022040938 220375116 /nfs/dbraw/zinc/37/51/16/220375116.db2.gz UFTFZXGGSQZPJA-DNQXCXABSA-N 1 0 366.549 3.637 10 0 FHAERO CC(C)[C@](O)(c1ccccc1)[C@@H](Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000022040934 220375272 /nfs/dbraw/zinc/37/52/72/220375272.db2.gz UFTFZXGGSQZPJA-ZEQRLZLVSA-N 1 0 366.549 3.637 10 0 FHAERO C/C=C1\C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(C)=O)c1ccnc2ccc(OC)cc21 ZINC000022047145 220375675 /nfs/dbraw/zinc/37/56/75/220375675.db2.gz UVUZUZKZOWNTJI-JJJURRGRSA-N 1 0 366.461 3.888 10 0 in-vitro FHAERO CC[NH+]1CCC([C@H](C)Nc2ccc(I)cc2)CC1 ZINC000037221950 220832722 /nfs/dbraw/zinc/83/27/22/220832722.db2.gz HNBRTOZIFOZXTE-LBPRGKRZSA-N 1 0 358.267 3.824 10 0 FHAERO COC(=O)CCC[C@H]([NH3+])c1cc(Br)ccc1Br ZINC000037636021 220842661 /nfs/dbraw/zinc/84/26/61/220842661.db2.gz OIANDVOUXXJJIH-NSHDSACASA-N 1 0 365.065 3.555 10 0 FHAERO CCCO[C@H]1CCC[N@H+](Cc2ccccc2-c2nc(C(C)C)cc(=O)[nH]2)C1 ZINC000048159237 221000816 /nfs/dbraw/zinc/00/08/16/221000816.db2.gz CCSNGTUGGGADML-SFHVURJKSA-N 1 0 369.509 3.951 10 0 FHAERO CCOc1cc2[nH+]ccc(Nc3ccc(C(N)=O)cc3)c2cc1OCC ZINC000054202426 221051269 /nfs/dbraw/zinc/05/12/69/221051269.db2.gz FLPKLVJIXOFNEJ-UHFFFAOYSA-N 1 0 351.406 3.875 10 0 FHAERO C[C@@]1(C(=O)Nc2c(Cl)cc(Br)cc2Cl)CC[NH2+]C1 ZINC000062890125 221141033 /nfs/dbraw/zinc/14/10/33/221141033.db2.gz CNPIFPRLLKQJHV-GFCCVEGCSA-N 1 0 352.059 3.694 10 0 FHAERO O=C1CC2(CN1Cc1ccc(Cl)cc1)CCN(c1cc[nH+]cc1)CC2 ZINC000077302038 132180770 /nfs/dbraw/zinc/18/07/70/132180770.db2.gz BEHIFQSQJNTZOX-UHFFFAOYSA-N 1 0 355.869 3.754 10 0 FHAERO Cc1cc(N2CCC([NH2+][C@@H](C)c3ncccc3C)CC2)nc(C(C)C)n1 ZINC000095501244 132212428 /nfs/dbraw/zinc/21/24/28/132212428.db2.gz XZWYTNBZJIXZKZ-KRWDZBQOSA-N 1 0 353.514 3.931 10 0 FHAERO C[NH+](C)CCN1c2cc(Cl)ccc2C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000001849132 132382498 /nfs/dbraw/zinc/38/24/98/132382498.db2.gz BWQDZTIDRDNPPW-QGZVFWFLSA-N 1 0 364.276 3.804 10 0 FHAERO Nc1c(Nc2cc[nH+]cc2)ncnc1N1CCC(Cc2ccccc2)CC1 ZINC000040687528 136119932 /nfs/dbraw/zinc/11/99/32/136119932.db2.gz RGYIYAGEMHBZLC-UHFFFAOYSA-N 1 0 360.465 3.657 10 0 FHAERO CN1CCC[C@H](C[N@H+](CCc2ccccc2)Cc2cccc3nonc32)C1 ZINC000020454322 523840193 /nfs/dbraw/zinc/84/01/93/523840193.db2.gz MWXSZRRBMYWMLI-IBGZPJMESA-N 1 0 364.493 3.609 10 0 FHAERO CCCc1cnc(C)nc1N1CCC([NH2+][C@@H](C)c2ncccc2C)CC1 ZINC000096180477 535437339 /nfs/dbraw/zinc/43/73/39/535437339.db2.gz RBIZXQASQRQVHA-INIZCTEOSA-N 1 0 353.514 3.761 10 0 FHAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@H](CO)CC[NH2+]C1CCCCC1 ZINC000725266723 570540140 /nfs/dbraw/zinc/54/01/40/570540140.db2.gz ACKSHTAXUCPVGC-ZIFCJYIRSA-N 1 0 368.562 3.800 10 0 FHAERO CCC(CC)[NH2+]Cc1cccc(-n2cc(I)cn2)c1 ZINC000725273665 570543557 /nfs/dbraw/zinc/54/35/57/570543557.db2.gz TXBJNTKOPLQVBZ-UHFFFAOYSA-N 1 0 369.250 3.755 10 0 FHAERO CN(Cc1nccs1)[C@@H]1CC12CC[NH+](CCc1ccccc1F)CC2 ZINC000275848673 570728931 /nfs/dbraw/zinc/72/89/31/570728931.db2.gz WRVBKUSKSMMDJC-GOSISDBHSA-N 1 0 359.514 3.811 10 0 FHAERO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccccc2)o1 ZINC000583615071 570807789 /nfs/dbraw/zinc/80/77/89/570807789.db2.gz WPSJJOYJDQVMOP-ZJOUEHCJSA-N 1 0 357.450 3.824 10 0 FHAERO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(Oc2ccccc2)o1 ZINC000583615072 570807873 /nfs/dbraw/zinc/80/78/73/570807873.db2.gz WPSJJOYJDQVMOP-ZVDOUQERSA-N 1 0 357.450 3.824 10 0 FHAERO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000583618780 570808515 /nfs/dbraw/zinc/80/85/15/570808515.db2.gz ITURVJFKKLWDJG-SJBKTWHCSA-N 1 0 359.510 3.760 10 0 FHAERO [NH3+][C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000583619871 570809014 /nfs/dbraw/zinc/80/90/14/570809014.db2.gz TWXFERWVMNFHNZ-ZUZCIYMTSA-N 1 0 356.319 3.580 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1cccc(Br)c1F ZINC000675052529 571121007 /nfs/dbraw/zinc/12/10/07/571121007.db2.gz AUJKAOMXNVDIEV-ZWNOBZJWSA-N 1 0 373.266 3.988 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1cccc(Br)c1F ZINC000675052526 571121418 /nfs/dbraw/zinc/12/14/18/571121418.db2.gz AUJKAOMXNVDIEV-MFKMUULPSA-N 1 0 373.266 3.988 10 0 FHAERO c1cnn(-c2cccc(-c3c(-c4ccccc4)ncn3[C@H]3CC[NH2+]C3)c2)c1 ZINC000065374695 571142178 /nfs/dbraw/zinc/14/21/78/571142178.db2.gz XCGHMQRYGMZDLQ-FQEVSTJZSA-N 1 0 355.445 3.937 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2ccccc2Br)C1 ZINC000675053103 571148588 /nfs/dbraw/zinc/14/85/88/571148588.db2.gz FVGZJEAWNMYWJI-BXUZGUMPSA-N 1 0 355.276 3.767 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2ccccc2Br)C1 ZINC000675053104 571148603 /nfs/dbraw/zinc/14/86/03/571148603.db2.gz FVGZJEAWNMYWJI-FZMZJTMJSA-N 1 0 355.276 3.767 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1cc(F)cc(Br)c1 ZINC000675055771 571271264 /nfs/dbraw/zinc/27/12/64/571271264.db2.gz XUKHKWNAGVMJOK-UONOGXRCSA-N 1 0 373.266 3.988 10 0 FHAERO CC(=O)N(Cc1cncnc1)[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC000328632957 571325375 /nfs/dbraw/zinc/32/53/75/571325375.db2.gz LPYOXDVNHYBMEE-XMSQKQJNSA-N 1 0 366.509 3.749 10 0 FHAERO O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000000575546 219304409 /nfs/dbraw/zinc/30/44/09/219304409.db2.gz RFTWMVGLYKJUCZ-KRWDZBQOSA-N 1 0 354.416 3.725 10 0 investigational FHAERO CCN(CC)c1ccc2cc(-c3n(C)c4ccccc4[n+]3C)c(=O)oc2c1 ZINC000005139516 219653506 /nfs/dbraw/zinc/65/35/06/219653506.db2.gz WLMBBHKEDKVSJO-UHFFFAOYSA-N 1 0 362.453 3.622 10 0 FHAERO CCOC(=O)c1c(CC)nc2n(CC[NH+]3CCCCC3)c3ccccc3n21 ZINC000005285502 219668397 /nfs/dbraw/zinc/66/83/97/219668397.db2.gz