smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1cccc2ccccc21)N1CCC[N@@H+](C2CC2)CC1 ZINC000057987967 1025911938 /nfs/dbraw/zinc/91/19/38/1025911938.db2.gz HTUFXZXLMMFSFZ-UHFFFAOYSA-N 1 0 309.413 3.542 10 0 DHAERO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(n2cncn2)CC1 ZINC000078481313 1030965230 /nfs/dbraw/zinc/96/52/30/1030965230.db2.gz QCAXGKUGULYKGM-LBPRGKRZSA-N 1 0 324.350 3.695 10 0 DHAERO C[NH2+]Cc1sc(Cc2ccc(OC)cc2)nc1C(C)(C)C ZINC000082438912 185182866 /nfs/dbraw/zinc/18/28/66/185182866.db2.gz JBEDFHVPFVPOJU-UHFFFAOYSA-N 1 0 304.459 3.759 10 0 DHAERO Cc1cc(C)c(C(=O)C2CC[NH2+]CC2)c(C)c1Br ZINC000083161569 185215161 /nfs/dbraw/zinc/21/51/61/185215161.db2.gz QDGZROQSRXSDMX-UHFFFAOYSA-N 1 0 310.235 3.557 10 0 DHAERO Fc1ccc(C(OCC[NH+]2CCC2)c2ccc(F)cc2)cc1 ZINC000090558149 185303048 /nfs/dbraw/zinc/30/30/48/185303048.db2.gz ZAJUEJBFBZQGAP-UHFFFAOYSA-N 1 0 303.352 3.777 10 0 DHAERO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000070136232 190861363 /nfs/dbraw/zinc/86/13/63/190861363.db2.gz LEBZHYRMZLSTLG-BETUJISGSA-N 1 0 312.251 3.806 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC000236955402 202091132 /nfs/dbraw/zinc/09/11/32/202091132.db2.gz CLSHZOHUQZUZSI-OLMNPRSZSA-N 1 0 318.461 3.848 10 0 DHAERO CC[NH+](CC)Cc1sc(NC(C)=O)nc1-c1ccccc1 ZINC000005952425 181300112 /nfs/dbraw/zinc/30/01/12/181300112.db2.gz GGAZHNSCUSJYOX-UHFFFAOYSA-N 1 0 303.431 3.610 10 0 DHAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1cccc(Cl)c1 ZINC000015481927 182004700 /nfs/dbraw/zinc/00/47/00/182004700.db2.gz YTKZRTIPLIUQGE-JTQLQIEISA-N 1 0 324.211 3.678 10 0 DHAERO CN(Cc1ccccc1)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000019263773 182111568 /nfs/dbraw/zinc/11/15/68/182111568.db2.gz CJSSOVJOTCSHKM-MRXNPFEDSA-N 1 0 319.246 3.581 10 0 DHAERO COc1cccc(C[C@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000019516573 182127266 /nfs/dbraw/zinc/12/72/66/182127266.db2.gz WYDYTQZPNDDUFL-HNNXBMFYSA-N 1 0 306.203 3.700 10 0 DHAERO C[NH2+]Cc1cc(Br)ccc1OCCc1ccccc1 ZINC000019777475 182147907 /nfs/dbraw/zinc/14/79/07/182147907.db2.gz AANAZFIKMFDJPQ-UHFFFAOYSA-N 1 0 320.230 3.790 10 0 DHAERO C[C@H]1C[C@@H]1[C@@H]([NH3+])c1cc(Br)ccc1Br ZINC000019969154 182171547 /nfs/dbraw/zinc/17/15/47/182171547.db2.gz WKLLUROBLZILKX-GEOGLEFRSA-N 1 0 319.040 3.867 10 0 DHAERO C[C@H]1C[C@H]1[C@@H]([NH3+])c1cc(Br)ccc1Br ZINC000019969156 182171651 /nfs/dbraw/zinc/17/16/51/182171651.db2.gz WKLLUROBLZILKX-FMTFEUNWSA-N 1 0 319.040 3.867 10 0 DHAERO [NH3+][C@H](c1cc(F)ccc1F)c1cc(Br)ccc1F ZINC000019969548 182171725 /nfs/dbraw/zinc/17/17/25/182171725.db2.gz XXSHMSJOSXBFHE-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO [NH3+][C@@H](c1cc(Br)ccc1Br)C1CC1 ZINC000019969176 182171727 /nfs/dbraw/zinc/17/17/27/182171727.db2.gz HEYNZIPXDBLGOK-SNVBAGLBSA-N 1 0 305.013 3.621 10 0 DHAERO [NH3+]C[C@@H](c1c(F)cccc1Cl)N1CCc2ccccc2C1 ZINC000020226263 182198882 /nfs/dbraw/zinc/19/88/82/182198882.db2.gz LKPGJLSUJBFVHH-INIZCTEOSA-N 1 0 304.796 3.537 10 0 DHAERO [NH3+]C[C@@H](c1ccc(Br)cc1)N1CCCCCCC1 ZINC000020265291 182201170 /nfs/dbraw/zinc/20/11/70/182201170.db2.gz ZXEGHMNYKPULTE-HNNXBMFYSA-N 1 0 311.267 3.715 10 0 DHAERO Cc1ccc(-c2csc3ncnc(NCCC[NH3+])c23)c(C)c1 ZINC000020323572 182206853 /nfs/dbraw/zinc/20/68/53/182206853.db2.gz NSYIVWIDEOZIIY-UHFFFAOYSA-N 1 0 312.442 3.736 10 0 DHAERO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1ccc(F)cc1Br)C2 ZINC000020524065 182227251 /nfs/dbraw/zinc/22/72/51/182227251.db2.gz SMQBPFSEIMWSNL-YOGCLGLASA-N 1 0 313.214 3.625 10 0 DHAERO CCCOc1c(Cl)cc(C[NH2+]CCCOC)cc1OCC ZINC000020932183 182255092 /nfs/dbraw/zinc/25/50/92/182255092.db2.gz PKQWQLIPPSUEAH-UHFFFAOYSA-N 1 0 315.841 3.654 10 0 DHAERO CCCOc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CC)CO ZINC000020930089 182254393 /nfs/dbraw/zinc/25/43/93/182254393.db2.gz LEBXPRFLMFGNTP-LBPRGKRZSA-N 1 0 306.233 3.643 10 0 DHAERO CCCOc1c(Cl)cc(C[NH2+]Cc2cccnc2)cc1OC ZINC000020931425 182255224 /nfs/dbraw/zinc/25/52/24/182255224.db2.gz SUVYZFOSXQYZGK-UHFFFAOYSA-N 1 0 320.820 3.822 10 0 DHAERO C[C@@H](Cc1ccccc1)N1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000022042558 182306401 /nfs/dbraw/zinc/30/64/01/182306401.db2.gz VIYHGODXJCNFCQ-PMACEKPBSA-N 1 0 322.496 3.866 10 0 investigational DHAERO Cc1nc(COc2c(Cl)cc(Cl)cc2CC[NH3+])cs1 ZINC000037722101 182919828 /nfs/dbraw/zinc/91/98/28/182919828.db2.gz VGLXXWZNHQRNER-UHFFFAOYSA-N 1 0 317.241 3.839 10 0 DHAERO C#[N+][C@@H](c1ccc(F)cc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000038534291 183001822 /nfs/dbraw/zinc/00/18/22/183001822.db2.gz AYYBKMRUCSJRDF-OAHLLOKOSA-N 1 0 308.329 3.708 10 0 DHAERO C#[N+][C@H](c1c(F)cccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000038534297 183001836 /nfs/dbraw/zinc/00/18/36/183001836.db2.gz AVUGBGJHWZSFIH-HNNXBMFYSA-N 1 0 308.329 3.708 10 0 DHAERO CC[NH+](CC)CCCNC(=O)Nc1c(C)cccc1C(C)C ZINC000040098083 183034857 /nfs/dbraw/zinc/03/48/57/183034857.db2.gz AMCGOGWBBOPQNK-UHFFFAOYSA-N 1 0 305.466 3.972 10 0 DHAERO Cc1ccccc1OCc1nc2ccccc2n1CCC[NH+](C)C ZINC000040389610 183060288 /nfs/dbraw/zinc/06/02/88/183060288.db2.gz GSWZKSQZNRJXQQ-UHFFFAOYSA-N 1 0 323.440 3.875 10 0 DHAERO COc1ccc(Cl)cc1C[C@@H](C[NH3+])Cc1ccccc1F ZINC000041540959 183200283 /nfs/dbraw/zinc/20/02/83/183200283.db2.gz KVUKXLFQFIMIFA-LBPRGKRZSA-N 1 0 307.796 3.848 10 0 DHAERO CC(C)C[C@@H](C)N(C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042577482 183286652 /nfs/dbraw/zinc/28/66/52/183286652.db2.gz FYSZFPBTGCABIX-MNOVXSKESA-N 1 0 319.312 3.877 10 0 DHAERO CC(C)C[N@H+](C(C)C)[C@@H](CN)c1cccc(Br)c1 ZINC000042579569 183287169 /nfs/dbraw/zinc/28/71/69/183287169.db2.gz BGRGUSKRCFMCDK-HNNXBMFYSA-N 1 0 313.283 3.815 10 0 DHAERO C[C@@H]1CCCC[C@@H]1N(C)c1cc(Br)ccc1C[NH3+] ZINC000042609453 183290681 /nfs/dbraw/zinc/29/06/81/183290681.db2.gz NDBNARXJSAAAOY-RISCZKNCSA-N 1 0 311.267 3.923 10 0 DHAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000042903300 183317593 /nfs/dbraw/zinc/31/75/93/183317593.db2.gz ALAQHZQHFLXOPU-IAQYHMDHSA-N 1 0 306.203 3.916 10 0 DHAERO Cc1ccc(O[C@@H](C[NH3+])c2ccccc2)c(Br)c1 ZINC000042899939 183317759 /nfs/dbraw/zinc/31/77/59/183317759.db2.gz KIQYOHLZFIBRBK-HNNXBMFYSA-N 1 0 306.203 3.836 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCCCCC1 ZINC000042951903 183320543 /nfs/dbraw/zinc/32/05/43/183320543.db2.gz NCHDALWPFGGLJU-DOMZBBRYSA-N 1 0 311.267 3.713 10 0 DHAERO CCCCN(C)[C@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042952510 183320941 /nfs/dbraw/zinc/32/09/41/183320941.db2.gz GQAZOVIRSJOFHQ-HUUCEWRRSA-N 1 0 313.283 3.959 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CC)C1CC1 ZINC000042952771 183321394 /nfs/dbraw/zinc/32/13/94/183321394.db2.gz CENHFVVZCLPKTI-LSDHHAIUSA-N 1 0 311.267 3.712 10 0 DHAERO C[C@H]([NH3+])[C@H](OCc1ccco1)c1ccc(Br)cc1 ZINC000042956354 183322608 /nfs/dbraw/zinc/32/26/08/183322608.db2.gz SPXOTBHABDEYJJ-HZMBPMFUSA-N 1 0 310.191 3.647 10 0 DHAERO Cc1nn([C@H](c2ccc(Br)cc2)[C@@H](C)[NH3+])c(C)c1C ZINC000042956115 183323137 /nfs/dbraw/zinc/32/31/37/183323137.db2.gz VNLVAJNLMYKWIH-BMIGLBTASA-N 1 0 322.250 3.507 10 0 DHAERO [NH3+]C[C@H](OCc1cccs1)c1ccc(Br)cc1 ZINC000042958485 183323810 /nfs/dbraw/zinc/32/38/10/183323810.db2.gz JEJQLHDYHCXJRY-ZDUSSCGKSA-N 1 0 312.232 3.727 10 0 DHAERO COc1ccc([C@H](C[NH3+])Oc2cccc(Br)c2)cc1 ZINC000042962796 183324325 /nfs/dbraw/zinc/32/43/25/183324325.db2.gz BQWUNOQSFXZIRL-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO Cc1cccc([C@@H](C[NH3+])Oc2ccc(Br)cc2)c1 ZINC000042968045 183324449 /nfs/dbraw/zinc/32/44/49/183324449.db2.gz KGLBQRAAZLMHOH-OAHLLOKOSA-N 1 0 306.203 3.836 10 0 DHAERO C[C@@H](N)[C@@H](c1cccc(Br)c1)[N@H+](C)C1CCCC1 ZINC000043020335 183328472 /nfs/dbraw/zinc/32/84/72/183328472.db2.gz LUUVWZFOCVTCHI-ABAIWWIYSA-N 1 0 311.267 3.712 10 0 DHAERO CCC[NH+](CCC)[C@@H](c1cccc(Br)c1)[C@H](C)N ZINC000043019945 183328967 /nfs/dbraw/zinc/32/89/67/183328967.db2.gz MKSJAESILHQSSI-SWLSCSKDSA-N 1 0 313.283 3.959 10 0 DHAERO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@H+](C)CC(C)C ZINC000043020376 183329145 /nfs/dbraw/zinc/32/91/45/183329145.db2.gz MPOBURSQCXAMBL-LSDHHAIUSA-N 1 0 313.283 3.815 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CC[C@H](C)C1 ZINC000043021090 183329589 /nfs/dbraw/zinc/32/95/89/183329589.db2.gz JJZHDSVYZBGCBU-CQDKDKBSSA-N 1 0 311.267 3.569 10 0 DHAERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)n1nc(C)cc1C ZINC000043022085 183329790 /nfs/dbraw/zinc/32/97/90/183329790.db2.gz LXDQPKBILFMVOO-CABCVRRESA-N 1 0 322.250 3.589 10 0 DHAERO Cc1nn([C@@H](c2cccc(Br)c2)[C@@H](C)[NH3+])c(C)c1C ZINC000043022209 183330158 /nfs/dbraw/zinc/33/01/58/183330158.db2.gz WBNDHTLCLLRJAY-MEBBXXQBSA-N 1 0 322.250 3.507 10 0 DHAERO C[C@@H]([NH3+])[C@H](OCc1ccco1)c1cccc(Br)c1 ZINC000043022356 183330454 /nfs/dbraw/zinc/33/04/54/183330454.db2.gz HJTLEIAXLWCZTI-YGRLFVJLSA-N 1 0 310.191 3.647 10 0 DHAERO Cc1cccc(O[C@@H](C[NH3+])c2cccc(Br)c2)c1 ZINC000043022593 183330681 /nfs/dbraw/zinc/33/06/81/183330681.db2.gz GWYFHMRXRYWZEH-HNNXBMFYSA-N 1 0 306.203 3.836 10 0 DHAERO [NH3+]C[C@H](SCc1ccco1)c1cccc(Br)c1 ZINC000043024765 183331064 /nfs/dbraw/zinc/33/10/64/183331064.db2.gz WUDOPVOQATWZLU-ZDUSSCGKSA-N 1 0 312.232 3.975 10 0 DHAERO Cc1ccccc1[C@H](C[NH3+])Oc1ccccc1Br ZINC000043039542 183331991 /nfs/dbraw/zinc/33/19/91/183331991.db2.gz GZEBDLUFUXSALD-HNNXBMFYSA-N 1 0 306.203 3.836 10 0 DHAERO CC(C)c1nccn1[C@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043093772 183336978 /nfs/dbraw/zinc/33/69/78/183336978.db2.gz AHCQLALFAATMLS-FZMZJTMJSA-N 1 0 322.250 3.706 10 0 DHAERO CC(C)C[C@H](C)O[C@H](C[NH3+])c1ccccc1Br ZINC000043094797 183337678 /nfs/dbraw/zinc/33/76/78/183337678.db2.gz SIIHMPRURMRVTG-SMDDNHRTSA-N 1 0 300.240 3.900 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CC1CC1 ZINC000043092416 183335532 /nfs/dbraw/zinc/33/55/32/183335532.db2.gz VHXOUCZLRBVCDU-LSDHHAIUSA-N 1 0 311.267 3.569 10 0 DHAERO CCCCCN(C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091390 183335670 /nfs/dbraw/zinc/33/56/70/183335670.db2.gz YSBLYTONZQPZNJ-DOMZBBRYSA-N 1 0 313.283 3.959 10 0 DHAERO CO[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000050372134 183783295 /nfs/dbraw/zinc/78/32/95/183783295.db2.gz SHSBJOWMTBCSIJ-ILXRZTDVSA-N 1 0 310.235 3.594 10 0 DHAERO CCC[NH2+]C[C@H](Oc1cccc(Br)c1)C(C)C ZINC000052673841 183867867 /nfs/dbraw/zinc/86/78/67/183867867.db2.gz AGLNWNLDKFBYLT-AWEZNQCLSA-N 1 0 300.240 3.852 10 0 DHAERO CC[NH2+][C@@H](CC1CCOCC1)c1cccc(Br)c1 ZINC000053823615 183913459 /nfs/dbraw/zinc/91/34/59/183913459.db2.gz DLKOWONHURBJEA-HNNXBMFYSA-N 1 0 312.251 3.916 10 0 DHAERO CCC[NH2+][C@@H](CCOC)Cc1ccc(F)cc1Br ZINC000053833020 183914257 /nfs/dbraw/zinc/91/42/57/183914257.db2.gz PLGBCTKMWRYGTB-ZDUSSCGKSA-N 1 0 318.230 3.535 10 0 DHAERO Cc1cccc(N[C@@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000057634093 184043171 /nfs/dbraw/zinc/04/31/71/184043171.db2.gz WSOUUIPRIZFSFW-HNNXBMFYSA-N 1 0 305.219 3.869 10 0 DHAERO CC[NH2+]CC1(Cc2ccc(Cl)cc2Cl)CCOCC1 ZINC000061674113 184181769 /nfs/dbraw/zinc/18/17/69/184181769.db2.gz SULWKNWRFSSSKI-UHFFFAOYSA-N 1 0 302.245 3.942 10 0 DHAERO [NH3+][C@H](Cc1cc(F)ccc1Br)c1ccccc1F ZINC000062774633 184253239 /nfs/dbraw/zinc/25/32/39/184253239.db2.gz HZBQYAVTTMKRIA-CQSZACIVSA-N 1 0 312.157 3.970 10 0 DHAERO CC(C)(C)[NH2+]Cc1cnc(Cc2ccccc2Br)[nH]1 ZINC000062821546 184254379 /nfs/dbraw/zinc/25/43/79/184254379.db2.gz HDAXYILULKTPER-UHFFFAOYSA-N 1 0 322.250 3.651 10 0 DHAERO Cc1cccc(C[NH2+]Cc2ccc(O)c(Br)c2)c1 ZINC000063067996 184269323 /nfs/dbraw/zinc/26/93/23/184269323.db2.gz USTYWDGPQBKDGJ-UHFFFAOYSA-N 1 0 306.203 3.753 10 0 DHAERO COc1c(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)c(C)nn1C ZINC000065520831 184359101 /nfs/dbraw/zinc/35/91/01/184359101.db2.gz RGCQILCGTKTSCT-UHFFFAOYSA-N 1 0 319.836 3.560 10 0 DHAERO Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193659003 335051548 /nfs/dbraw/zinc/05/15/48/335051548.db2.gz ARMVVMJMBSLTRY-DYVFJYSZSA-N 1 0 322.408 3.765 10 0 DHAERO Cn1cc([C@@H]2CCC[N@@H+]2[C@@H]2CCc3c2cccc3Cl)cn1 ZINC000152403347 335057365 /nfs/dbraw/zinc/05/73/65/335057365.db2.gz JCWZMUUPISLIQQ-DLBZAZTESA-N 1 0 301.821 3.898 10 0 DHAERO Cc1nc(COC[C@]23CCC[C@H]2C[N@@H+](C2CCC2)C3)cs1 ZINC000248073465 257109418 /nfs/dbraw/zinc/10/94/18/257109418.db2.gz ZAYXTDDFQWEASN-WMLDXEAASA-N 1 0 306.475 3.623 10 0 DHAERO COc1ccc(Sc2ccc(C)cc2N2CC[NH2+]CC2)cc1 ZINC000034019802 134688633 /nfs/dbraw/zinc/68/86/33/134688633.db2.gz YDFLGNNHJDQNRD-UHFFFAOYSA-N 1 0 314.454 3.564 10 0 DHAERO CC[NH2+][C@H]1CCN(c2ccc(C)cc2Br)C[C@@H]1C ZINC000049712087 134758342 /nfs/dbraw/zinc/75/83/42/134758342.db2.gz SYERLDGPOWDJGI-JSGCOSHPSA-N 1 0 311.267 3.582 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cccc(Br)c1 ZINC000173433798 332830693 /nfs/dbraw/zinc/83/06/93/332830693.db2.gz GUBOIMGFYDSKPK-LNSITVRQSA-N 1 0 312.251 3.651 10 0 DHAERO CC(C)(C)n1cc(C[NH2+]C2CCC(C(F)(F)F)CC2)cn1 ZINC000037305927 331552645 /nfs/dbraw/zinc/55/26/45/331552645.db2.gz CYZHGQSVTSNIPW-UHFFFAOYSA-N 1 0 303.372 3.849 10 0 DHAERO COc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000008173838 331976004 /nfs/dbraw/zinc/97/60/04/331976004.db2.gz OOHDEEVTQGMSNW-LBPRGKRZSA-N 1 0 318.804 3.638 10 0 DHAERO CC[C@]1(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000128973867 332016624 /nfs/dbraw/zinc/01/66/24/332016624.db2.gz AQQQAMHZGMJJDZ-ZUZCIYMTSA-N 1 0 315.244 3.703 10 0 DHAERO Cc1ccc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000130034748 332022165 /nfs/dbraw/zinc/02/21/65/332022165.db2.gz BWJQAVBPHOLGEC-MLGOLLRUSA-N 1 0 302.805 3.923 10 0 DHAERO CSc1ccccc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130191509 332023311 /nfs/dbraw/zinc/02/33/11/332023311.db2.gz KAUYNXWUIAEPLY-LRDDRELGSA-N 1 0 300.427 3.683 10 0 DHAERO C[N@H+](CCSc1cc(Cl)ccc1Cl)CC1CC(O)C1 ZINC000091490692 332071443 /nfs/dbraw/zinc/07/14/43/332071443.db2.gz VEXOPEZDYYRUPB-UHFFFAOYSA-N 1 0 320.285 3.788 10 0 DHAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000261818088 332417003 /nfs/dbraw/zinc/41/70/03/332417003.db2.gz WKESUKVYAPBJPZ-DYVFJYSZSA-N 1 0 306.409 3.584 10 0 DHAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cccc(Br)c1 ZINC000246980508 332542456 /nfs/dbraw/zinc/54/24/56/332542456.db2.gz LTCYMFQNGUGHGR-NJZAAPMLSA-N 1 0 312.251 3.651 10 0 DHAERO CN1C(=O)C[C@@H]([NH2+]Cc2cccc(Cl)c2)c2ccccc21 ZINC000053147729 332961780 /nfs/dbraw/zinc/96/17/80/332961780.db2.gz HHWYIXVUGLYMER-OAHLLOKOSA-N 1 0 300.789 3.537 10 0 DHAERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cncc(F)c2)cc1OC ZINC000178694579 333018337 /nfs/dbraw/zinc/01/83/37/333018337.db2.gz CCVFWZWDYNHQCX-VXGBXAGGSA-N 1 0 304.365 3.650 10 0 DHAERO C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1F ZINC000183213116 333053104 /nfs/dbraw/zinc/05/31/04/333053104.db2.gz ZYJRDIXLAASEJV-SUMWQHHRSA-N 1 0 304.384 3.918 10 0 DHAERO C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)[C@H]1CCCO1 ZINC000183179083 333183619 /nfs/dbraw/zinc/18/36/19/333183619.db2.gz RRBQOMYUCZNMQY-JOYOIKCWSA-N 1 0 314.307 3.504 10 0 DHAERO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000020548053 333322187 /nfs/dbraw/zinc/32/21/87/333322187.db2.gz ZCBLWZFFVHAXIF-HNNXBMFYSA-N 1 0 321.207 3.646 10 0 DHAERO Cc1ccc([C@H]([NH2+][C@@H](C)C[S@](C)=O)c2ccccc2)c(C)c1 ZINC000184314585 333355316 /nfs/dbraw/zinc/35/53/16/333355316.db2.gz OJMGSELRIJOMJA-NBCNXNJRSA-N 1 0 315.482 3.749 10 0 DHAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000228486908 333386834 /nfs/dbraw/zinc/38/68/34/333386834.db2.gz GIBHPQMYNQVVIG-FGTMMUONSA-N 1 0 305.487 3.794 10 0 DHAERO Cc1ccc(Oc2ccccc2NC(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000261938671 333398024 /nfs/dbraw/zinc/39/80/24/333398024.db2.gz UJJZKDLQXCSGEJ-CQSZACIVSA-N 1 0 310.397 3.581 10 0 DHAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049129461 334314863 /nfs/dbraw/zinc/31/48/63/334314863.db2.gz SUKBNVFPBHOCDX-GARJFASQSA-N 1 0 302.871 3.745 10 0 DHAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000306523216 334606076 /nfs/dbraw/zinc/60/60/76/334606076.db2.gz NFMFIWSPKDYAQM-RDDDGLTNSA-N 1 0 319.040 3.710 10 0 DHAERO Cc1cc(N2CC[C@H](Oc3cccnc3)C2)c2cc(F)ccc2[nH+]1 ZINC000130314539 334923062 /nfs/dbraw/zinc/92/30/62/334923062.db2.gz QOZUYHIHDIFILW-INIZCTEOSA-N 1 0 323.371 3.735 10 0 DHAERO COc1cccc2c1CC[C@H]([NH2+][C@H]1CCOc3ccccc31)C2 ZINC000192437927 336032423 /nfs/dbraw/zinc/03/24/23/336032423.db2.gz JEIKRXNGENPVHU-YJBOKZPZSA-N 1 0 309.409 3.666 10 0 DHAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc2cc[nH]c2c1 ZINC000333002688 336196110 /nfs/dbraw/zinc/19/61/10/336196110.db2.gz BCFMXDCMOMFFFQ-CQSZACIVSA-N 1 0 314.433 3.554 10 0 DHAERO Fc1ccc(CC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)cc1F ZINC000190283608 336262219 /nfs/dbraw/zinc/26/22/19/336262219.db2.gz QFZGIQYEMGCLFW-UHFFFAOYSA-N 1 0 313.351 3.687 10 0 DHAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000192840136 336265471 /nfs/dbraw/zinc/26/54/71/336265471.db2.gz NMZYQXWZYKGKKH-IAGOWNOFSA-N 1 0 308.510 3.828 10 0 DHAERO Cc1ccsc1[C@H]([NH2+][C@H](C)CO)c1ccc(Cl)cc1F ZINC000182575088 336272558 /nfs/dbraw/zinc/27/25/58/336272558.db2.gz RTMUHJQPXLIERS-QMTHXVAHSA-N 1 0 313.825 3.909 10 0 DHAERO CC(C)(C)[NH+]1CCC(Nc2cncc(Br)c2)CC1 ZINC000301332053 336301042 /nfs/dbraw/zinc/30/10/42/336301042.db2.gz BQIYASKZXLBXKF-UHFFFAOYSA-N 1 0 312.255 3.519 10 0 DHAERO Fc1ccc(-c2csc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2)cc1 ZINC000301603308 336317788 /nfs/dbraw/zinc/31/77/88/336317788.db2.gz KXWPOTQRSVOSKD-OAHLLOKOSA-N 1 0 317.433 3.624 10 0 DHAERO CCS[C@H]1CC[C@]1(O)CNc1cc[nH+]c2c(C)cccc12 ZINC000301637288 336319775 /nfs/dbraw/zinc/31/97/75/336319775.db2.gz AJEPTLSXUASZHI-RDJZCZTQSA-N 1 0 302.443 3.602 10 0 DHAERO Cc1ccc([C@@](C)(O)CNc2cc(C)[nH+]c3ccc(F)cc23)o1 ZINC000301644298 336320364 /nfs/dbraw/zinc/32/03/64/336320364.db2.gz CHPUTTJILOPEHH-SFHVURJKSA-N 1 0 314.360 3.903 10 0 DHAERO CC[N@@H+]1CCc2c(cccc2Nc2ncnc3sccc32)C1 ZINC000301710675 336324932 /nfs/dbraw/zinc/32/49/32/336324932.db2.gz UVGHWPQYNNEAIV-UHFFFAOYSA-N 1 0 310.426 3.813 10 0 DHAERO CCc1c(C)[nH+]c2ccccc2c1N1CC[C@@H](c2cnn(C)c2)C1 ZINC000302015368 336343162 /nfs/dbraw/zinc/34/31/62/336343162.db2.gz BXMWZCKNYRJODM-OAHLLOKOSA-N 1 0 320.440 3.833 10 0 DHAERO C[C@@H](Nc1cc[nH+]cc1C(N)=O)c1cc2cc(Cl)ccc2o1 ZINC000302203282 336353819 /nfs/dbraw/zinc/35/38/19/336353819.db2.gz BXCIJNSPDLKJAX-SECBINFHSA-N 1 0 315.760 3.753 10 0 DHAERO Cc1cccc(NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH+]1 ZINC000302233579 336355391 /nfs/dbraw/zinc/35/53/91/336355391.db2.gz FZTWSJHEKFBNHU-OAHLLOKOSA-N 1 0 319.449 3.839 10 0 DHAERO Cc1cnc(NC2CC[NH+](Cc3cccc(C)c3)CC2)s1 ZINC000302858964 336372216 /nfs/dbraw/zinc/37/22/16/336372216.db2.gz UAWKKJGAKNYBHT-UHFFFAOYSA-N 1 0 301.459 3.836 10 0 DHAERO CC(C)(C)c1ccc(C(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000302894152 336929654 /nfs/dbraw/zinc/92/96/54/336929654.db2.gz SUAMQGSSLUJSAV-UHFFFAOYSA-N 1 0 310.441 3.585 10 0 DHAERO CCCOc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000123064932 337035049 /nfs/dbraw/zinc/03/50/49/337035049.db2.gz OUTGXFLZZSEFLU-GOSISDBHSA-N 1 0 313.445 3.817 10 0 DHAERO c1ncn([C@H]2CCC[N@H+](C3c4ccccc4-c4ccccc43)C2)n1 ZINC000171704157 337088653 /nfs/dbraw/zinc/08/86/53/337088653.db2.gz FNQNVGFMCXPMTI-HNNXBMFYSA-N 1 0 316.408 3.685 10 0 DHAERO Cc1ccc([C@@H]2CCCCN2Cc2nnc(C(C)C)n2C)o1 ZINC000172870695 337131666 /nfs/dbraw/zinc/13/16/66/337131666.db2.gz PCTBVEDWUILLDW-AWEZNQCLSA-N 1 0 302.422 3.567 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc2ccccc12 ZINC000175015152 337144053 /nfs/dbraw/zinc/14/40/53/337144053.db2.gz NHHPAJRAHZRVFV-ZIAGYGMSSA-N 1 0 314.454 3.600 10 0 DHAERO COc1cccc([C@@H](C)[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000175620217 337148504 /nfs/dbraw/zinc/14/85/04/337148504.db2.gz TWKHLMWYTBQMAT-HZPDHXFCSA-N 1 0 311.429 3.585 10 0 DHAERO CC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccc(C)cc1 ZINC000176154783 337150604 /nfs/dbraw/zinc/15/06/04/337150604.db2.gz KGHAGWJCTMFKTJ-ZWKOTPCHSA-N 1 0 317.477 3.572 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2cc(F)ccc2s1 ZINC000176998300 337154083 /nfs/dbraw/zinc/15/40/83/337154083.db2.gz YDIZYSZPJMLSMN-AWEZNQCLSA-N 1 0 320.433 3.597 10 0 DHAERO Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000180127194 337171461 /nfs/dbraw/zinc/17/14/61/337171461.db2.gz QGMLYPGCHUQHIA-INIZCTEOSA-N 1 0 309.413 3.911 10 0 DHAERO Clc1ccc(/C=C/CN2CCO[C@H](c3nccs3)C2)cc1 ZINC000179880355 337172248 /nfs/dbraw/zinc/17/22/48/337172248.db2.gz XRORLTNHXGZMPU-YLSAJCSVSA-N 1 0 320.845 3.883 10 0 DHAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cnn(C(C)C)c2)C12CCCC2 ZINC000179863458 337172358 /nfs/dbraw/zinc/17/23/58/337172358.db2.gz LOBWWFYASRHYEH-DLBZAZTESA-N 1 0 305.466 3.634 10 0 DHAERO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000180533047 337176189 /nfs/dbraw/zinc/17/61/89/337176189.db2.gz YFZJSGOWJBXTHQ-DOTOQJQBSA-N 1 0 312.461 3.684 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc3c(c1)CCC3)CC2 ZINC000180637724 337176751 /nfs/dbraw/zinc/17/67/51/337176751.db2.gz GAVLKRCWUVAUQS-RDTXWAMCSA-N 1 0 324.472 3.556 10 0 DHAERO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000180649573 337177009 /nfs/dbraw/zinc/17/70/09/337177009.db2.gz KIWLNARSVKWLIC-BFYDXBDKSA-N 1 0 324.472 3.863 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1F ZINC000180857911 337178090 /nfs/dbraw/zinc/17/80/90/337178090.db2.gz YADIJKKUHJGAHB-CJNGLKHVSA-N 1 0 316.424 3.596 10 0 DHAERO Cc1oc2ccccc2c1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000184954687 337202034 /nfs/dbraw/zinc/20/20/34/337202034.db2.gz PDQPQVPWCQPWPM-KRWDZBQOSA-N 1 0 322.408 3.774 10 0 DHAERO Cn1cc([C@@H]2CCC[N@@H+]2CC2CCC(C(F)(F)F)CC2)cn1 ZINC000185509465 337248694 /nfs/dbraw/zinc/24/86/94/337248694.db2.gz QQIVISXEQKRSRA-ZALBZXLWSA-N 1 0 315.383 3.926 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c(F)c2)C12CCOCC2 ZINC000186382175 337256847 /nfs/dbraw/zinc/25/68/47/337256847.db2.gz RNDOPZVTHFQKLJ-BMGDILEWSA-N 1 0 321.436 3.759 10 0 DHAERO CCCc1cccc(C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000186939724 337260407 /nfs/dbraw/zinc/26/04/07/337260407.db2.gz TYSDXAZWDSIMST-UHFFFAOYSA-N 1 0 310.445 3.506 10 0 DHAERO C[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188079152 337270509 /nfs/dbraw/zinc/27/05/09/337270509.db2.gz XWACHKPTTFIQMY-KFNAQCHYSA-N 1 0 323.408 3.795 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C12CCOCC2 ZINC000188725145 337274556 /nfs/dbraw/zinc/27/45/56/337274556.db2.gz JFSJMOUSGLWMLD-RBUKOAKNSA-N 1 0 315.457 3.628 10 0 DHAERO Cc1cccc(C[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)c1C ZINC000190287575 337286300 /nfs/dbraw/zinc/28/63/00/337286300.db2.gz MKZDENIHOZLCKX-MSOLQXFVSA-N 1 0 301.455 3.573 10 0 DHAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1nccn1-c1ccccc1 ZINC000191227756 337295076 /nfs/dbraw/zinc/29/50/76/337295076.db2.gz ISHGSLZQIJFBQB-KRWDZBQOSA-N 1 0 321.424 3.567 10 0 DHAERO Cc1cc(C)c(NC(=O)C[NH2+][C@H]2CCc3ccccc32)c(C)c1 ZINC000193252490 337309514 /nfs/dbraw/zinc/30/95/14/337309514.db2.gz AKOZXTFMXJLAQR-SFHVURJKSA-N 1 0 308.425 3.827 10 0 DHAERO CC(C)(C)n1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000037306053 337364585 /nfs/dbraw/zinc/36/45/85/337364585.db2.gz PSVFJCSCQDHPIS-QWHCGFSZSA-N 1 0 303.372 3.849 10 0 DHAERO COc1ccc2[nH]c3c(c2c1)CC[N@H+](Cc1ccccc1)CC3 ZINC000584591748 337373495 /nfs/dbraw/zinc/37/34/95/337373495.db2.gz HEGFICKDSKCYGS-UHFFFAOYSA-N 1 0 306.409 3.777 10 0 DHAERO C[C@H]([NH3+])c1ccccc1-c1cncn1CCc1ccc(F)cc1 ZINC000584595195 337373939 /nfs/dbraw/zinc/37/39/39/337373939.db2.gz NSSOKDHYSWMURR-AWEZNQCLSA-N 1 0 309.388 3.952 10 0 DHAERO C[NH+](C)C[C@@H]1CN2c3ccccc3Sc3cccc(c32)C1=O ZINC000584632680 337377236 /nfs/dbraw/zinc/37/72/36/337377236.db2.gz PRLDIFCGGIHYKG-GFCCVEGCSA-N 1 0 310.422 3.663 10 0 DHAERO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]1c1ccco1 ZINC000116211780 337392518 /nfs/dbraw/zinc/39/25/18/337392518.db2.gz UQQFNZFTDIQKJS-GOSISDBHSA-N 1 0 324.424 3.853 10 0 DHAERO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000133112607 337444316 /nfs/dbraw/zinc/44/43/16/337444316.db2.gz HBAARKBREHQYOC-RBUKOAKNSA-N 1 0 320.521 3.783 10 0 DHAERO CCn1cc(C2CC[NH+]([C@@H](C)c3ccccc3F)CC2)cn1 ZINC000195501320 337467462 /nfs/dbraw/zinc/46/74/62/337467462.db2.gz MZYAPBVCTCTORN-AWEZNQCLSA-N 1 0 301.409 3.983 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000245940813 337499408 /nfs/dbraw/zinc/49/94/08/337499408.db2.gz UWJDCXVFDLVCFO-IHRRRGAJSA-N 1 0 304.459 3.947 10 0 DHAERO CCC[C@@H](C(=O)Nc1ccc(COC2CCCC2)cc1)[NH+](C)C ZINC000162250710 337610540 /nfs/dbraw/zinc/61/05/40/337610540.db2.gz FYWUTXNRZDUHEI-SFHVURJKSA-N 1 0 318.461 3.815 10 0 DHAERO CCC[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261909373 337612474 /nfs/dbraw/zinc/61/24/74/337612474.db2.gz SVGUFWCAKMJZSQ-DLBZAZTESA-N 1 0 308.510 3.959 10 0 DHAERO CC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000261957142 337613222 /nfs/dbraw/zinc/61/32/22/337613222.db2.gz ZTLFTEVEIZXRFW-GUDVDZBRSA-N 1 0 322.452 3.529 10 0 DHAERO C[C@H](NC(=O)[C@H]1CCCC[C@]1(C)[NH3+])c1ccc2ccccc2c1 ZINC000262957321 337622640 /nfs/dbraw/zinc/62/26/40/337622640.db2.gz KHUGOGHBUBCQJS-QMIHWGKISA-N 1 0 310.441 3.925 10 0 DHAERO CC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2F)c1 ZINC000036281301 337747360 /nfs/dbraw/zinc/74/73/60/337747360.db2.gz ZIGWSYIXTMFPQX-UHFFFAOYSA-N 1 0 306.768 3.841 10 0 DHAERO C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000057382238 337859392 /nfs/dbraw/zinc/85/93/92/337859392.db2.gz PLUWXWRYWLDIHD-LLVKDONJSA-N 1 0 306.768 3.768 10 0 DHAERO c1cc(-c2ccccc2)sc1C[NH+]1CCC(n2cncn2)CC1 ZINC000092647908 337907051 /nfs/dbraw/zinc/90/70/51/337907051.db2.gz HHOPZEAHUWCFJG-UHFFFAOYSA-N 1 0 324.453 3.844 10 0 DHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085978182 338012872 /nfs/dbraw/zinc/01/28/72/338012872.db2.gz VWXQZAJTDHROBY-UBHSHLNASA-N 1 0 310.507 3.951 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000153793102 338231092 /nfs/dbraw/zinc/23/10/92/338231092.db2.gz SMCLSEDYKGQBKJ-LNSITVRQSA-N 1 0 301.352 3.907 10 0 DHAERO C[C@@H]([NH2+]C1(C2CC2)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495274639 339980094 /nfs/dbraw/zinc/98/00/94/339980094.db2.gz AADGVVLPWDKDGW-KGLIPLIRSA-N 1 0 308.466 3.554 10 0 DHAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccccc1I ZINC000308856297 340237498 /nfs/dbraw/zinc/23/74/98/340237498.db2.gz PZNNYLOLKRCRCI-WDEREUQCSA-N 1 0 317.214 3.986 10 0 DHAERO C[C@@H]1C[C@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC(C)(C)C1 ZINC000183976908 340490212 /nfs/dbraw/zinc/49/02/12/340490212.db2.gz OJXRGAIBXZIKHI-AEFFLSMTSA-N 1 0 320.521 3.783 10 0 DHAERO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000186901165 340516789 /nfs/dbraw/zinc/51/67/89/340516789.db2.gz TZFADIVVESZHIV-HUUCEWRRSA-N 1 0 323.502 3.674 10 0 DHAERO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H](O)CC(F)(F)F)cc1 ZINC000189310932 340533618 /nfs/dbraw/zinc/53/36/18/340533618.db2.gz IZYFOODOPCZTSK-SWLSCSKDSA-N 1 0 303.368 3.849 10 0 DHAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000238084640 340675762 /nfs/dbraw/zinc/67/57/62/340675762.db2.gz XKZPVZJXOOJUTL-VQTJNVASSA-N 1 0 311.425 3.659 10 0 DHAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000066391548 340845947 /nfs/dbraw/zinc/84/59/47/340845947.db2.gz ZURLOQWFYYWTRX-MNOVXSKESA-N 1 0 314.832 3.823 10 0 DHAERO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(Br)cc1Cl ZINC000135161668 341232564 /nfs/dbraw/zinc/23/25/64/341232564.db2.gz LJRNWUFIXAAFFM-LBPRGKRZSA-N 1 0 320.658 3.599 10 0 DHAERO C[C@@H]([NH2+]Cc1ccc(Cl)c(Br)c1)[C@@H]1CCCO1 ZINC000137073919 341271914 /nfs/dbraw/zinc/27/19/14/341271914.db2.gz VIBNWFZGGSJPAO-RNCFNFMXSA-N 1 0 318.642 3.760 10 0 DHAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2Cl)C1 ZINC000245200609 341285396 /nfs/dbraw/zinc/28/53/96/341285396.db2.gz LIMMLJHMCFCFHA-ZIAGYGMSSA-N 1 0 308.853 3.782 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000245471604 341296056 /nfs/dbraw/zinc/29/60/56/341296056.db2.gz OCTKNSWDEBSWCQ-WBVHZDCISA-N 1 0 313.445 3.819 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@H](C)c1ccccc1 ZINC000246257068 341338565 /nfs/dbraw/zinc/33/85/65/341338565.db2.gz KHFUVHZSUZFIKQ-QXAKKESOSA-N 1 0 314.473 3.656 10 0 DHAERO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)C(C)(C)C ZINC000246375913 341345527 /nfs/dbraw/zinc/34/55/27/341345527.db2.gz JQTREVVQGKIJFN-RBSFLKMASA-N 1 0 310.507 3.534 10 0 DHAERO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000246588883 341354042 /nfs/dbraw/zinc/35/40/42/341354042.db2.gz ZEKQZYBPLRHQTA-VNHYZAJKSA-N 1 0 309.523 3.954 10 0 DHAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)CN1C1CC1 ZINC000246841465 341357620 /nfs/dbraw/zinc/35/76/20/341357620.db2.gz BONASZHZPWLBLR-CPUCHLNUSA-N 1 0 300.446 3.504 10 0 DHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000247112882 341361068 /nfs/dbraw/zinc/36/10/68/341361068.db2.gz VWXQZAJTDHROBY-IACUBPJLSA-N 1 0 310.507 3.951 10 0 DHAERO CC(C)[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000247141711 341361476 /nfs/dbraw/zinc/36/14/76/341361476.db2.gz JSHZIXWBXPWHTA-QRQLOZEOSA-N 1 0 314.473 3.511 10 0 DHAERO CC(C)c1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247325640 341363439 /nfs/dbraw/zinc/36/34/39/341363439.db2.gz LVUOZEYQSWGDBT-PBHICJAKSA-N 1 0 301.434 3.510 10 0 DHAERO Cc1c2cccc(C)c2oc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247519607 341366555 /nfs/dbraw/zinc/36/65/55/341366555.db2.gz YZEOIYMKMIXTGF-CJNGLKHVSA-N 1 0 314.429 3.508 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000248163174 341374202 /nfs/dbraw/zinc/37/42/02/341374202.db2.gz SMCLSEDYKGQBKJ-WHOFXGATSA-N 1 0 301.352 3.907 10 0 DHAERO CC1(C)[C@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)[C@H]2CCO[C@H]21 ZINC000248186672 341374561 /nfs/dbraw/zinc/37/45/61/341374561.db2.gz XLNWAVLUGHDCTL-YALNPMBYSA-N 1 0 319.420 3.831 10 0 DHAERO C/C=C/C[C@H](CO)[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000248647154 341382773 /nfs/dbraw/zinc/38/27/73/341382773.db2.gz SSSAQVNAAUCUGE-DACWGTRXSA-N 1 0 304.459 3.705 10 0 DHAERO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248657192 341382995 /nfs/dbraw/zinc/38/29/95/341382995.db2.gz SEUXKGJRHNJBKK-QUCCMNQESA-N 1 0 323.484 3.905 10 0 DHAERO CC[C@@H]1C[N@H+](CC[C@H](C)CCC=C(C)C)CCN1C[C@@H](C)O ZINC000248665012 341383601 /nfs/dbraw/zinc/38/36/01/341383601.db2.gz KZYWFUGPMTUKRJ-GUDVDZBRSA-N 1 0 310.526 3.536 10 0 DHAERO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](CC[C@H](C)CCC=C(C)C)C1 ZINC000248661909 341383705 /nfs/dbraw/zinc/38/37/05/341383705.db2.gz FVXZEEMAHMQZRA-OIISXLGYSA-N 1 0 321.465 3.912 10 0 DHAERO Cc1csc([C@H]2C[N@H+](C[C@@H]3C(C)=CCC[C@@H]3C)CCO2)n1 ZINC000249062906 341392888 /nfs/dbraw/zinc/39/28/88/341392888.db2.gz IFTPTIKCXBRJQD-NUEKZKHPSA-N 1 0 306.475 3.817 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(CC)cc2)C12CCOCC2 ZINC000249067484 341393049 /nfs/dbraw/zinc/39/30/49/341393049.db2.gz ZRALZEUIKOMUOP-AYOQOUSVSA-N 1 0 317.473 3.874 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc3cccc(OC)c3o2)C1 ZINC000249612435 341399894 /nfs/dbraw/zinc/39/98/94/341399894.db2.gz DHIJYWRVHVHLCE-UKRRQHHQSA-N 1 0 302.418 3.576 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(Br)s2)C1 ZINC000249612074 341399903 /nfs/dbraw/zinc/39/99/03/341399903.db2.gz BXIFCRFKVZHBKK-GHMZBOCLSA-N 1 0 317.296 3.646 10 0 DHAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000261970974 341510528 /nfs/dbraw/zinc/51/05/28/341510528.db2.gz MVUKWHGZEQGQRP-RDTXWAMCSA-N 1 0 310.397 3.792 10 0 DHAERO CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](O)CC(F)(F)F)cc1 ZINC000189859146 519763907 /nfs/dbraw/zinc/76/39/07/519763907.db2.gz OSHOUTVBRFTFTA-GXTWGEPZSA-N 1 0 319.367 3.685 10 0 DHAERO CCC[C@H](C(=O)Nc1cccc(Oc2ccncc2)c1)[NH+](C)C ZINC000162113345 520989461 /nfs/dbraw/zinc/98/94/61/520989461.db2.gz BRPBHLFUJICLHU-QGZVFWFLSA-N 1 0 313.401 3.543 10 0 DHAERO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)s1 ZINC000181636150 522041938 /nfs/dbraw/zinc/04/19/38/522041938.db2.gz VRDQMAGDMULRAC-SECBINFHSA-N 1 0 311.353 3.664 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000106217672 522598068 /nfs/dbraw/zinc/59/80/68/522598068.db2.gz SJXSJQWQDXMXMF-HNNXBMFYSA-N 1 0 303.837 3.936 10 0 DHAERO CC[C@H](O)CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000128153065 522805116 /nfs/dbraw/zinc/80/51/16/522805116.db2.gz XHKFVILBCLKZDS-LSDHHAIUSA-N 1 0 316.470 3.938 10 0 DHAERO Cc1cccc(Oc2ccccc2CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000237775923 524786831 /nfs/dbraw/zinc/78/68/31/524786831.db2.gz UKZNNYRAYRFPIH-DOTOQJQBSA-N 1 0 324.424 3.531 10 0 DHAERO Cc1cc(NCC2CC[NH2+]CC2)nc(-c2cccc(Cl)c2)n1 ZINC000070456045 525267684 /nfs/dbraw/zinc/26/76/84/525267684.db2.gz BHFGVLZLBDSBKG-UHFFFAOYSA-N 1 0 316.836 3.517 10 0 DHAERO C[C@H]([NH2+]C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccnc1 ZINC000181656168 525384685 /nfs/dbraw/zinc/38/46/85/525384685.db2.gz WKTDRHDKHKDGNG-LRDDRELGSA-N 1 0 315.804 3.579 10 0 DHAERO Cc1c(C[NH2+][C@H](c2ccccc2)c2ccccc2C)cnn1C ZINC000181026402 525727827 /nfs/dbraw/zinc/72/78/27/525727827.db2.gz XFHJRAXATRYGQG-HXUWFJFHSA-N 1 0 305.425 3.916 10 0 DHAERO Cc1c([C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)cnn1C(C)(C)C ZINC000191266918 525924122 /nfs/dbraw/zinc/92/41/22/525924122.db2.gz BTHPTOZGZWZBML-KGLIPLIRSA-N 1 0 315.461 3.934 10 0 DHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)o1 ZINC000158093729 525940832 /nfs/dbraw/zinc/94/08/32/525940832.db2.gz ZBDBSFHJMFQGPC-PWSUYJOCSA-N 1 0 321.808 3.704 10 0 DHAERO Cc1ccc([C@H]([NH3+])C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000228080621 525962134 /nfs/dbraw/zinc/96/21/34/525962134.db2.gz JEDMMQDJFWIMHU-HZMBPMFUSA-N 1 0 308.834 3.587 10 0 DHAERO CSc1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188164155 525994232 /nfs/dbraw/zinc/99/42/32/525994232.db2.gz WJSHCDYQUFDGKR-RDJZCZTQSA-N 1 0 319.495 3.678 10 0 DHAERO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)c3nc4ccccc4o3)C2)c1 ZINC000181102036 526268736 /nfs/dbraw/zinc/26/87/36/526268736.db2.gz OZWVBSRIFRBAGV-GJZGRUSLSA-N 1 0 310.401 3.731 10 0 DHAERO Cc1csc([C@@H]2CCC[N@H+](CCCCCn3cccn3)C2)n1 ZINC000104680965 526419420 /nfs/dbraw/zinc/41/94/20/526419420.db2.gz HQVQKQOBSKVXRM-MRXNPFEDSA-N 1 0 318.490 3.698 10 0 DHAERO Cc1oc2nc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)nc(N)c2c1C ZINC000246858000 526791968 /nfs/dbraw/zinc/79/19/68/526791968.db2.gz UEXOUPCRPHCBKJ-UONOGXRCSA-N 1 0 314.433 3.576 10 0 DHAERO Cc1ccc(F)cc1[C@H]1C[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675052484 563780540 /nfs/dbraw/zinc/78/05/40/563780540.db2.gz AOSAJJZXDKSXQT-UKRRQHHQSA-N 1 0 308.397 3.533 10 0 DHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1 ZINC000675055592 563909851 /nfs/dbraw/zinc/90/98/51/563909851.db2.gz VPMWPIUETPCXLE-UONOGXRCSA-N 1 0 310.825 3.739 10 0 DHAERO C[NH2+]CCc1c[nH]c(CCC(c2ccccc2)c2ccccc2)n1 ZINC000002003474 560185367 /nfs/dbraw/zinc/18/53/67/560185367.db2.gz YMVWDVNGNLXSKR-UHFFFAOYSA-N 1 0 319.452 3.936 10 0 in-vitro DHAERO C[C@@H]1CC(NC(=O)OC(C)(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC000034725286 563451065 /nfs/dbraw/zinc/45/10/65/563451065.db2.gz YZUWHSJNFAERJI-HUUCEWRRSA-N 1 0 318.461 3.953 10 0 DHAERO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593056 563495836 /nfs/dbraw/zinc/49/58/36/563495836.db2.gz IBDBUXNMQVARBX-ZOBUZTSGSA-N 1 0 318.461 3.953 10 0 DHAERO CC(C)(C)C[C@H]1C[NH2+][C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000725255639 563558597 /nfs/dbraw/zinc/55/85/97/563558597.db2.gz GQHGIPYVCOLGKP-RDTXWAMCSA-N 1 0 310.482 3.802 10 0 DHAERO