KENFACHLRMYEKV-UHFFFAOYSA-N 1 0 368.481 3.514 10 0 FHAERO Fc1cccc(CN2CCC[C@]3(CC[N@H+](CCCn4cccn4)C3)C2)c1F ZINC000012707078 220020021 /nfs/dbraw/zinc/02/00/21/220020021.db2.gz OEXYHYZGQJBFSB-OAQYLSRUSA-N 1 0 374.479 3.540 10 0 FHAERO COc1ccc(C[C@@H](C)[NH+]2CCC(CCC(=O)N3CCCC3)CC2)cc1 ZINC000014963601 220137504 /nfs/dbraw/zinc/13/75/04/220137504.db2.gz OWAIPAYGOTZLDX-GOSISDBHSA-N 1 0 358.526 3.741 10 0 FHAERO c1cnn(-c2ccc(CN3CCC[C@H]([N@@H+]4CCc5ccccc5C4)C3)cc2)c1 ZINC000020363053 220323497 /nfs/dbraw/zinc/32/34/97/220323497.db2.gz GDMYVQZSBRVUQO-DEOSSOPVSA-N 1 0 372.516 3.895 10 0 FHAERO CCN(CC)[C@@H]1NC(n2nc(C)cc2C)=[NH+]c2sc3c(c21)CCCC3 ZINC000028286585 220570673 /nfs/dbraw/zinc/57/06/73/220570673.db2.gz CZCNXNWNRPYONR-KRWDZBQOSA-N 1 0 357.527 3.920 10 0 FHAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(I)cc1)c1cccc(F)c1 ZINC000042974100 220943440 /nfs/dbraw/zinc/94/34/40/220943440.db2.gz JGQAACBPUAIGLF-MEBBXXQBSA-N 1 0 371.193 3.898 10 0 FHAERO C[NH2+]C[C@H]1CCN(c2c(Br)cc(C)cc2Br)C1 ZINC000053013257 221041656 /nfs/dbraw/zinc/04/16/56/221041656.db2.gz CJDWQEONRHZBIN-SNVBAGLBSA-N 1 0 362.109 3.566 10 0 FHAERO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(I)cc1 ZINC000054627907 221054339 /nfs/dbraw/zinc/05/43/39/221054339.db2.gz NLRRZFSXZHOIPB-VHRNVKJDSA-N 1 0 370.278 3.791 10 0 FHAERO [NH3+][C@H](Cc1cc(Br)c(Br)o1)Cc1ccccc1 ZINC000054685393 221055268 /nfs/dbraw/zinc/05/52/68/221055268.db2.gz NKVMAZJPMREJRO-JTQLQIEISA-N 1 0 359.061 3.917 10 0 FHAERO C[C@H](CCCC(C)(C)O)[NH2+]C1CCN(c2ccc(-n3ccnc3)cc2)CC1 ZINC000063883432 221145300 /nfs/dbraw/zinc/14/53/00/221145300.db2.gz UNUIWWOXXVOYDQ-GOSISDBHSA-N 1 0 370.541 3.760 10 0 FHAERO Fc1cccc(C[N@@H+]2CCC[C@H](c3nncn3Cc3ccccc3)C2)c1 ZINC000065287793 221195907 /nfs/dbraw/zinc/19/59/07/221195907.db2.gz ISBARWWAHIUMPB-IBGZPJMESA-N 1 0 350.441 3.845 10 0 FHAERO CCc1noc(-c2cccc(NC(=O)c3ccccc3[C@@H]3CC[NH2+]C3)c2)n1 ZINC000072170267 221447337 /nfs/dbraw/zinc/44/73/37/221447337.db2.gz XYNXLHZNGLSECE-OAHLLOKOSA-N 1 0 362.433 3.628 10 0 FHAERO C[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000226258572 132374717 /nfs/dbraw/zinc/37/47/17/132374717.db2.gz YABNAIOETFZHRS-UHFFFAOYSA-N 1 0 366.509 3.570 10 0 FHAERO Clc1cccc(-c2nc(-c3ccccc3)cc(N3CC[NH2+]CC3)n2)c1 ZINC000073662801 132376749 /nfs/dbraw/zinc/37/67/49/132376749.db2.gz XCPZIOSCPQYZTN-UHFFFAOYSA-N 1 0 350.853 3.874 10 0 FHAERO [NH3+]CC1CCN(c2cc(-c3ccccn3)nc(-c3cccc(F)c3)n2)CC1 ZINC000073684534 132377086 /nfs/dbraw/zinc/37/70/86/132377086.db2.gz NFUJHJCUOUCXLC-UHFFFAOYSA-N 1 0 363.440 3.520 10 0 FHAERO Fc1cc2c(cc1OCCC[NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000026568111 132915987 /nfs/dbraw/zinc/91/59/87/132915987.db2.gz HDCDCNQOCFAIKI-UHFFFAOYSA-N 1 0 354.469 3.906 10 0 FHAERO Cc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCC(C)C)cc2)CC1 ZINC000034684142 136117844 /nfs/dbraw/zinc/11/78/44/136117844.db2.gz BKRQOMKIMMNHJN-UHFFFAOYSA-N 1 0 365.521 3.703 10 0 FHAERO Clc1cccc(-c2nc(-c3cccnc3)cc(N3CCC[NH2+]CC3)n2)c1 ZINC000073663408 221565594 /nfs/dbraw/zinc/56/55/94/221565594.db2.gz AYRLHYUFMKDVRK-UHFFFAOYSA-N 1 0 365.868 3.659 10 0 FHAERO CC[NH+]1CCC2(CC1)C[C@H](NCc1cccc(C)n1)c1ccccc1O2 ZINC000096079750 222017249 /nfs/dbraw/zinc/01/72/49/222017249.db2.gz RLYUJQLOQPDAAJ-FQEVSTJZSA-N 1 0 351.494 3.858 10 0 FHAERO Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)c12 ZINC000097042387 222154664 /nfs/dbraw/zinc/15/46/64/222154664.db2.gz GAWXGPPIQYCUNG-SFHVURJKSA-N 1 0 366.465 3.687 10 0 FHAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000097437235 222180757 /nfs/dbraw/zinc/18/07/57/222180757.db2.gz PLPRSRPYRXXYOZ-ZFWWWQNUSA-N 1 0 357.445 3.625 10 0 FHAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000097437236 222180829 /nfs/dbraw/zinc/18/08/29/222180829.db2.gz PLPRSRPYRXXYOZ-DZGCQCFKSA-N 1 0 357.445 3.625 10 0 FHAERO Fc1ccc2cc(C[NH2+]CCN3CCOCC3)c(-c3ccsc3)nc2c1 ZINC000020449756 263379988 /nfs/dbraw/zinc/37/99/88/263379988.db2.gz AQASLIWUOZBPSI-UHFFFAOYSA-N 1 0 371.481 3.524 10 0 FHAERO COc1ccc(/C=C/C[NH2+][C@@H]2CCCN(Cc3cccc(OC)c3)C2)cc1 ZINC000020997654 523406124 /nfs/dbraw/zinc/40/61/24/523406124.db2.gz GTWNZSOZNIKIHE-HXRGIAOBSA-N 1 0 366.505 3.971 10 0 FHAERO CN(Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc(F)c1F)CC2 ZINC000275489777 523605417 /nfs/dbraw/zinc/60/54/17/523605417.db2.gz BMLWGJYWDALTJM-MRXNPFEDSA-N 1 0 363.477 3.908 10 0 FHAERO Fc1ccccc1-c1nc(NC[C@H]2CCC[NH2+]C2)cc(-c2cccnc2)n1 ZINC000073684812 526407004 /nfs/dbraw/zinc/40/70/04/526407004.db2.gz FJIMSBWOIGGAEJ-HNNXBMFYSA-N 1 0 363.440 3.756 10 0 FHAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000275611677 527471715 /nfs/dbraw/zinc/47/17/15/527471715.db2.gz RATWRSRMNOZICI-HKUYNNGSSA-N 1 0 353.422 3.815 10 0 FHAERO CC[C@H]1CN(CCCOc2cccc(C(F)(F)F)c2)CC[N@@H+]1CCOC ZINC000106113420 568644934 /nfs/dbraw/zinc/64/49/34/568644934.db2.gz GDUODNHDMIZTKE-KRWDZBQOSA-N 1 0 374.447 3.517 10 0 FHAERO CCC(CC)[NH2+]CC[C@H](CO)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000725267658 570541112 /nfs/dbraw/zinc/54/11/12/570541112.db2.gz PYYGODSFTUGENK-JFIYKMOQSA-N 1 0 356.551 3.656 10 0 FHAERO O=C(COC1CCCCC1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261697790 571018535 /nfs/dbraw/zinc/01/85/35/571018535.db2.gz LELNPWRDLOQVPH-SFHVURJKSA-N 1 0 362.539 3.568 10 0 FHAERO CC(C)c1cnc(CN(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000262153448 571083376 /nfs/dbraw/zinc/08/33/76/571083376.db2.gz RMMFHDBOZKKPFU-OAHLLOKOSA-N 1 0 362.568 3.867 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2cc(F)ccc2Br)C1 