CC(C)(C)C[C@@H]1C[NH2+][C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000725255636 563558690 /nfs/dbraw/zinc/55/86/90/563558690.db2.gz GQHGIPYVCOLGKP-KBXCAEBGSA-N 1 0 310.482 3.802 10 0 DHAERO C[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000169616745 563647053 /nfs/dbraw/zinc/64/70/53/563647053.db2.gz XMRUFXRESHLTCT-HLLBOEOZSA-N 1 0 318.461 3.810 10 0 DHAERO CCCCN1C(=O)CC[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC000015069369 563783491 /nfs/dbraw/zinc/78/34/91/563783491.db2.gz CUYZFRFTYIYBGT-MSOLQXFVSA-N 1 0 306.494 3.680 10 0 DHAERO CCCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CC[C@@H]21 ZINC000012572271 563801606 /nfs/dbraw/zinc/80/16/06/563801606.db2.gz CXIUDMUWCZPSDS-MOPGFXCFSA-N 1 0 314.473 3.608 10 0 DHAERO Brc1ccc([C@@H]2[NH2+]CCc3sccc32)s1 ZINC000084723245 563912547 /nfs/dbraw/zinc/91/25/47/563912547.db2.gz VQKOIYMHVJHQEL-LLVKDONJSA-N 1 0 300.246 3.807 10 0 DHAERO Cc1cc(C)n(CC2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000090474233 1032400994 /nfs/dbraw/zinc/40/09/94/1032400994.db2.gz DAESUQIXLACTMA-UHFFFAOYSA-N 1 0 301.409 3.551 10 0 DHAERO c1[nH]c([C@@H]2CCC[N@@H+](CC3=CCCOC3)C2)nc1-c1ccccc1 ZINC000093387292 1032536608 /nfs/dbraw/zinc/53/66/08/1032536608.db2.gz BIFKTBSVOHVYSG-GOSISDBHSA-N 1 0 323.440 3.603 10 0 DHAERO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)C3=CCCCO3)c2C1 ZINC000073338155 1030591787 /nfs/dbraw/zinc/59/17/87/1030591787.db2.gz XXEGRHWQOMMCDK-UHFFFAOYSA-N 1 0 314.429 3.681 10 0 DHAERO CC(C)C[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000074995419 1030629063 /nfs/dbraw/zinc/62/90/63/1030629063.db2.gz PGXDJJONBVBYFG-KBPBESRZSA-N 1 0 300.406 3.561 10 0 DHAERO [NH3+]Cc1sc(-c2ccc(Br)cc2)nc1C1CC1 ZINC000082436810 185182483 /nfs/dbraw/zinc/18/24/83/185182483.db2.gz JKLFCNCIYFSKHA-UHFFFAOYSA-N 1 0 309.232 3.909 10 0 DHAERO CC(C)[NH2+]Cc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000082661969 185191604 /nfs/dbraw/zinc/19/16/04/185191604.db2.gz PZVOUKRZFKEAJP-UHFFFAOYSA-N 1 0 301.287 3.528 10 0 DHAERO Cc1cc(C)c(C(=O)[C@@H]2CCC[NH2+]C2)c(C)c1Br ZINC000083161574 185215051 /nfs/dbraw/zinc/21/50/51/185215051.db2.gz XDAVRVYJWFYTRW-GFCCVEGCSA-N 1 0 310.235 3.557 10 0 DHAERO C[C@H]([NH3+])c1cc2cc(Br)cc(Br)c2o1 ZINC000083161032 185215063 /nfs/dbraw/zinc/21/50/63/185215063.db2.gz GDXUSYZWLBBLFF-YFKPBYRVSA-N 1 0 318.996 3.978 10 0 DHAERO COc1ncc(-c2ccc(CC[NH+](C)C)cc2)c2c(O)cccc12 ZINC000090555765 185303110 /nfs/dbraw/zinc/30/31/10/185303110.db2.gz XXBSNXGQXQGZAW-UHFFFAOYSA-N 1 0 322.408 3.720 10 0 DHAERO CCc1csc([C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)n1 ZINC000092789218 185341311 /nfs/dbraw/zinc/34/13/11/185341311.db2.gz SABMVKRWWDQCMI-AWEZNQCLSA-N 1 0 302.443 3.791 10 0 DHAERO CC(C)c1ccc([C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C(C)C)cc1 ZINC000150753742 186063649 /nfs/dbraw/zinc/06/36/49/186063649.db2.gz YIEZQKBDYQHYAC-FGTMMUONSA-N 1 0 302.462 3.751 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000236805583 202018779 /nfs/dbraw/zinc/01/87/79/202018779.db2.gz QXNSCCMKGLIMJQ-IRXDYDNUSA-N 1 0 302.462 3.775 10 0 DHAERO CC[C@@H]1C[C@H]2C[C@@H]3c4[nH]c5ccc(OC)cc5c4CC[N@@H+](C2)[C@H]13 ZINC000004556587 181124406 /nfs/dbraw/zinc/12/44/06/181124406.db2.gz HSIBGVUMFOSJPD-NPPSGXECSA-N 1 0 310.441 3.937 10 0 DHAERO CCC[C@@H]1[C@@H](CC(=O)NC(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000005469747 181247476 /nfs/dbraw/zinc/24/74/76/181247476.db2.gz FDZLZLAFLPFOSA-QZTJIDSGSA-N 1 0 302.462 3.592 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)c1sccc1C ZINC000236909635 202066192 /nfs/dbraw/zinc/06/61/92/202066192.db2.gz XSJPWRPZWBYRPU-HOTGVXAUSA-N 1 0 316.470 3.584 10 0 DHAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000236919964 202071442 /nfs/dbraw/zinc/07/14/42/202071442.db2.gz ZVCCCNOEIMKSFC-TVQRCGJNSA-N 1 0 321.421 3.570 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(OCc2cccc(C)c2)c1 ZINC000236956680 202093342 /nfs/dbraw/zinc/09/33/42/202093342.db2.gz FBDHBGIAIJVSNX-SFHVURJKSA-N 1 0 312.413 3.640 10 0 DHAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000236982016 202106165 /nfs/dbraw/zinc/10/61/65/202106165.db2.gz QYUFTCKXLLDPEH-KDOFPFPSSA-N 1 0 311.429 3.611 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc2ccccc2o1 ZINC000089732868 192852288 /nfs/dbraw/zinc/85/22/88/192852288.db2.gz USFPEZSACMKGIT-HOCLYGCPSA-N 1 0 322.412 3.542 10 0 DHAERO CCc1ccc([C@@H]([NH2+][C@H]2CCCn3nc(C)nc32)C(C)C)cc1 ZINC000091377420 193048751 /nfs/dbraw/zinc/04/87/51/193048751.db2.gz AVZAFGBRIKVYEG-ROUUACIJSA-N 1 0 312.461 3.971 10 0 DHAERO Cn1cc(-c2cccc(C(F)(F)F)c2)nc1C1CC[NH2+]CC1 ZINC000091692342 193093083 /nfs/dbraw/zinc/09/30/83/193093083.db2.gz ZFXXAZFDIWEHRL-UHFFFAOYSA-N 1 0 309.335 3.573 10 0 DHAERO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000261508278 203073333 /nfs/dbraw/zinc/07/33/33/203073333.db2.gz QZFCAOGECMVMDZ-INIZCTEOSA-N 1 0 304.434 3.518 10 0 DHAERO COc1ccc(CC[NH3+])cc1OCc1c(F)cccc1Cl ZINC000011802923 181706799 /nfs/dbraw/zinc/70/67/99/181706799.db2.gz RFDYPIPUZIKUBP-UHFFFAOYSA-N 1 0 309.768 3.568 10 0 DHAERO NC(=[NH2+])CCCOc1ccc2cc(Br)ccc2c1 ZINC000019432120 182123179 /nfs/dbraw/zinc/12/31/79/182123179.db2.gz NDLFKCLJHRUTMZ-UHFFFAOYSA-N 1 0 307.191 3.697 10 0 DHAERO CCCN(CCC)[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000019422210 182122645 /nfs/dbraw/zinc/12/26/45/182122645.db2.gz LIEWSVFMOGIEOP-AWEZNQCLSA-N 1 0 317.246 3.710 10 0 DHAERO CCCN(CCC)[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000019422212 182122711 /nfs/dbraw/zinc/12/27/11/182122711.db2.gz LIEWSVFMOGIEOP-CQSZACIVSA-N 1 0 317.246 3.710 10 0 DHAERO [NH3+]C[C@H](Oc1cccc(Br)c1)c1ccccc1F ZINC000019671685 182134997 /nfs/dbraw/zinc/13/49/97/182134997.db2.gz OLDJJPNEDFFBQY-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO CCC[N@@H+](Cc1c[nH]nc1-c1ccc(OC)cc1F)CC1CC1 ZINC000019739894 182141248 /nfs/dbraw/zinc/14/12/48/182141248.db2.gz RIOOZXRHDIEMCL-UHFFFAOYSA-N 1 0 317.408 3.846 10 0 DHAERO [NH3+][C@H](c1ccc(F)c(F)c1)c1ccc(F)cc1Br ZINC000019968353 182171549 /nfs/dbraw/zinc/17/15/49/182171549.db2.gz NWTXEOVPEJGPAB-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2cccc(Br)c2)c(OC)c1 ZINC000019967776 182171828 /nfs/dbraw/zinc/17/18/28/182171828.db2.gz OGLFVFUHHTUMTN-HNNXBMFYSA-N 1 0 322.202 3.514 10 0 DHAERO CC(C)[C@H](C[NH2+][C@H](C)c1cccc(Br)c1)N(C)C ZINC000020145588 182192485 /nfs/dbraw/zinc/19/24/85/182192485.db2.gz HXXPBOJALIHZOZ-DOMZBBRYSA-N 1 0 313.283 3.686 10 0 DHAERO CCOc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1OC ZINC000020353512 182210577 /nfs/dbraw/zinc/21/05/77/182210577.db2.gz ILXHJENUJKCREI-LJQANCHMSA-N 1 0 322.408 3.810 10 0 DHAERO COc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1Br ZINC000020522287 182227222 /nfs/dbraw/zinc/22/72/22/182227222.db2.gz ZWUIIPSLWHRUDI-AWEZNQCLSA-N 1 0 306.203 3.700 10 0 DHAERO Cc1cc(Br)ccc1-n1c(N)[nH+]c2ccccc21 ZINC000020586140 182235523 /nfs/dbraw/zinc/23/55/23/182235523.db2.gz KAQKYGRUXRYJQC-UHFFFAOYSA-N 1 0 302.175 3.679 10 0 DHAERO COc1ccc([C@@H]2[NH2+]Cc3c(C)cc(C)nc3-n3cccc32)cc1 ZINC000020865080 182250365 /nfs/dbraw/zinc/25/03/65/182250365.db2.gz NQSUPTWPQPWWGC-IBGZPJMESA-N 1 0 319.408 3.690 10 0 DHAERO Cc1ccc(COc2cccc(C[NH2+]C[C@@H]3CCCO3)c2)cc1 ZINC000020874447 182250896 /nfs/dbraw/zinc/25/08/96/182250896.db2.gz AIKHXKQJFYTXOK-FQEVSTJZSA-N 1 0 311.425 3.843 10 0 DHAERO CCCOc1c(Cl)cc(Cl)cc1CNCCC[NH+](C)C ZINC000020967952 182257368 /nfs/dbraw/zinc/25/73/68/182257368.db2.gz FAIZCKAAYWVJPQ-UHFFFAOYSA-N 1 0 319.276 3.824 10 0 DHAERO COc1ccc(Cn2c(N)[nH+]cc2-c2ccc(Cl)cc2)cc1 ZINC000022130290 182309961 /nfs/dbraw/zinc/30/99/61/182309961.db2.gz CMCOPPNCTAXISL-UHFFFAOYSA-N 1 0 313.788 3.843 10 0 DHAERO Brc1ccc2c(c1)[C@H]([NH2+]CCc1ccco1)CCO2 ZINC000037259131 182876613 /nfs/dbraw/zinc/87/66/13/182876613.db2.gz AMMXBKMHOQJMPM-CQSZACIVSA-N 1 0 322.202 3.698 10 0 DHAERO [NH3+]CCc1ccccc1OCc1ccccc1Br ZINC000037720488 182920167 /nfs/dbraw/zinc/92/01/67/182920167.db2.gz YMMKAXIQKAUNDC-UHFFFAOYSA-N 1 0 306.203 3.529 10 0 DHAERO CCN(Cc1ccc(Cl)s1)C(=O)CCC[NH2+]C(C)C ZINC000037800034 182927878 /nfs/dbraw/zinc/92/78/78/182927878.db2.gz IIJWQVXIXPKMNU-UHFFFAOYSA-N 1 0 302.871 3.528 10 0 DHAERO CC(C)[NH2+]Cc1ccc(Br)cc1N1CCC[C@H]1C ZINC000037911812 182936583 /nfs/dbraw/zinc/93/65/83/182936583.db2.gz DUTVYNGAESYWLX-GFCCVEGCSA-N 1 0 311.267 3.936 10 0 DHAERO CC(C)CCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000037984817 182954446 /nfs/dbraw/zinc/95/44/46/182954446.db2.gz RYGNONKWNQTWSO-GFCCVEGCSA-N 1 0 320.260 3.759 10 0 DHAERO FC(F)(F)c1cc(Br)ccc1NC1CC[NH2+]CC1 ZINC000038041445 182978493 /nfs/dbraw/zinc/97/84/93/182978493.db2.gz ZFZAHHGQXYLYAB-UHFFFAOYSA-N 1 0 323.156 3.632 10 0 DHAERO Cc1cc(C)cc(Nc2ncnc(Nc3cc[nH+]cc3)c2N)c1 ZINC000040681702 183117168 /nfs/dbraw/zinc/11/71/68/183117168.db2.gz ZWKVWOCPQMMJGN-UHFFFAOYSA-N 1 0 306.373 3.558 10 0 DHAERO CCN(Cc1cccs1)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000042317250 183253642 /nfs/dbraw/zinc/25/36/42/183253642.db2.gz QABXKCNPZBIVKT-LLVKDONJSA-N 1 0 300.880 3.985 10 0 DHAERO CC(C)C[N@H+](C(C)C)[C@H](CN)c1ccc(Br)cc1 ZINC000042579203 183287112 /nfs/dbraw/zinc/28/71/12/183287112.db2.gz FEIXWNXOQJMKSD-OAHLLOKOSA-N 1 0 313.283 3.815 10 0 DHAERO CC[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(C)C ZINC000042585523 183287974 /nfs/dbraw/zinc/28/79/74/183287974.db2.gz RXTHHEUVNIELPH-GFCCVEGCSA-N 1 0 314.223 3.702 10 0 DHAERO CC(C)N(CC(F)(F)F)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042746275 183304435 /nfs/dbraw/zinc/30/44/35/183304435.db2.gz PCBLLKCMXXZZRQ-QMMMGPOBSA-N 1 0 300.777 3.674 10 0 DHAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC000042903796 183317331 /nfs/dbraw/zinc/31/73/31/183317331.db2.gz PZDQUAMIAOJCQS-IAQYHMDHSA-N 1 0 306.203 3.916 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCC[C@@H]1C ZINC000042954010 183321979 /nfs/dbraw/zinc/32/19/79/183321979.db2.gz BEYZNGJQPATCIT-NILFDRSVSA-N 1 0 311.267 3.712 10 0 DHAERO CC(C)CCCO[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957906 183323427 /nfs/dbraw/zinc/32/34/27/183323427.db2.gz UGPHKXDCVUXCRE-CQSZACIVSA-N 1 0 300.240 3.902 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCCC[C@@H]1C ZINC000043019817 183328752 /nfs/dbraw/zinc/32/87/52/183328752.db2.gz QBOFAVBWNIOHLZ-YWPYICTPSA-N 1 0 311.267 3.712 10 0 DHAERO CC(C)c1nccn1[C@@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043022139 183329925 /nfs/dbraw/zinc/32/99/25/183329925.db2.gz ZTPULVKIBRDLHO-SMDDNHRTSA-N 1 0 322.250 3.706 10 0 DHAERO [NH3+]C[C@@H](Oc1cccc(F)c1)c1cccc(Br)c1 ZINC000043022716 183330949 /nfs/dbraw/zinc/33/09/49/183330949.db2.gz IEVDEEOMTNWOMG-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO COc1ccccc1O[C@@H](C[NH3+])c1ccccc1Br ZINC000043094402 183336589 /nfs/dbraw/zinc/33/65/89/183336589.db2.gz ZESSKNXKZPSXKH-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO Cc1nn([C@H](c2ccccc2Br)[C@@H](C)[NH3+])c(C)c1C ZINC000043093850 183336975 /nfs/dbraw/zinc/33/69/75/183336975.db2.gz CZSXKVJEIPQLAT-BMIGLBTASA-N 1 0 322.250 3.507 10 0 DHAERO COc1ccccc1[C@H](C[NH3+])Oc1ccc(Br)cc1 ZINC000043099100 183338206 /nfs/dbraw/zinc/33/82/06/183338206.db2.gz BAVQFIVZGRAGNT-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO CCN(CC(C)C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091357 183336257 /nfs/dbraw/zinc/33/62/57/183336257.db2.gz YAEYPDVEFDHFBY-IUODEOHRSA-N 1 0 313.283 3.815 10 0 DHAERO O=C(Nc1ccc2ccccc2c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104970980 194060580 /nfs/dbraw/zinc/06/05/80/194060580.db2.gz UFOXPSBFPZAAIP-GOSISDBHSA-N 1 0 309.413 3.542 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000105897151 194162352 /nfs/dbraw/zinc/16/23/52/194162352.db2.gz VCSXLZMXCJWGPR-SFHVURJKSA-N 1 0 320.440 3.831 10 0 DHAERO CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000106217796 194190501 /nfs/dbraw/zinc/19/05/01/194190501.db2.gz MAZYLVOQYDBGGN-HOTGVXAUSA-N 1 0 304.825 3.720 10 0 DHAERO CC[C@H]([NH2+]CCOc1cccc(Br)c1)C(C)C ZINC000049596135 183745510 /nfs/dbraw/zinc/74/55/10/183745510.db2.gz GLDCBSYBDXGUNG-AWEZNQCLSA-N 1 0 300.240 3.852 10 0 DHAERO CC[C@@H]([NH3+])[C@H](OC1CCC1)c1ccc(Br)s1 ZINC000050519320 183788461 /nfs/dbraw/zinc/78/84/61/183788461.db2.gz GQSCZAUEDHPUMR-SKDRFNHKSA-N 1 0 304.253 3.858 10 0 DHAERO CC[C@H]([NH3+])[C@H](OC1CCC1)c1ccc(Br)s1 ZINC000050519319 183788607 /nfs/dbraw/zinc/78/86/07/183788607.db2.gz GQSCZAUEDHPUMR-CABZTGNLSA-N 1 0 304.253 3.858 10 0 DHAERO [NH3+]C[C@@H](Nc1ccc(Br)cc1)c1ccccc1F ZINC000057653628 184044000 /nfs/dbraw/zinc/04/40/00/184044000.db2.gz VUPLSCMKSFXIIT-CQSZACIVSA-N 1 0 309.182 3.700 10 0 DHAERO C[C@H]([NH3+])c1ccc(Oc2cccc(CO)c2)c(Br)c1 ZINC000061699773 184183959 /nfs/dbraw/zinc/18/39/59/184183959.db2.gz SPAMKYVJDXLWED-JTQLQIEISA-N 1 0 322.202 3.753 10 0 DHAERO [NH3+][C@@H](c1ccc2c(c1)COC2)c1cccc(Br)c1 ZINC000062332244 184231204 /nfs/dbraw/zinc/23/12/04/184231204.db2.gz LOLILUUUAABIFL-OAHLLOKOSA-N 1 0 304.187 3.527 10 0 DHAERO [NH3+]CCc1ccc(OCc2ccsc2)c(Br)c1 ZINC000062703744 184247945 /nfs/dbraw/zinc/24/79/45/184247945.db2.gz YJHYTOBTARCPCI-UHFFFAOYSA-N 1 0 312.232 3.591 10 0 DHAERO Cc1cccc(CC[NH2+]Cc2ccc(O)c(Br)c2)c1 ZINC000062702835 184248220 /nfs/dbraw/zinc/24/82/20/184248220.db2.gz AMYHGQPKDZXGDT-UHFFFAOYSA-N 1 0 320.230 3.795 10 0 DHAERO Cc1cc(Br)ccc1O[C@@H](C)C[NH2+]CC(C)C ZINC000063062513 184268892 /nfs/dbraw/zinc/26/88/92/184268892.db2.gz YBYQEVQJWZOTFW-LBPRGKRZSA-N 1 0 300.240 3.770 10 0 DHAERO Cc1ccc(-c2ccsc2C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000193563098 335053358 /nfs/dbraw/zinc/05/33/58/335053358.db2.gz SLDONHOMWLRYNI-CJNGLKHVSA-N 1 0 314.454 3.594 10 0 DHAERO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccccn3)CC2)CC(C)(C)C1 ZINC000121362059 132154757 /nfs/dbraw/zinc/15/47/57/132154757.db2.gz ZPAPJXBIVKNGSO-WBVHZDCISA-N 1 0 301.478 3.855 10 0 DHAERO CCn1cnnc1C1CC[NH+](CCC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000151132723 196635638 /nfs/dbraw/zinc/63/56/38/196635638.db2.gz WNLZLRLYZCFWMW-HOTGVXAUSA-N 1 0 318.509 3.940 10 0 DHAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000186097457 332914601 /nfs/dbraw/zinc/91/46/01/332914601.db2.gz DJEWFADWILOJTH-OOMPSVGBSA-N 1 0 314.477 3.616 10 0 DHAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C[NH3+])cc1 ZINC000037799151 331586573 /nfs/dbraw/zinc/58/65/73/331586573.db2.gz BEBLLHFECYZXBG-UHFFFAOYSA-N 1 0 323.223 3.724 10 0 DHAERO C[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000038092816 331596534 /nfs/dbraw/zinc/59/65/34/331596534.db2.gz FIIUJVPWCNEENW-WBMJQRKESA-N 1 0 302.805 3.607 10 0 DHAERO C[NH2+]CCc1ccccc1C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000261705450 331790955 /nfs/dbraw/zinc/79/09/55/331790955.db2.gz PFMYUFXAEQGXKL-CQSZACIVSA-N 1 0 322.408 3.686 10 0 DHAERO c1coc([C@H]([NH2+]C[C@H]2CSCCS2)c2ccccc2)c1 ZINC000168447846 332567212 /nfs/dbraw/zinc/56/72/12/332567212.db2.gz DUIKRDOWNIVFKG-GOEBONIOSA-N 1 0 305.468 3.807 10 0 DHAERO Fc1ccc(Cl)c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000189028660 333061147 /nfs/dbraw/zinc/06/11/47/333061147.db2.gz PETPVGYLXNEZKC-ZDUSSCGKSA-N 1 0 319.811 3.808 10 0 DHAERO OC[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1c1ccsc1 ZINC000188141837 333242207 /nfs/dbraw/zinc/24/22/07/333242207.db2.gz ORZUNVONVKVHAK-ROUUACIJSA-N 1 0 324.449 3.504 10 0 DHAERO Cc1ccc(C)c(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190490510 333271506 /nfs/dbraw/zinc/27/15/06/333271506.db2.gz VBYSBBNSWCSRRF-HXUWFJFHSA-N 1 0 323.484 3.652 10 0 DHAERO COc1ccccc1C[C@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000123984119 333483136 /nfs/dbraw/zinc/48/31/36/333483136.db2.gz NNBDYBWBIHAEQQ-LPHOPBHVSA-N 1 0 312.457 3.519 10 0 DHAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000048769627 334296028 /nfs/dbraw/zinc/29/60/28/334296028.db2.gz AUDJRNKNXPMJNK-JTQLQIEISA-N 1 0 316.232 3.599 10 0 DHAERO Cc1nc(C2([NH2+]C[C@@H]3CCCC(F)(F)C3)CCCCC2)no1 ZINC000328672306 334747057 /nfs/dbraw/zinc/74/70/57/334747057.db2.gz IBKBRSGEYFOBLH-CYBMUJFWSA-N 1 0 313.392 3.953 10 0 DHAERO CC1(C)CCCC[C@@H]1c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 ZINC000329635721 336020949 /nfs/dbraw/zinc/02/09/49/336020949.db2.gz XZLOAIJQOYCRBK-RRFJBIMHSA-N 1 0 319.449 3.679 10 0 DHAERO Cc1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1F ZINC000103243162 336239170 /nfs/dbraw/zinc/23/91/70/336239170.db2.gz BFWSCISORKNULZ-QGZVFWFLSA-N 1 0 315.392 3.559 10 0 DHAERO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000192941194 336285413 /nfs/dbraw/zinc/28/54/13/336285413.db2.gz MERZOUFKHJQZNH-BEFAXECRSA-N 1 0 310.441 3.575 10 0 DHAERO Cc1nc(Cl)cc(N[C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000301197454 336294449 /nfs/dbraw/zinc/29/44/49/336294449.db2.gz KYVKBUMBTKOQSN-ZDUSSCGKSA-N 1 0 308.857 3.647 10 0 DHAERO Cc1cc(N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c2cccc(F)c2n1 ZINC000301680933 336323073 /nfs/dbraw/zinc/32/30/73/336323073.db2.gz RWVFBQXWYMYELI-FSPWUOQZSA-N 1 0 314.404 3.932 10 0 DHAERO Cc1cccc2c(N3CCN([C@H](C)C(F)(F)F)CC3)cc[nH+]c12 ZINC000301681462 336323139 /nfs/dbraw/zinc/32/31/39/336323139.db2.gz RZPXJKIGDXNTHV-CYBMUJFWSA-N 1 0 323.362 3.616 10 0 DHAERO COC(=O)c1cccc(CNc2cc[nH+]c3c(C)cccc23)c1 ZINC000301697812 336324217 /nfs/dbraw/zinc/32/42/17/336324217.db2.gz ZVLQWTGAFLSTEC-UHFFFAOYSA-N 1 0 306.365 3.942 10 0 DHAERO CC(=O)c1c(F)cccc1N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000302004608 336342629 /nfs/dbraw/zinc/34/26/29/336342629.db2.gz KJOZLNNXUXPCDK-AWEZNQCLSA-N 1 0 314.404 3.961 10 0 DHAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000105437387 336387442 /nfs/dbraw/zinc/38/74/42/336387442.db2.gz MJFKRQLUGDJMCX-MLGOLLRUSA-N 1 0 302.805 3.812 10 0 DHAERO c1ccc(COC2CC([NH2+][C@H]3CCOc4ccccc43)C2)cc1 ZINC000361667187 336768007 /nfs/dbraw/zinc/76/80/07/336768007.db2.gz OIISMIYYQGWSOC-TVPLGVNVSA-N 1 0 309.409 