ZINC000675053983 571157923 /nfs/dbraw/zinc/15/79/23/571157923.db2.gz LAZQOYCUOZTBOZ-SMDDNHRTSA-N 1 0 373.266 3.906 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccc(F)cc1Br ZINC000675054792 571176000 /nfs/dbraw/zinc/17/60/00/571176000.db2.gz PHTCCAUOOVJXLI-FZMZJTMJSA-N 1 0 373.266 3.988 10 0 FHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000190431936 571204244 /nfs/dbraw/zinc/20/42/44/571204244.db2.gz IBNKACHGNYJFRJ-PMACEKPBSA-N 1 0 360.546 3.510 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccc(Br)c(F)c1 ZINC000675055833 571271384 /nfs/dbraw/zinc/27/13/84/571271384.db2.gz ZERXLRPCLHQBQB-SMDDNHRTSA-N 1 0 373.266 3.988 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccc(Cl)cc21 ZINC000675069312 571272033 /nfs/dbraw/zinc/27/20/33/571272033.db2.gz GVWOBBBYELXFLH-CQSZACIVSA-N 1 0 352.862 3.811 10 0 FHAERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cccn1Cc1cccs1 ZINC000328626311 571324757 /nfs/dbraw/zinc/32/47/57/571324757.db2.gz DZZHSLQLTWJZIL-OXJNMPFZSA-N 1 0 370.522 3.682 10 0 FHAERO CCC(CC)[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2=O ZINC000012596809 220012107 /nfs/dbraw/zinc/01/21/07/220012107.db2.gz XGHWCYAIRKMNSA-OAQYLSRUSA-N 1 0 362.489 3.837 10 0 FHAERO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)o1 ZINC000012612187 220013596 /nfs/dbraw/zinc/01/35/96/220013596.db2.gz IAQYTLOJYLYNED-OAQYLSRUSA-N 1 0 356.441 3.742 10 0 FHAERO [NH3+]CCCNc1nc(-c2cccc(OC(F)(F)F)c2)cc2ncccc21 ZINC000013489161 220069554 /nfs/dbraw/zinc/06/95/54/220069554.db2.gz JYDBMWYHCQHXMH-UHFFFAOYSA-N 1 0 362.355 3.956 10 0 FHAERO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1C ZINC000013743327 220092177 /nfs/dbraw/zinc/09/21/77/220092177.db2.gz FRPRNNRJTCONEC-STZQEDGTSA-N 1 0 366.505 3.874 10 0 in-man FHAERO CC(C)C[N@H+](C)[C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014748668 220132285 /nfs/dbraw/zinc/13/22/85/220132285.db2.gz PWAAFHPYHRQEMR-GOSISDBHSA-N 1 0 374.573 3.610 10 0 FHAERO Cc1ccc(-n2cc(CN3CC[NH+](C)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000019608585 220281062 /nfs/dbraw/zinc/28/10/62/220281062.db2.gz KIPXXYXBBLXXGU-UHFFFAOYSA-N 1 0 364.468 3.734 10 0 FHAERO COc1ccc2c(c1)N=C(N1CCN(C)CC1)c1cc(Cl)ccc1O2 ZINC000022062051 220375978 /nfs/dbraw/zinc/37/59/78/220375978.db2.gz CQTLHLYDQYOEJW-UHFFFAOYSA-N 1 0 357.841 3.780 10 0 in-vitro FHAERO CC(C)C[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000037984628 220843822 /nfs/dbraw/zinc/84/38/22/220843822.db2.gz XPCGHIKUXRGVNQ-ZQIUZPCESA-N 1 0 358.320 3.912 10 0 FHAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1I)c1cccc(F)c1 ZINC000042974170 220943455 /nfs/dbraw/zinc/94/34/55/220943455.db2.gz LNDKDBGWXGMXJO-MEBBXXQBSA-N 1 0 371.193 3.898 10 0 FHAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1I)c1ccc(F)cc1 ZINC000042942503 220944055 /nfs/dbraw/zinc/94/40/55/220944055.db2.gz FCAVMYACJLWAMT-MEBBXXQBSA-N 1 0 371.193 3.898 10 0 FHAERO CC(C)[NH2+]Cc1occc1COc1cccc(I)c1 ZINC000052696390 221038785 /nfs/dbraw/zinc/03/87/85/221038785.db2.gz DLSRNZSMVUKVPJ-UHFFFAOYSA-N 1 0 371.218 3.961 10 0 FHAERO C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)c1ccc(Cl)cc1 ZINC000057315449 221085958 /nfs/dbraw/zinc/08/59/58/221085958.db2.gz CYOFVAOCWDBSOJ-KGLIPLIRSA-N 1 0 371.868 3.755 10 0 FHAERO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3cccc4nonc43)c2C)cc1 ZINC000059418147 221126756 /nfs/dbraw/zinc/12/67/56/221126756.db2.gz UAMVAOMGJDBMOR-CYBMUJFWSA-N 1 0 363.421 3.576 10 0 FHAERO CC(C)[C@H]1CN(C(=O)c2cc3ccccc3n2C)CCC[N@@H+]1CC1CC1 ZINC000071749815 221360746 /nfs/dbraw/zinc/36/07/46/221360746.db2.gz ZCHUPJFMJJNRCA-OAQYLSRUSA-N 1 0 353.510 3.761 10 0 FHAERO C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000071973891 221391774 /nfs/dbraw/zinc/39/17/74/221391774.db2.gz MCIDCGUCZHPMJI-OLZOCXBDSA-N 1 0 359.297 3.609 10 0 FHAERO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2N)CC1 ZINC000226265335 132374842 /nfs/dbraw/zinc/37/48/42/132374842.db2.gz VWTRQKCJVAYDPC-UHFFFAOYSA-N 1 0 366.509 3.786 10 0 FHAERO Cc1ccc(-c2nc(-c3ccncc3)cc(N3CCC(C[NH3+])CC3)n2)cc1 ZINC000073684511 132377096 /nfs/dbraw/zinc/37/70/96/132377096.db2.gz VASMBQXUGVOBSD-UHFFFAOYSA-N 1 0 359.477 3.689 10 0 FHAERO Fc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccccn3)n2)cc1 ZINC000073684418 221566381 /nfs/dbraw/zinc/56/63/81/221566381.db2.gz SIQNRIGKWCSSEH-UHFFFAOYSA-N 1 0 363.440 3.756 10 0 FHAERO [NH3+]Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000098178632 222230561 /nfs/dbraw/zinc/23/05/61/222230561.db2.gz BLRAWQPHNQIVRH-UHFFFAOYSA-N 1 0 366.486 3.536 10 0 FHAERO C[C@H]([NH3+])Cc1ccccc1Oc1cccc(I)c1 ZINC000104297613 222353835 /nfs/dbraw/zinc/35/38/35/222353835.db2.gz NTRRQSPGRHZJJH-NSHDSACASA-N 1 0 353.203 3.973 10 0 FHAERO Cc1cccc(CN2CCC[C@]3(CC[N@@H+](C4CCSCC4)C3)C2=O)c1 ZINC000011817169 263368355 /nfs/dbraw/zinc/36/83/55/263368355.db2.gz MZGOZXQCSSJFEE-OAQYLSRUSA-N 1 0 358.551 3.705 10 0 FHAERO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1F)c1cccc(Br)c1 ZINC000038012600 263399215 /nfs/dbraw/zinc/39/92/15/263399215.db2.gz IDCCHYFSXWXKHM-SNVBAGLBSA-N 1 0 351.219 3.538 10 0 FHAERO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1F)c1cccc(Br)c1 ZINC000038012599 263399745 /nfs/dbraw/zinc/39/97/45/263399745.db2.gz IDCCHYFSXWXKHM-JTQLQIEISA-N 1 0 351.219 3.538 10 0 FHAERO [NH3+]CC1CCN(c2cc(-c3cccnc3)nc(-c3ccccc3F)n2)CC1 ZINC000073684549 527167370 /nfs/dbraw/zinc/16/73/70/527167370.db2.gz AMBXKPATBVYJBC-UHFFFAOYSA-N 1 0 363.440 3.520 10 0 FHAERO CC[NH2+]C1CCN(c2cc(Br)ccc2Br)CC1 