3.848 10 0 DHAERO O=C([C@H]1C[C@H]1C1CCCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000120454478 336912210 /nfs/dbraw/zinc/91/22/10/336912210.db2.gz HSXDWLBRRMEWIU-OALUTQOASA-N 1 0 318.505 3.537 10 0 DHAERO COCc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000122758505 337023310 /nfs/dbraw/zinc/02/33/10/337023310.db2.gz CNZGFIPRGKWMTP-SFHVURJKSA-N 1 0 313.445 3.520 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnc(-c2cccs2)s1 ZINC000123420858 337048065 /nfs/dbraw/zinc/04/80/65/337048065.db2.gz HKNFYNNTGGKCMB-CYBMUJFWSA-N 1 0 321.515 3.788 10 0 DHAERO Cc1csc([C@H]2CCC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)n1 ZINC000170748651 337083044 /nfs/dbraw/zinc/08/30/44/337083044.db2.gz QWGZRLPOOGLXMA-LBPRGKRZSA-N 1 0 324.881 3.526 10 0 DHAERO O=C(CC[N@@H+]1CCC[C@H]1c1ccco1)Nc1ccccc1F ZINC000172026496 337091091 /nfs/dbraw/zinc/09/10/91/337091091.db2.gz DFBAXLBQBBJXPC-HNNXBMFYSA-N 1 0 302.349 3.584 10 0 DHAERO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000393840427 337094114 /nfs/dbraw/zinc/09/41/14/337094114.db2.gz SGEFJEGQSHZBQT-OLZOCXBDSA-N 1 0 312.276 3.920 10 0 DHAERO C[C@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)CCS1 ZINC000173663596 337137253 /nfs/dbraw/zinc/13/72/53/337137253.db2.gz YLINNYKJAILZDW-NSHDSACASA-N 1 0 305.365 3.565 10 0 DHAERO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000177418073 337155895 /nfs/dbraw/zinc/15/58/95/337155895.db2.gz PFAJCGXLCVYCEX-MOPGFXCFSA-N 1 0 318.505 3.726 10 0 DHAERO CC[C@@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)C1CCCCC1 ZINC000180506243 337176058 /nfs/dbraw/zinc/17/60/58/337176058.db2.gz BUNLLDLNMKQVDL-HZPDHXFCSA-N 1 0 304.482 3.665 10 0 DHAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1oc3ccccc3c1C)CC2 ZINC000180619956 337176660 /nfs/dbraw/zinc/17/66/60/337176660.db2.gz HYQZOQFPECAAHX-ZIAGYGMSSA-N 1 0 324.428 3.561 10 0 DHAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1oc3ccccc3c1C)CC2 ZINC000180619976 337176700 /nfs/dbraw/zinc/17/67/00/337176700.db2.gz HYQZOQFPECAAHX-KGLIPLIRSA-N 1 0 324.428 3.561 10 0 DHAERO CC[C@@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1cccs1 ZINC000180634953 337176835 /nfs/dbraw/zinc/17/68/35/337176835.db2.gz AMCPSHXMVATZTG-CHWSQXEVSA-N 1 0 304.463 3.519 10 0 DHAERO CCC[C@@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1 ZINC000180634480 337176845 /nfs/dbraw/zinc/17/68/45/337176845.db2.gz JPXOGVRXHMGSQN-DLBZAZTESA-N 1 0 312.461 3.847 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[C@H](C)c3ccccc31)CC2 ZINC000180647380 337177005 /nfs/dbraw/zinc/17/70/05/337177005.db2.gz SYUCYCKTVGDEDP-HDMKZQKVSA-N 1 0 324.472 3.945 10 0 DHAERO CCn1cc(C2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)cn1 ZINC000181046806 337179439 /nfs/dbraw/zinc/17/94/39/337179439.db2.gz DPNLTQMOFMINRW-AWEZNQCLSA-N 1 0 324.428 3.985 10 0 DHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)[C@@H](C)C2 ZINC000182688332 337189450 /nfs/dbraw/zinc/18/94/50/337189450.db2.gz NZCLWDPCLWZZQJ-BEVDRBHNSA-N 1 0 322.452 3.647 10 0 DHAERO C[C@@H]([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)[C@@H]1CCCO1 ZINC000183104055 337190037 /nfs/dbraw/zinc/19/00/37/337190037.db2.gz OLUKRYOVBMVFQO-RISCZKNCSA-N 1 0 306.793 3.652 10 0 DHAERO c1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccccc1)C1CCCCC1)CC2 ZINC000183318970 337192926 /nfs/dbraw/zinc/19/29/26/337192926.db2.gz KRTBPBCYDXFVPB-MJGOQNOKSA-N 1 0 310.445 3.504 10 0 DHAERO Cn1cc([C@H]2CCC[N@@H+]2CC2CCC(C(F)(F)F)CC2)cn1 ZINC000185509482 337248651 /nfs/dbraw/zinc/24/86/51/337248651.db2.gz QQIVISXEQKRSRA-PESDSKBTSA-N 1 0 315.383 3.926 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1cccc(F)c1 ZINC000188184407 337271137 /nfs/dbraw/zinc/27/11/37/337271137.db2.gz GKYOUTFXFPDNQW-CVEARBPZSA-N 1 0 316.424 3.596 10 0 DHAERO COc1ccc(N[C@H]2CCCC[C@H]2C(=O)N2CCCCC2)cc1 ZINC000584606283 337371675 /nfs/dbraw/zinc/37/16/75/337371675.db2.gz RNRFPCCSPSLMPE-MSOLQXFVSA-N 1 0 316.445 3.678 10 0 DHAERO COCCCOc1cc2c(cc1OC)C=N[C@@H](C(C)(C)C)C2 ZINC000584606147 337371697 /nfs/dbraw/zinc/37/16/97/337371697.db2.gz GZAXORCUMWRYRG-QGZVFWFLSA-N 1 0 305.418 3.500 10 0 DHAERO COc1ccc(N[C@@H]2CCCC[C@H]2C(=O)N2CCCCC2)cc1 ZINC000584606284 337371708 /nfs/dbraw/zinc/37/17/08/337371708.db2.gz RNRFPCCSPSLMPE-QZTJIDSGSA-N 1 0 316.445 3.678 10 0 DHAERO C[NH+](C)C1CCC(Nc2ncnc3ccc(C4CC4)cc32)CC1 ZINC000584615114 337372819 /nfs/dbraw/zinc/37/28/19/337372819.db2.gz KDYOOMNKHFSPSS-UHFFFAOYSA-N 1 0 310.445 3.792 10 0 DHAERO O[C@@H]1CC2=C(C[C@H]([NH+]3CCCCC3)C2)C[C@@H]1Oc1ccccc1 ZINC000584618610 337373197 /nfs/dbraw/zinc/37/31/97/337373197.db2.gz RDTJXAFWVDQGMX-RLLQIKCJSA-N 1 0 313.441 3.534 10 0 DHAERO CCCCC[NH+]1CCC(c2cccc(O)c2)([C@H](O)CC)CC1 ZINC000584636769 337379357 /nfs/dbraw/zinc/37/93/57/337379357.db2.gz ABJFKMUFTGDELC-GOSISDBHSA-N 1 0 305.462 3.687 10 0 DHAERO COc1cc2c(cc1OC)[C@@H]1C[C@@H](c3ccccc3)C[N@@H+]1CC2 ZINC000584649267 337380573 /nfs/dbraw/zinc/38/05/73/337380573.db2.gz GGMQYTBZZVMOEE-AEFFLSMTSA-N 1 0 309.409 3.791 10 0 DHAERO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000123964675 337402454 /nfs/dbraw/zinc/40/24/54/337402454.db2.gz ROFCGGDZGYFNAG-OAHLLOKOSA-N 1 0 308.429 3.779 10 0 DHAERO C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1cccs1 ZINC000139250515 337458439 /nfs/dbraw/zinc/45/84/39/337458439.db2.gz DDXULLKVIOAUSM-AWEZNQCLSA-N 1 0 314.454 3.835 10 0 DHAERO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000245921517 337498030 /nfs/dbraw/zinc/49/80/30/337498030.db2.gz QTLDPWOPSFJRNY-HLLBOEOZSA-N 1 0 324.472 3.863 10 0 DHAERO Brc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000070070276 337546237 /nfs/dbraw/zinc/54/62/37/337546237.db2.gz QXHFSJRCWMATFH-AWEZNQCLSA-N 1 0 304.187 3.672 10 0 DHAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc(F)cc1OC(F)F ZINC000247187368 337558252 /nfs/dbraw/zinc/55/82/52/337558252.db2.gz VPQVXHQREVLFQI-OUJBWJOFSA-N 1 0 303.324 3.645 10 0 DHAERO COc1ccccc1C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)C(C)C ZINC000248874807 337568100 /nfs/dbraw/zinc/56/81/00/337568100.db2.gz QYLRDFDJJMAXMZ-WSTZPKSXSA-N 1 0 317.473 3.810 10 0 DHAERO COc1ccccc1C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)C(C)C ZINC000248874802 337568122 /nfs/dbraw/zinc/56/81/22/337568122.db2.gz QYLRDFDJJMAXMZ-CMKODMSKSA-N 1 0 317.473 3.810 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)c2cccs2)C12CCOCC2 ZINC000248924678 337568609 /nfs/dbraw/zinc/56/86/09/337568609.db2.gz FPHHYSULASSQEF-FVQBIDKESA-N 1 0 309.475 3.763 10 0 DHAERO Cc1ccc(S[C@@H](C)c2nc(C3([NH3+])CCCC3)no2)cc1 ZINC000261626031 337606733 /nfs/dbraw/zinc/60/67/33/337606733.db2.gz CEMWSMRDBYUACK-LBPRGKRZSA-N 1 0 303.431 3.959 10 0 DHAERO Cc1nc(-c2ccccc2)c(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])s1 ZINC000261641466 337607090 /nfs/dbraw/zinc/60/70/90/337607090.db2.gz CNZHRSJHDBSTFM-UONOGXRCSA-N 1 0 315.442 3.575 10 0 DHAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000261731046 337609290 /nfs/dbraw/zinc/60/92/90/337609290.db2.gz KWGCEWUCYRQDIE-KBAYOESNSA-N 1 0 318.436 3.548 10 0 DHAERO C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000261844811 337611504 /nfs/dbraw/zinc/61/15/04/337611504.db2.gz VEZXUOOSLYHGRX-BCJPGKFFSA-N 1 0 320.864 3.528 10 0 DHAERO CC(C)(CCCc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262045079 337614693 /nfs/dbraw/zinc/61/46/93/337614693.db2.gz QMNIDSFYLUDGCY-QGZVFWFLSA-N 1 0 316.489 3.621 10 0 DHAERO CCCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000119803582 337865970 /nfs/dbraw/zinc/86/59/70/337865970.db2.gz JEKDSYSBKRXVAJ-MSOLQXFVSA-N 1 0 306.494 3.584 10 0 DHAERO COc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c(F)c1 ZINC000122861455 337924641 /nfs/dbraw/zinc/92/46/41/337924641.db2.gz RXPMTWUEZGZVSJ-OLZOCXBDSA-N 1 0 303.377 3.822 10 0 DHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000153798595 338231259 /nfs/dbraw/zinc/23/12/59/338231259.db2.gz PNHBOOMYRFEZGY-YUTCNCBUSA-N 1 0 310.507 3.951 10 0 DHAERO C[C@@H]([NH2+]CCc1cccs1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400465584 340147351 /nfs/dbraw/zinc/14/73/51/340147351.db2.gz SVEVBDBXCRYXNY-KGLIPLIRSA-N 1 0 324.490 3.526 10 0 DHAERO C[C@H]([NH2+]CCCC(F)(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400468946 340147435 /nfs/dbraw/zinc/14/74/35/340147435.db2.gz UMWJUNFCMRFTIA-RYUDHWBXSA-N 1 0 324.387 3.564 10 0 DHAERO Cc1ccc([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)o1 ZINC000173189622 340359888 /nfs/dbraw/zinc/35/98/88/340359888.db2.gz RCDSVAABYCTJFT-KRWDZBQOSA-N 1 0 318.461 3.762 10 0 DHAERO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000173387849 340363921 /nfs/dbraw/zinc/36/39/21/340363921.db2.gz QVWWSIXJBVJITD-HEHGZKQESA-N 1 0 323.868 3.525 10 0 DHAERO CC(C)[NH+](CCCNC(=O)N[C@@H](C)c1cccs1)C(C)C ZINC000174118777 340382341 /nfs/dbraw/zinc/38/23/41/340382341.db2.gz ZRAFBZKVEWMNLZ-AWEZNQCLSA-N 1 0 311.495 3.617 10 0 DHAERO CC(C)[NH+](CCCNC(=O)N[C@H](C)c1cccs1)C(C)C