ZINC000042580540 535451719 /nfs/dbraw/zinc/45/17/19/535451719.db2.gz LTAZKYGXXWROAN-UHFFFAOYSA-N 1 0 362.109 3.790 10 0 FHAERO CCN1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000067220008 568071886 /nfs/dbraw/zinc/07/18/86/568071886.db2.gz RTVGKGRJXWZPKK-HXUWFJFHSA-N 1 0 361.493 3.508 10 0 FHAERO [NH3+]C[C@H]1[C@@H](F)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725244881 570441999 /nfs/dbraw/zinc/44/19/99/570441999.db2.gz BDEYDHJIMQNIJJ-PMACEKPBSA-N 1 0 354.425 3.697 10 0 FHAERO CCC(CC)[NH2+]CC[C@H](CO)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000725267660 570541123 /nfs/dbraw/zinc/54/11/23/570541123.db2.gz PYYGODSFTUGENK-LZLYRXPVSA-N 1 0 356.551 3.656 10 0 FHAERO CCC(CC)[NH2+]CC[C@H](CO)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000725267661 570541130 /nfs/dbraw/zinc/54/11/30/570541130.db2.gz PYYGODSFTUGENK-NUJGCVRESA-N 1 0 356.551 3.656 10 0 FHAERO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@]31CCc2cc(OC)c(OC)cc21 ZINC000008730441 570686191 /nfs/dbraw/zinc/68/61/91/570686191.db2.gz VYWPXKNSMWACNT-QFIPXVFZSA-N 1 0 364.445 3.529 10 0 FHAERO CC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982807 570865865 /nfs/dbraw/zinc/86/58/65/570865865.db2.gz PUPIPBSVKMXEEU-VQTJNVASSA-N 1 0 356.441 3.592 10 0 FHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000190435538 571043328 /nfs/dbraw/zinc/04/33/28/571043328.db2.gz XOFPCNNIDWZDMU-HZEGPAAWSA-N 1 0 374.573 3.756 10 0 FHAERO CCCC[N@H+](CC)CCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1 ZINC000004908261 571078575 /nfs/dbraw/zinc/07/85/75/571078575.db2.gz JLRONADJAYTGPF-UHFFFAOYSA-N 1 0 369.465 3.841 10 0 FHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000190425080 571204333 /nfs/dbraw/zinc/20/43/33/571204333.db2.gz QOVJEJFIUHHZFF-HKUYNNGSSA-N 1 0 355.482 3.626 10 0 FHAERO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2noc3c2CCCC3)cc1 ZINC000077358523 571209141 /nfs/dbraw/zinc/20/91/41/571209141.db2.gz LYIULNGUNUNTFX-LJQANCHMSA-N 1 0 367.493 3.982 10 0 FHAERO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COC(C)C)cc1 ZINC000036101909 571241870 /nfs/dbraw/zinc/24/18/70/571241870.db2.gz JJOZDZWSUOYWLN-HXUWFJFHSA-N 1 0 371.477 3.512 10 0 FHAERO Cc1noc(C)c1[C@H](C)C(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328624205 571324610 /nfs/dbraw/zinc/32/46/10/571324610.db2.gz CGNFERFXEXUWKB-SUMWQHHRSA-N 1 0 373.522 3.627 10 0 FHAERO COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328653877 571326103 /nfs/dbraw/zinc/32/61/03/571326103.db2.gz XBEVDBKWCMZCOV-UONOGXRCSA-N 1 0 367.415 3.694 10 0 FHAERO CCC(CC)[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2=O ZINC000012596805 220012156 /nfs/dbraw/zinc/01/21/56/220012156.db2.gz XGHWCYAIRKMNSA-NRFANRHFSA-N 1 0 362.489 3.837 10 0 FHAERO O=C(Nc1cccc(-c2ccco2)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000012746861 220023431 /nfs/dbraw/zinc/02/34/31/220023431.db2.gz RZXJAESUOMVCGJ-UHFFFAOYSA-N 1 0 354.450 3.776 10 0 FHAERO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCCO ZINC000013730783 220090702 /nfs/dbraw/zinc/09/07/02/220090702.db2.gz VUPFTWJKMHEYFK-PFAOJVKKSA-N 1 0 359.510 3.761 10 0 FHAERO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+]1CCCCCC1)C2 ZINC000014540496 220126271 /nfs/dbraw/zinc/12/62/71/220126271.db2.gz ULOGTVNZZLSFIX-SFHVURJKSA-N 1 0 372.557 3.508 10 0 FHAERO [NH3+][C@H](c1ccc(I)cc1)c1c(F)cc(F)cc1F ZINC000020480486 220329374 /nfs/dbraw/zinc/32/93/74/220329374.db2.gz QMZHEMWGIDOSTJ-CYBMUJFWSA-N 1 0 363.120 3.757 10 0 FHAERO CN1CCc2c(sc3c2C[NH2+][C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000020865069 220343085 /nfs/dbraw/zinc/34/30/85/220343085.db2.gz WMSUOPQIAKGBIG-IBGZPJMESA-N 1 0 353.466 3.858 10 0 FHAERO c1cc(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)n(-c2ccccn2)c1 ZINC000020911268 220345533 /nfs/dbraw/zinc/34/55/33/220345533.db2.gz UUSKQTVIQULQCC-QFIPXVFZSA-N 1 0 372.516 3.895 10 0 FHAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]c2c(cc(Cl)cc2Cl)c1OC ZINC000033607358 220746452 /nfs/dbraw/zinc/74/64/52/220746452.db2.gz SXWSYDKHTJVSSA-LLVKDONJSA-N 1 0 370.280 3.697 10 0 FHAERO CCC(=O)N1C[C@H](C[NH+]2CCCC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034697862 220760500 /nfs/dbraw/zinc/76/05/00/220760500.db2.gz RZQIAUGPJPTWIE-RDJZCZTQSA-N 1 0 354.416 3.753 10 0 FHAERO C[NH2+]Cc1ccc(Br)cc1-n1nc(C)c(Br)c1C ZINC000050593821 221032608 /nfs/dbraw/zinc/03/26/08/221032608.db2.gz QPSNEMOAQYLKIA-UHFFFAOYSA-N 1 0 373.092 3.734 10 0 FHAERO COc1c(C)cc([C@H](C(=O)[O-])[N@H+](C)Cc2ccccc2C[NH+](C)C)cc1C ZINC000055155108 221060456 /nfs/dbraw/zinc/06/04/56/221060456.db2.gz MTXVCQNATYJIDK-HXUWFJFHSA-N 1 0 370.493 3.631 10 0 FHAERO Cc1c([C@@H](C)[NH2+]Cc2cccc3nonc32)cnn1-c1cccc(F)c1 ZINC000055053034 221057455 /nfs/dbraw/zinc/05/74/55/221057455.db2.gz LNAPCNZAGPAEFV-GFCCVEGCSA-N 1 0 351.385 3.707 10 0 FHAERO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3cccc4nonc43)c2C)cc1 ZINC000059418149 221126840 /nfs/dbraw/zinc/12/68/40/221126840.db2.gz UAMVAOMGJDBMOR-ZDUSSCGKSA-N 1 0 363.421 3.576 10 0 FHAERO CC(C)C[N@@H+]1CCCC[C@@H]1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000065590765 221234418 /nfs/dbraw/zinc/23/44/18/221234418.db2.gz WPAHBXBBQYFHRO-HXUWFJFHSA-N 1 0 366.509 3.689 10 0 FHAERO CC[NH+]1CCN(CCOc2ccccc2-c2nc3cc(C)ccc3[nH]2)CC1 ZINC000067604296 221262403 /nfs/dbraw/zinc/26/24/03/221262403.db2.gz QNGNTPLSHLVWLO-UHFFFAOYSA-N 1 0 364.493 3.555 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)c(C(F)(F)F)c2)[C@@H]([NH3+])C1 ZINC000071790621 221375855 /nfs/dbraw/zinc/37/58/55/221375855.db2.gz INWRFRNRBLUBNC-RISCZKNCSA-N 1 0 362.367 3.896 10 0 FHAERO CCc1noc(-c2cccc(NC(=O)c3ccccc3[C@H]3CC[NH2+]C3)c2)n1 ZINC000072170269 221447176 /nfs/dbraw/zinc/44/71/76/221447176.db2.gz XYNXLHZNGLSECE-HNNXBMFYSA-N 1 0 362.433 3.628 10 0 FHAERO Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCC([NH3+])CC2)c1C ZINC000073663220 132376698 /nfs/dbraw/zinc/37/66/98/132376698.db2.gz SBGCHLPNFWACCF-UHFFFAOYSA-N 1 0 350.388 3.707 10 0 FHAERO CCCc1cc(N2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073662836 132376730 /nfs/dbraw/zinc/37/67/30/132376730.db2.gz ITHRGXDZMGWBSH-UHFFFAOYSA-N 1 0 350.388 3.525 10 0 FHAERO Cc1cc2[nH]c(C(=O)Nc3ccc4c(c3)OCCO4)c(C[NH+](C)C)c2s1 ZINC000097096661 222158485 /nfs/dbraw/zinc/15/84/85/222158485.db2.gz PKFSORBNKRWTCT-UHFFFAOYSA-N 1 0 371.462 3.623 10 0 FHAERO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)cc1 ZINC000019800522 519716591 /nfs/dbraw/zinc/71/65/91/519716591.db2.gz BCCBUFLSYSHVFE-HSZRJFAPSA-N 1 0 366.505 3.852 10 0 FHAERO Cc1cccc(N2CC[NH+](C/C=C/c3ccc4c(c3)CCC(=O)N4)CC2)c1 ZINC000033984447 524552262 /nfs/dbraw/zinc/55/22/62/524552262.db2.gz KZQKLDVPEILOPW-HWKANZROSA-N 1 0 361.489 3.715 10 0 FHAERO Cc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccncc3)n2)cc1 ZINC000073684271 525817931 /nfs/dbraw/zinc/81/79/31/525817931.db2.gz LGCDZYIOTXYUJJ-UHFFFAOYSA-N 1 0 359.477 3.926 10 0 FHAERO CSc1nnc(C2CC[NH2+]CC2)n1-c1ccc(Br)c(C)c1 ZINC000229001963 526226687 /nfs/dbraw/zinc/22/66/87/526226687.db2.gz ZDHRVSGXDNMAAI-UHFFFAOYSA-N 1 0 367.316 3.527 10 0 FHAERO Cc1nc(C)c(C[NH+]2CCC3(C[C@H]3N(C)Cc3nccs3)CC2)s1 ZINC000275767388 526715906 /nfs/dbraw/zinc/71/59/06/526715906.db2.gz RCTKXYUBFGNLQC-MRXNPFEDSA-N 1 0 362.568 3.703 10 0 FHAERO CCOCC[N@@H+]1CCN(CCCOc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000106110654 568645571 /nfs/dbraw/zinc/64/55/71/568645571.db2.gz ZYFNWBMCXYZWND-INIZCTEOSA-N 1 0 374.447 3.517 10 0 FHAERO O=C(N[C@@H]1CCC[NH2+]C[C@H]1F)OCC1c2ccccc2-c2ccccc21 ZINC000725262087 570526741 /nfs/dbraw/zinc/52/67/41/570526741.db2.gz UWSBXSGYRGPLDO-WOJBJXKFSA-N 1 0 354.425 3.615 10 0 FHAERO O=C(N[C@H]1CCC[NH2+]C[C@H]1F)OCC1c2ccccc2-c2ccccc21 ZINC000725262085 570526792 /nfs/dbraw/zinc/52/67/92/570526792.db2.gz UWSBXSGYRGPLDO-UXHICEINSA-N 1 0 354.425 3.615 10 0 FHAERO CCC(CC)[NH2+]CC[C@H](CO)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000725267659 570541007 /nfs/dbraw/zinc/54/10/07/570541007.db2.gz PYYGODSFTUGENK-JZXOWHBKSA-N 1 0 356.551 3.656 10 0 FHAERO CSCCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000012001572 570714030 /nfs/dbraw/zinc/71/40/30/570714030.db2.gz VTMGVDGANWKULL-IBGZPJMESA-N 1 0 368.493 3.532 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2ccc(Br)cc2)C1 ZINC000675053165 571149289 /nfs/dbraw/zinc/14/92/89/571149289.db2.gz GYYNSSJQZLQWMN-KGLIPLIRSA-N 1 0 355.276 3.767 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2ccc(Br)cc2)C1 ZINC000675053166 571149335 /nfs/dbraw/zinc/14/93/35/571149335.db2.gz GYYNSSJQZLQWMN-UONOGXRCSA-N 1 0 355.276 3.767 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2cc(F)ccc2Br)C1 ZINC000675053969 571157925 /nfs/dbraw/zinc/15/79/25/571157925.db2.gz LAZQOYCUOZTBOZ-BXUZGUMPSA-N 1 0 373.266 3.906 10 0 FHAERO C[NH2+]Cc1cc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)ccc1OC ZINC000072418759 571160481 /nfs/dbraw/zinc/16/04/81/571160481.db2.gz NWBSRBZIZIURFC-UHFFFAOYSA-N 1 0 373.460 3.965 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccc(F)cc1Br ZINC000675054795 571176027 /nfs/dbraw/zinc/17/60/27/571176027.db2.gz PHTCCAUOOVJXLI-RISCZKNCSA-N 1 0 373.266 3.988 10 0 FHAERO Cc1sc2cc(C(=O)NCc3ccccn3)[nH]c2c1C[NH+]1CCCCC1 ZINC000075487433 571188923 /nfs/dbraw/zinc/18/89/23/571188923.db2.gz UOERYPWBRJMHKG-UHFFFAOYSA-N 1 0 368.506 3.849 10 0 FHAERO COCCC[N@@H+](Cc1ccsc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036031401 571239135 /nfs/dbraw/zinc/23/91/35/571239135.db2.gz HKFRKLRJGOFFPV-QGZVFWFLSA-N 1 0 369.914 3.680 10 0 FHAERO COc1cccc(N(C(C)=O)C2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000037560099 571288036 /nfs/dbraw/zinc/28/80/36/571288036.db2.gz WPRFOMCWSRXHGI-UHFFFAOYSA-N 1 0 368.477 3.721 10 0 FHAERO C[NH+](C)C[C@@H]1C[C@@H](OCc2ccccc2)CC[C@@]1(O)c1cccc(O)c1 ZINC000141638650 571309337 /nfs/dbraw/zinc/30/93/37/571309337.db2.gz UFSJBZXEOLDRCN-ILWGZMRPSA-N 1 0 355.478 3.527 10 0 FHAERO Oc1ccc(CC[NH2+]C[C@H](c2ccc(O)cc2)C2(O)CCCCC2)cc1 ZINC000077291472 571320933 /nfs/dbraw/zinc/32/09/33/571320933.db2.gz UMYJDHWHTKQULQ-OAQYLSRUSA-N 1 0 355.478 3.709 10 0 in-vitro FHAERO CC(C)(C)N1C[C@@H](c2ccccc2C(F)(F)F)[C@]2(CCC[NH2+]C2)C1=O ZINC000216087546 222658356 /nfs/dbraw/zinc/65/83/56/222658356.db2.gz AOJRBUQQNMGHJJ-MAUKXSAKSA-N 1 0 354.416 3.800 10 0 FHAERO [NH3+]CCCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn21 ZINC000004980553 219633426 /nfs/dbraw/zinc/63/34/26/219633426.db2.gz UQNIDLOOEZFNBT-UHFFFAOYSA-N 1 0 361.424 3.963 10 0 FHAERO C[NH+](C)Cc1ccccc1Oc1ccc(I)cc1N ZINC000013584118 220077543 /nfs/dbraw/zinc/07/75/43/220077543.db2.gz FXPKVPDERQMXMV-UHFFFAOYSA-N 1 0 368.218 3.727 10 0 FHAERO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]C1CCCCCCC1)C2 ZINC000014732643 220131285 /nfs/dbraw/zinc/13/12/85/220131285.db2.gz FMYBKADHZBNDOC-SFHVURJKSA-N 1 0 374.573 3.801 10 0 FHAERO CCCC[N@H+](C)[C@H]1CCc2c(c(C(=O)N3CCCCCC3)nn2CC)C1 ZINC000014746614 220132362 /nfs/dbraw/zinc/13/23/62/220132362.db2.gz ABQKRIIYEBGPPB-KRWDZBQOSA-N 1 0 360.546 3.508 10 0 FHAERO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](C4CCCCC4)C3)C2=O)c1 ZINC000015073664 220145557 /nfs/dbraw/zinc/14/55/57/220145557.db2.gz BSBKEJLKHBDAQT-JOCHJYFZSA-N 1 0 374.500 3.982 10 0 FHAERO Cc1cc(Oc2ccc(NC(=O)C3CC3)cc2)cc(C2CC[NH2+]CC2)n1 ZINC000019570449 220273634 /nfs/dbraw/zinc/27/36/34/220273634.db2.gz JPTLAAMAEUANOD-UHFFFAOYSA-N 1 0 351.450 3.998 10 0 FHAERO COc1cc([C@H]2[NH2+][C@H](C)Cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000020572556 220332879 /nfs/dbraw/zinc/33/28/79/220332879.db2.gz CNUHJGQYBHUQKW-CWTRNNRKSA-N 1 0 352.434 3.817 10 0 FHAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1I)c1ccc(F)cc1 ZINC000042942499 220943151 /nfs/dbraw/zinc/94/31/51/220943151.db2.gz FCAVMYACJLWAMT-BMIGLBTASA-N 1 0 371.193 3.898 10 0 FHAERO Brc1ccc(Br)c(N2CC[C@H](C[NH2+]C3CC3)C2)c1 ZINC000053031694 221041350 /nfs/dbraw/zinc/04/13/50/221041350.db2.gz XAWWKKMMHUVTHC-SNVBAGLBSA-N 1 0 374.120 3.790 10 0 FHAERO Cn1nc(CN(CC[NH+](C)C)Cc2ccsc2)c2c1cccc2Cl ZINC000055369018 221067792 /nfs/dbraw/zinc/06/77/92/221067792.db2.gz DHHGHBSNJZCFET-UHFFFAOYSA-N 1 0 362.930 3.852 10 0 FHAERO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1-c1cnc(-c2cccnc2)nc1C ZINC000065387488 221208642 /nfs/dbraw/zinc/20/86/42/221208642.db2.gz YQAQIYAKFCEEPD-UHFFFAOYSA-N 1 0 371.448 3.922 10 0 FHAERO CC(C)(C)OC(=O)N1C(=O)OC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000299890210 132301048 /nfs/dbraw/zinc/30/10/48/132301048.db2.gz VXQWLDVQABHPRG-UHFFFAOYSA-N 1 0 352.818 3.810 10 0 FHAERO [NH3+]C1CCN(c2cc(-c3cccnc3)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000073663252 132376729 /nfs/dbraw/zinc/37/67/29/132376729.db2.gz RFIYNCZDXHJKHT-UHFFFAOYSA-N 1 0 365.868 3.787 10 0 FHAERO CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000001847953 132382613 /nfs/dbraw/zinc/38/26/13/132382613.db2.gz FYNONADAFDXUOK-IBGZPJMESA-N 1 0 357.885 3.930 10 0 FHAERO Cc1nnc(-c2cccc(N3CCC([NH2+][C@@H]4CCSC4)CC3)c2)s1 ZINC000023580980 136153100 /nfs/dbraw/zinc/15/31/00/136153100.db2.gz VPGCLPMOJCXZHO-MRXNPFEDSA-N 1 0 360.552 3.577 10 0 FHAERO CCc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000073684116 221566289 /nfs/dbraw/zinc/56/62/89/221566289.db2.gz GICUPGVUOSFAPJ-AWEZNQCLSA-N 1 0 350.388 3.571 10 0 FHAERO c1c(-c2ccccc2)nc2n1C[C@H](C[NH2+]Cc1ccc3ccccc3n1)OC2 ZINC000096269383 222107057 /nfs/dbraw/zinc/10/70/57/222107057.db2.gz RYUYJWKHQLDRNA-FQEVSTJZSA-N 1 0 370.456 3.787 10 0 FHAERO Fc1cccc(C[N@@H+]2CCC[C@]3(C[C@H](CNc4ccccn4)CO3)C2)c1 ZINC000096228509 222090124 /nfs/dbraw/zinc/09/01/24/222090124.db2.gz IXXHVEIZXKUQTE-NQIIRXRSSA-N 1 0 355.457 3.704 10 0 FHAERO COC(=O)c1ccc(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+](C)C)cc1 ZINC000096363846 222117373 /nfs/dbraw/zinc/11/73/73/222117373.db2.gz MPPIRZJXEDDVME-UHFFFAOYSA-N 1 0 371.462 3.638 10 0 FHAERO Fc1cccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccccn3)n2)c1 ZINC000073684295 526381374 /nfs/dbraw/zinc/38/13/74/526381374.db2.gz CQEIOKVZPDXZCJ-UHFFFAOYSA-N 1 0 363.440 3.756 10 0 FHAERO Fc1cccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3ccccn3)n2)c1 ZINC000073684784 526381842 /nfs/dbraw/zinc/38/18/42/526381842.db2.gz GNCGPNQODQBMOG-HNNXBMFYSA-N 1 0 363.440 3.756 10 0 FHAERO CCn1ncc(C[N@H+](C)Cc2ccc(OCc3ccccn3)cc2)c1C ZINC000215817825 568090428 /nfs/dbraw/zinc/09/04/28/568090428.db2.gz SLZFTELGLTXUPR-UHFFFAOYSA-N 1 0 350.466 3.817 10 0 FHAERO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@]31CCc2cc(OC)c(OC)cc21 ZINC000008730442 570686165 /nfs/dbraw/zinc/68/61/65/570686165.db2.gz VYWPXKNSMWACNT-JOCHJYFZSA-N 1 0 364.445 3.529 10 0 FHAERO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000583618781 570808193 /nfs/dbraw/zinc/80/81/93/570808193.db2.gz ITURVJFKKLWDJG-URVUXULASA-N 1 0 359.510 3.760 10 0 FHAERO CC(C)c1cnc(CN(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000262153447 571083269 /nfs/dbraw/zinc/08/32/69/571083269.db2.gz RMMFHDBOZKKPFU-HNNXBMFYSA-N 1 0 362.568 3.867 10 0 FHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2Br)C1 ZINC000675055142 571176544 /nfs/dbraw/zinc/17/65/44/571176544.db2.gz QKMCOBSEXQCKED-BXUZGUMPSA-N 1 0 373.266 3.906 10 0 FHAERO CC(C)n1cc([C@H]2[NH2+]CC23CCN(C(=O)OCc2ccccc2)CC3)cn1 ZINC000536961083 571208599 /nfs/dbraw/zinc/20/85/99/571208599.db2.gz WWCSZXXQYYPFTR-LJQANCHMSA-N 1 0 368.481 3.527 10 0 FHAERO CC(=O)N(Cc1cncnc1)[C@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC000328632955 571325438 /nfs/dbraw/zinc/32/54/38/571325438.db2.gz LPYOXDVNHYBMEE-GCJKJVERSA-N 1 0 366.509 3.749 10 0 FHAERO c1cc(CN(Cc2nc3c(s2)CCC3)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000328639457 571325680 /nfs/dbraw/zinc/32/56/80/571325680.db2.gz PNIZCAQCFITKIY-KRWDZBQOSA-N 1 0 359.564 3.838 10 0 FHAERO O=C(CC[C@@H]1CCC[N@@H+](C2CCOCC2)C1)NCc1ccccc1Cl ZINC000012476112 220000301 /nfs/dbraw/zinc/00/03/01/220000301.db2.gz VYMAQMQMSBMIRZ-INIZCTEOSA-N 1 0 364.917 3.627 10 0 FHAERO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2)C[C@H]1C ZINC000013743328 220092496 /nfs/dbraw/zinc/09/24/96/220092496.db2.gz FRPRNNRJTCONEC-QIJUGHKUSA-N 1 0 366.505 3.874 10 0 in-man FHAERO C[NH+](C)C[C@@H](NCc1cc(Br)ccc1F)c1ccccc1 ZINC000020545559 220334094 /nfs/dbraw/zinc/33/40/94/220334094.db2.gz WXDDLLMVWTYGQR-QGZVFWFLSA-N 1 0 351.263 3.981 10 0 FHAERO Cc1nc2cc(-c3nc(-c4c(C)ncc5c4CC[NH2+]C5)no3)ccc2s1 ZINC000020780122 220342138 /nfs/dbraw/zinc/34/21/38/220342138.db2.gz IGZFEXROWVIPHW-UHFFFAOYSA-N 1 0 363.446 3.671 10 0 FHAERO [NH3+]C[C@@H](Oc1cccc(I)c1)c1cccc(F)c1 ZINC000042974101 220943673 /nfs/dbraw/zinc/94/36/73/220943673.db2.gz OLGWOQCMXMWYQA-CQSZACIVSA-N 1 0 357.166 3.509 10 0 FHAERO Cc1ccccc1[C@@H](C[NH3+])Oc1ccccc1I ZINC000043040229 220944485 /nfs/dbraw/zinc/94/44/85/220944485.db2.gz PYDAJNPUCPGZRT-OAHLLOKOSA-N 1 0 353.203 3.678 10 0 FHAERO O=c1cc(-c2ccccc2)nc(-c2ccccc2C[NH+]2CCSCC2)[nH]1 ZINC000048345592 221008603 /nfs/dbraw/zinc/00/86/03/221008603.db2.gz NSTCYDJFLLOHTG-UHFFFAOYSA-N 1 0 363.486 3.653 10 0 FHAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cc(Br)ccc1Br ZINC000054628992 221054619 /nfs/dbraw/zinc/05/46/19/221054619.db2.gz CCKKOTCALOSCTM-YOGCLGLASA-N 1 0 374.120 3.931 10 0 FHAERO C[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccc3ccccc31)N[C@]2(CO)c1ccccc1 ZINC000065382156 221207176 /nfs/dbraw/zinc/20/71/76/221207176.db2.gz YMHMYUYWVASCDG-UEQSERJNSA-N 1 0 358.485 3.550 10 0 FHAERO CCNc1ncc(C[N@@H+]2CCC[C@@]3(C=Cc4ccccc4O3)CC2)cn1 ZINC000065461642 221221506 /nfs/dbraw/zinc/22/15/06/221221506.db2.gz VRGRNCQQSHIVBV-OAQYLSRUSA-N 1 0 350.466 3.739 10 0 FHAERO Cc1ccc(-c2nc(NCC[NH+]3CCCC3)ncc2-c2ccc(N)nc2)cc1 ZINC000065489902 221224332 /nfs/dbraw/zinc/22/43/32/221224332.db2.gz MGLBMPYWVNRECY-UHFFFAOYSA-N 1 0 374.492 3.604 10 0 FHAERO Cc1ccc2[nH]c(=O)c(C[N@H+](C)Cc3cc(-c4ccccn4)no3)cc2c1 ZINC000067758244 221281681 /nfs/dbraw/zinc/28/16/81/221281681.db2.gz KNOYSHTYIZYSBR-UHFFFAOYSA-N 1 0 360.417 3.519 10 0 FHAERO Cc1c2cc(Cl)ccc2[nH]c1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000012438520 132857588 /nfs/dbraw/zinc/85/75/88/132857588.db2.gz WXGILPCMKHCNLA-HNNXBMFYSA-N 1 0 355.873 3.678 10 0 FHAERO Fc1ccc(C2=CCN(c3nc(-c4ccncc4)nc4c3C[NH2+]C4)CC2)cc1 ZINC000072158388 136143108 /nfs/dbraw/zinc/14/31/08/136143108.db2.gz WOPVZFYCLLKEQU-UHFFFAOYSA-N 1 0 373.435 3.575 10 0 FHAERO COc1cc(C[N@@H+]2CCCC23CCN(c2ccc(C)nn2)CC3)ccc1F ZINC000072423712 136146196 /nfs/dbraw/zinc/14/61/96/136146196.db2.gz HLNVUNBYIIKGFB-UHFFFAOYSA-N 1 0 370.472 3.568 10 0 FHAERO Clc1ccc(-c2nc(-c3cccnc3)cc(N3CCC[NH2+]CC3)n2)cc1 ZINC000073663476 221565505 /nfs/dbraw/zinc/56/55/05/221565505.db2.gz ZHAASUOOCNZEIE-UHFFFAOYSA-N 1 0 365.868 3.659 10 0 FHAERO Oc1ccc(CNN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000098180659 222230569 /nfs/dbraw/zinc/23/05/69/222230569.db2.gz GPRHFRNKCUHMPX-UHFFFAOYSA-N 1 0 373.500 3.804 10 0 FHAERO C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1cccc(Br)c1 ZINC000038012578 263399447 /nfs/dbraw/zinc/39/94/47/263399447.db2.gz IBGRXQYDGQNUAG-LLVKDONJSA-N 1 0 351.219 3.878 10 0 FHAERO Cc1csc(C[N@@H+](C)[C@H]2CCC(=O)N(Cc3ccccc3C)CC2)n1 ZINC000020254560 526342281 /nfs/dbraw/zinc/34/22/81/526342281.db2.gz NUFRZVHOKGNWRF-SFHVURJKSA-N 1 0 357.523 3.773 10 0 FHAERO Fc1ccccc1-c1nc(NCC2CC[NH2+]CC2)cc(-c2cccnc2)n1 ZINC000073684309 526407226 /nfs/dbraw/zinc/40/72/26/526407226.db2.gz PTKZTJNECZONDG-UHFFFAOYSA-N 1 0 363.440 3.756 10 0 FHAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@@H](CO)CC[NH2+]C1CCCCC1 ZINC000725266721 570540165 /nfs/dbraw/zinc/54/01/65/570540165.db2.gz ACKSHTAXUCPVGC-LMMKCTJWSA-N 1 0 368.562 3.800 10 0 FHAERO CCOC(=O)C1(c2ccccc2)CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000004214141 570581312 /nfs/dbraw/zinc/58/13/12/570581312.db2.gz IPOPQVVNCFQFRK-NRFANRHFSA-N 1 0 367.489 3.707 10 0 in-man FHAERO O=C([O-])c1ccc(C[NH+]2CCC(C[NH2+][C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000147144610 570624189 /nfs/dbraw/zinc/62/41/89/570624189.db2.gz LRULVYSBRWUVGR-YADHBBJMSA-N 1 0 364.489 3.743 10 0 FHAERO Cc1oc(-c2cccs2)nc1CNc1cc(C2CC[NH2+]CC2)ncn1 ZINC000039437815 571064651 /nfs/dbraw/zinc/06/46/51/571064651.db2.gz FFFOSSBJDBGTBF-UHFFFAOYSA-N 1 0 355.467 3.581 10 0 FHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2ccc(Br)cc2F)C1 ZINC000675055168 571176557 /nfs/dbraw/zinc/17/65/57/571176557.db2.gz QSYUEZBXGLJRNO-FZMZJTMJSA-N 1 0 373.266 3.906 10 0 FHAERO COc1cccc([C@]2(O)CC[C@@H](OCc3ccccc3)C[C@H]2C[NH+](C)C)c1 ZINC000141640245 571309323 /nfs/dbraw/zinc/30/93/23/571309323.db2.gz YCASJHUVYASQDJ-MDNUFGMLSA-N 1 0 369.505 3.830 10 0 FHAERO CC(=O)N(Cc1cncnc1)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000328632956 571325383 /nfs/dbraw/zinc/32/53/83/571325383.db2.gz LPYOXDVNHYBMEE-PGRDOPGGSA-N 1 0 366.509 3.749 10 0 FHAERO COc1ccc([C@@H](CNC(=O)CSc2ccccc2C)[NH+](C)C)cc1 ZINC000003454055 571349949 /nfs/dbraw/zinc/34/99/49/571349949.db2.gz LZTIBBXIOUQBGU-GOSISDBHSA-N 1 0 358.507 3.515 10 0 FHAERO C[NH+](C)CCCNC(=O)c1c2ccccc2n(-c2ccccc2)c1Cl ZINC000211835151 222634583 /nfs/dbraw/zinc/63/45/83/222634583.db2.gz RUDYTCZPFLLMNW-UHFFFAOYSA-N 1 0 355.869 3.965 10 0 FHAERO CCc1ncc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000012712684 220021638 /nfs/dbraw/zinc/02/16/38/220021638.db2.gz NMEWITNUYDQTAS-JOCHJYFZSA-N 1 0 368.500 3.666 10 0 FHAERO Fc1ccc(-c2cnnc(NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000012708822 220019677 /nfs/dbraw/zinc/01/96/77/220019677.db2.gz WEWQEENVBDVLJV-KRWDZBQOSA-N 1 0 363.440 3.612 10 0 FHAERO COCC[N@@H+]1CCC[C@]2(CCN(Cc3ccc(OC4CCCC4)cc3)C2)C1 ZINC000015071205 220145538 /nfs/dbraw/zinc/14/55/38/220145538.db2.gz KMLUFYAXSDKKGD-QHCPKHFHSA-N 1 0 372.553 3.942 10 0 FHAERO COc1cc2cccnc2c(NC[C@@](C)(O)C[N@@H+]2CC[C@H](C)C[C@@H]2C)c1 ZINC000016982917 220201134 /nfs/dbraw/zinc/20/11/34/220201134.db2.gz ASNCKFJWFVCYMZ-CKJXQJPGSA-N 1 0 357.498 3.527 10 0 FHAERO Fc1cccc(Oc2cc([C@H]3CCC[NH2+]C3)nc(-c3ccncc3)n2)c1 ZINC000019294274 220250162 /nfs/dbraw/zinc/25/01/62/220250162.db2.gz ZJGVYQXYGBOOLQ-HNNXBMFYSA-N 1 0 350.397 3.937 10 0 FHAERO Clc1cccc(-c2ccc(C[N@@H+]3CCC[C@H](N4CCOCC4)C3)o2)c1 ZINC000019743212 220291080 /nfs/dbraw/zinc/29/10/80/220291080.db2.gz NUMGVQONJSHELV-SFHVURJKSA-N 1 0 360.885 3.897 10 0 FHAERO CC(C)CCc1n[nH]c2c1C[N@@H+]([C@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000020209361 220319140 /nfs/dbraw/zinc/31/91/40/220319140.db2.gz UULGHTSXDVJGSV-SFHVURJKSA-N 1 0 356.489 3.774 10 0 FHAERO O=C(Nc1c(Cl)cc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC000020505981 220330805 /nfs/dbraw/zinc/33/08/05/220330805.db2.gz WSJFMFMIJSDMJC-UHFFFAOYSA-N 1 0 352.059 3.694 10 0 FHAERO O=S(=O)(c1cn(CC2CC[NH2+]CC2)c2cc(F)ccc12)c1ccccc1 ZINC000038495560 220853093 /nfs/dbraw/zinc/85/30/93/220853093.db2.gz FXHOGKVQWMHYON-UHFFFAOYSA-N 1 0 372.465 3.613 10 0 FHAERO C[N@@H+]1CCC[C@H](CNc2cc(Br)ccc2Br)C1 ZINC000054242311 221050907 /nfs/dbraw/zinc/05/09/07/221050907.db2.gz OFVWJDXWHXNSMY-SNVBAGLBSA-N 1 0 362.109 3.965 10 0 FHAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1Br ZINC000061270410 221133885 /nfs/dbraw/zinc/13/38/85/221133885.db2.gz SHXMYNAEXKNTEM-QMMMGPOBSA-N 1 0 364.081 3.538 10 0 FHAERO Oc1cccc2ccc(C[N@H+](CCCn3ccnc3)Cc3cccnc3)nc12 ZINC000063870125 221143825 /nfs/dbraw/zinc/14/38/25/221143825.db2.gz BBVCJMKYJRUWIZ-UHFFFAOYSA-N 1 0 373.460 3.624 10 0 FHAERO CC[N@@H+]1CCC[C@H](c2c(-c3ccccc3)ncn2Cc2csc(N)n2)C1 ZINC000065500135 221227515 /nfs/dbraw/zinc/22/75/15/221227515.db2.gz CSVZPXFRQSNGLH-INIZCTEOSA-N 1 0 367.522 3.836 10 0 FHAERO C[C@H](NC(=O)[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000069741164 221327193 /nfs/dbraw/zinc/32/71/93/221327193.db2.gz RLPNAROFMSFAIH-NPPFBWRTSA-N 1 0 365.521 3.576 10 0 FHAERO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000072026497 221396880 /nfs/dbraw/zinc/39/68/80/221396880.db2.gz SRMWBGBZHBAVAW-QGZVFWFLSA-N 1 0 359.539 3.748 10 0 FHAERO c1coc(-c2ccc(N3CCC([NH2+]CCCn4ccnc4)CC3)cc2)c1 ZINC000095531245 132304528 /nfs/dbraw/zinc/30/45/28/132304528.db2.gz BKWAJICXUDQSTQ-UHFFFAOYSA-N 1 0 350.466 3.792 10 0 FHAERO O=C(Nc1ccccc1Br)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033128908 136117510 /nfs/dbraw/zinc/11/75/10/136117510.db2.gz JZGLAJOHTDIUKS-UHFFFAOYSA-N 1 0 360.255 3.699 10 0 FHAERO Cc1c(C(=O)NCc2ccccc2)oc2cccc(OC3CC[NH2+]CC3)c12 ZINC000095553797 221960306 /nfs/dbraw/zinc/96/03/06/221960306.db2.gz DPWZRKPXAIRZCH-UHFFFAOYSA-N 1 0 364.445 3.802 10 0 FHAERO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccc(C)cc2)C3)cc1 ZINC000096269245 222107622 /nfs/dbraw/zinc/10/76/22/222107622.db2.gz NDMLQMQZJIQOPL-FQEVSTJZSA-N 1 0 363.461 3.556 10 0 FHAERO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(C)n1-c1nccs1 ZINC000097285740 222172282 /nfs/dbraw/zinc/17/22/82/222172282.db2.gz UEHCGJSABBTODA-SFHVURJKSA-N 1 0 368.506 3.583 10 0 FHAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000097394645 222179223 /nfs/dbraw/zinc/17/92/23/222179223.db2.gz VAAMLPZZNGLHNQ-CRAIPNDOSA-N 1 0 359.518 3.536 10 0 FHAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)C2 ZINC000100243896 222239227 /nfs/dbraw/zinc/23/92/27/222239227.db2.gz KWPWPDLRHPHSLD-QDMKHBRRSA-N 1 0 373.349 3.968 10 0 FHAERO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cccc2)cc1 ZINC000106109630 222382411 /nfs/dbraw/zinc/38/24/11/222382411.db2.gz MSGZKSQKXZDRTD-NRFANRHFSA-N 1 0 359.473 3.872 10 0 FHAERO COc1cccc(CN2CCC[C@H]([NH2+]Cc3csc(C(C)=O)c3)C2)c1 ZINC000020915232 525941671 /nfs/dbraw/zinc/94/16/71/525941671.db2.gz GPVVFRWZQSOUCD-SFHVURJKSA-N 1 0 358.507 3.714 10 0 FHAERO Fc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3cccnc3)n2)cc1 ZINC000073684413 526316871 /nfs/dbraw/zinc/31/68/71/526316871.db2.gz QLTVZRCHKKCNOX-UHFFFAOYSA-N 1 0 363.440 3.756 10 0 FHAERO Fc1cccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccccn3)n2)c1 ZINC000073684782 526381754 /nfs/dbraw/zinc/38/17/54/526381754.db2.gz GNCGPNQODQBMOG-OAHLLOKOSA-N 1 0 363.440 3.756 10 0 FHAERO Fc1ccccc1-c1nc(NC[C@@H]2CCC[NH2+]C2)cc(-c2ccncc2)n1 ZINC000073684801 526407602 /nfs/dbraw/zinc/40/76/02/526407602.db2.gz ZDTOUOUJMFKVPT-OAHLLOKOSA-N 1 0 363.440 3.756 10 0 FHAERO CCOC(=O)C1=CC2=C3[C@H]4N1c1ccccc1[C@@]4(CC)CC[N@@H+]3CCC2 ZINC000334163019 528618404 /nfs/dbraw/zinc/61/84/04/528618404.db2.gz UOGHMAVLVKHQAS-IFMALSPDSA-N 1 0 350.462 3.737 10 0 FHAERO COc1ccc(F)c(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)c1OC ZINC000188520662 567856043 /nfs/dbraw/zinc/85/60/43/567856043.db2.gz ZMEOFVXTDYLQAV-CYBMUJFWSA-N 1 0 369.396 3.520 10 0 FHAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000186366267 567908535 /nfs/dbraw/zinc/90/85/35/567908535.db2.gz WUWPNTRYSOYHRI-JOCHJYFZSA-N 1 0 366.461 3.710 10 0 FHAERO Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC000065470394 568046079 /nfs/dbraw/zinc/04/60/79/568046079.db2.gz DMJCPIYSEHGIAO-HOTGVXAUSA-N 1 0 357.420 3.582 10 0 FHAERO O=C(N[C@@H]1CCC[NH2+]C[C@@H]1F)OCC1c2ccccc2-c2ccccc21 ZINC000725262086 570526737 /nfs/dbraw/zinc/52/67/37/570526737.db2.gz UWSBXSGYRGPLDO-VQTJNVASSA-N 1 0 354.425 3.615 10 0 FHAERO CCOC(=O)C1(c2ccccc2)CC[NH+](CCOCc2ccccc2)CC1 ZINC000004214975 570581284 /nfs/dbraw/zinc/58/12/84/570581284.db2.gz UVTBZAWTRVBTMK-UHFFFAOYSA-N 1 0 367.489 3.800 10 0 in-man FHAERO CC(C)COC[C@@H](O)C[N@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103524 571242157 /nfs/dbraw/zinc/24/21/57/571242157.db2.gz BBLXQMBCJHJVSX-SFHVURJKSA-N 1 0 351.487 3.923 10 0 FHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Br)cc1F ZINC000675055408 571271241 /nfs/dbraw/zinc/27/12/41/571271241.db2.gz RXQAEGDWINIQQF-BXUZGUMPSA-N 1 0 373.266 3.988 10 0 FHAERO C[N@@H+](Cc1ccc(Cl)cn1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328643588 571325736 /nfs/dbraw/zinc/32/57/36/571325736.db2.gz RMBJMHIVBNTJDN-NSHDSACASA-N 1 0 358.795 3.645 10 0 FHAERO