ZINC000174118791 340382407 /nfs/dbraw/zinc/38/24/07/340382407.db2.gz ZRAFBZKVEWMNLZ-CQSZACIVSA-N 1 0 311.495 3.617 10 0 DHAERO CC(C)(C)n1cc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000037318815 340785073 /nfs/dbraw/zinc/78/50/73/340785073.db2.gz WCZBCXOUZPQSAF-OLZOCXBDSA-N 1 0 303.372 3.849 10 0 DHAERO C[C@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000136139982 341253732 /nfs/dbraw/zinc/25/37/32/341253732.db2.gz DOPHEWZDQRYBJU-ZUZCIYMTSA-N 1 0 315.244 3.703 10 0 DHAERO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245201865 341285469 /nfs/dbraw/zinc/28/54/69/341285469.db2.gz NRTHCDHYJIRTCE-WHOHXGKFSA-N 1 0 314.882 3.840 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cccc(Br)c1 ZINC000245454161 341294996 /nfs/dbraw/zinc/29/49/96/341294996.db2.gz GUBOIMGFYDSKPK-WHOFXGATSA-N 1 0 312.251 3.651 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cccc(Br)c1 ZINC000245454160 341294998 /nfs/dbraw/zinc/29/49/98/341294998.db2.gz GUBOIMGFYDSKPK-CORIIIEPSA-N 1 0 312.251 3.651 10 0 DHAERO CCC[C@@H](C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000245913240 341318093 /nfs/dbraw/zinc/31/80/93/341318093.db2.gz VYEOEYNDWZBLLF-MJGOQNOKSA-N 1 0 312.461 3.574 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247010258 341359871 /nfs/dbraw/zinc/35/98/71/341359871.db2.gz LDLFFURGAFXKAU-ZNMIVQPWSA-N 1 0 317.502 3.862 10 0 DHAERO CC(C)[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000247141741 341361406 /nfs/dbraw/zinc/36/14/06/341361406.db2.gz JSHZIXWBXPWHTA-WDSOQIARSA-N 1 0 314.473 3.511 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)c1cc(F)ccc1F ZINC000247187966 341362112 /nfs/dbraw/zinc/36/21/12/341362112.db2.gz WJYOSFQAPUFCRN-IUODEOHRSA-N 1 0 305.372 3.695 10 0 DHAERO CCCCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(CC)o1 ZINC000248662462 341383657 /nfs/dbraw/zinc/38/36/57/341383657.db2.gz YHSLVVJZNIASKA-RDJZCZTQSA-N 1 0 309.450 3.547 10 0 DHAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1CCC(C(F)(F)F)CC1 ZINC000248702866 341384670 /nfs/dbraw/zinc/38/46/70/341384670.db2.gz GQJJUIRHZAANBY-URGYJCLVSA-N 1 0 304.400 3.524 10 0 DHAERO C[C@@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000253158756 341448423 /nfs/dbraw/zinc/44/84/23/341448423.db2.gz RJJUGYCKRLUOIF-GPCCPHFNSA-N 1 0 315.244 3.559 10 0 DHAERO [NH3+][C@H]1CCC[C@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)C1 ZINC000262012394 341511167 /nfs/dbraw/zinc/51/11/67/341511167.db2.gz WLRHXLYNWSVTKV-VMJZLSGTSA-N 1 0 301.434 3.522 10 0 DHAERO c1ccc2c(c1)OC1(CCCC1)C[C@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000178430542 341954308 /nfs/dbraw/zinc/95/43/08/341954308.db2.gz ZFOCKQDVSBQOHS-DOTOQJQBSA-N 1 0 301.430 3.839 10 0 DHAERO C[C@H]1CC(C[NH2+]Cc2ccsc2Br)C[C@H](C)O1 ZINC000527701881 518183955 /nfs/dbraw/zinc/18/39/55/518183955.db2.gz BEJPPCYNDVTMNA-UWVGGRQHSA-N 1 0 318.280 3.804 10 0 DHAERO CC(=O)NC1CCC([NH2+][C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000155234990 519646014 /nfs/dbraw/zinc/64/60/14/519646014.db2.gz KKGVATXALJZLCY-AOEDZNLZSA-N 1 0 300.446 3.662 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCCCc3ccccc31)CC2 ZINC000177442451 519897488 /nfs/dbraw/zinc/89/74/88/519897488.db2.gz BEWFUIMVDNFLJH-AEFFLSMTSA-N 1 0 324.472 3.774 10 0 DHAERO CC(C)n1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)cn1 ZINC000180241162 519950285 /nfs/dbraw/zinc/95/02/85/519950285.db2.gz IXARQAWALIPTAB-MOPGFXCFSA-N 1 0 313.445 3.552 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000157643480 520720693 /nfs/dbraw/zinc/72/06/93/520720693.db2.gz JOZDJGLYWWHTLB-QGZVFWFLSA-N 1 0 316.832 3.751 10 0 DHAERO CCc1csc([C@@H]2CCC[N@H+](Cc3cncc(C)c3)C2)n1 ZINC000189830959 522113781 /nfs/dbraw/zinc/11/37/81/522113781.db2.gz NUOUWABXQDTIPK-OAHLLOKOSA-N 1 0 301.459 3.789 10 0 DHAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000188131902 522514526 /nfs/dbraw/zinc/51/45/26/522514526.db2.gz XSKDJZNTKNBIKV-FUHIMQAGSA-N 1 0 324.472 3.775 10 0 DHAERO CC[C@@H]([NH2+]Cc1nnc(C(C)C)n1C)C(C)(C)c1ccccc1 ZINC000180004931 522896377 /nfs/dbraw/zinc/89/63/77/522896377.db2.gz CZHUJFXCRCMPGY-MRXNPFEDSA-N 1 0 314.477 3.785 10 0 DHAERO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000154927601 523090852 /nfs/dbraw/zinc/09/08/52/523090852.db2.gz QTOUSZKVRKIYEU-KRWDZBQOSA-N 1 0 314.408 3.643 10 0 DHAERO CCn1cc([C@@H]2C[N@H+](Cc3cccc4ccccc43)CCO2)cn1 ZINC000191699602 523467654 /nfs/dbraw/zinc/46/76/54/523467654.db2.gz PEJZAEWWCLYYLJ-FQEVSTJZSA-N 1 0 321.424 3.630 10 0 DHAERO CCn1cnnc1C1CC[NH+]([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000105928439 523583463 /nfs/dbraw/zinc/58/34/63/523583463.db2.gz SYKOFWRHCKSBCI-LBPRGKRZSA-N 1 0 320.387 3.517 10 0 DHAERO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000156970230 524028056 /nfs/dbraw/zinc/02/80/56/524028056.db2.gz PPTYWBWYRZVSLA-OAHLLOKOSA-N 1 0 302.443 3.840 10 0 DHAERO COc1ccccc1C[C@H]([NH2+]CCc1nccs1)C(C)C ZINC000127990218 524512656 /nfs/dbraw/zinc/51/26/56/524512656.db2.gz VVKUHGHTQRAWFR-HNNXBMFYSA-N 1 0 304.459 3.551 10 0 DHAERO Cc1cccc([C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C(C)(C)C)c1 ZINC000246521901 524882972 /nfs/dbraw/zinc/88/29/72/524882972.db2.gz RFBIEOHKTVRPPB-ZACQAIPSSA-N 1 0 302.462 3.716 10 0 DHAERO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180526897 524964002 /nfs/dbraw/zinc/96/40/02/524964002.db2.gz QTLDPWOPSFJRNY-BFYDXBDKSA-N 1 0 324.472 3.863 10 0 DHAERO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000156824622 525015031 /nfs/dbraw/zinc/01/50/31/525015031.db2.gz RULNBOHAPUAUQF-QWHCGFSZSA-N 1 0 300.427 3.760 10 0 DHAERO C[C@@H](NCc1ccc2ccccc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102330 525530695 /nfs/dbraw/zinc/53/06/95/525530695.db2.gz AZRIEPPDEZLMEY-SJLPKXTDSA-N 1 0 323.484 3.977 10 0 DHAERO C[C@@H]([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)[C@H]1CCCO1 ZINC000183089298 525552962 /nfs/dbraw/zinc/55/29/62/525552962.db2.gz YYRIYUZBKUGMOG-IAQYHMDHSA-N 1 0 306.793 3.652 10 0 DHAERO COc1ccc2oc(C[N@@H+]3CCC[C@@H]3c3cnn(C)c3)cc2c1 ZINC000131972417 525683576 /nfs/dbraw/zinc/68/35/76/525683576.db2.gz HUMQZQCKIALVQL-QGZVFWFLSA-N 1 0 311.385 3.512 10 0 DHAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(-c2cccs2)cc1 ZINC000180586278 525693777 /nfs/dbraw/zinc/69/37/77/525693777.db2.gz PYRIYOFTOIGQCM-CJNGLKHVSA-N 1 0 324.453 3.672 10 0 DHAERO Cc1ccc([C@@H]([NH2+][C@H]2CCc3nnc(C(C)C)n3C2)C2CC2)cc1 ZINC000180534237 525776446 /nfs/dbraw/zinc/77/64/46/525776446.db2.gz WMHGWWBKWDYVOZ-PKOBYXMFSA-N 1 0 324.472 3.766 10 0 DHAERO Cc1c([C@@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)cnn1C(C)(C)C ZINC000191266870 525899374 /nfs/dbraw/zinc/89/93/74/525899374.db2.gz BTHPTOZGZWZBML-UONOGXRCSA-N 1 0 315.461 3.934 10 0 DHAERO Cc1ccc([C@H](C)NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1F ZINC000237422894 525904755 /nfs/dbraw/zinc/90/47/55/525904755.db2.gz FPJRJRBIBMZAKU-SUNYJGFJSA-N 1 0 314.404 3.647 10 0 DHAERO Cc1cnn(CCCCC[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000181628459 526260742 /nfs/dbraw/zinc/26/07/42/526260742.db2.gz XSXQXFVEGNUVFM-AWEZNQCLSA-N 1 0 307.388 3.991 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@H+](CCCc3ccccc3C)C2)no1 ZINC000175904003 526919762 /nfs/dbraw/zinc/91/97/62/526919762.db2.gz LDHSXJSDRREYQO-KRWDZBQOSA-N 1 0 313.445 3.574 10 0 DHAERO [NH3+]CCCc1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000040173831 527183312 /nfs/dbraw/zinc/18/33/12/527183312.db2.gz FBRTUSNNNPHSDB-UHFFFAOYSA-N 1 0 318.229 3.560 10 0 DHAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(Oc4ccccc4)o3)C2)cn1 ZINC000180436150 527301139 /nfs/dbraw/zinc/30/11/39/527301139.db2.gz CHOSDGKLKPVOEW-OAHLLOKOSA-N 1 0 323.396 3.795 10 0 DHAERO OC[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1c1ccsc1 ZINC000188080357 527596270 /nfs/dbraw/zinc/59/62/70/527596270.db2.gz BQMGOTHNMUGTFG-HOCLYGCPSA-N 1 0 307.846 3.609 10 0 DHAERO Cc1ccc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1Cl ZINC000675055801 563909883 /nfs/dbraw/zinc/90/98/83/563909883.db2.gz YIXPAEGJGMDTFJ-ZFWWWQNUSA-N 1 0 324.852 3.966 10 0 DHAERO Brc1cscc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712542760 563321693 /nfs/dbraw/zinc/32/16/93/563321693.db2.gz OVBXILOTWSGKES-SNVBAGLBSA-N 1 0 300.246 3.807 10 0 DHAERO CCOc1ccc2ccccc2c1C[NH2+]CCCn1ccnc1 ZINC000010314074 563356152 /nfs/dbraw/zinc/35/61/52/563356152.db2.gz STPZJCKSSMUILT-UHFFFAOYSA-N 1 0 309.413 3.615 10 0 DHAERO C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000068592780 563494516 /nfs/dbraw/zinc/49/45/16/563494516.db2.gz MIYNQZRSMKSJTR-UXLLHSPISA-N 1 0 318.461 3.810 10 0 DHAERO Cc1ccc(F)cc1[C@@H]1C[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675052481 563780563 /nfs/dbraw/zinc/78/05/63/563780563.db2.gz AOSAJJZXDKSXQT-HIFRSBDPSA-N 1 0 308.397 3.533 10 0 DHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000190436704 563809417 /nfs/dbraw/zinc/80/94/17/563809417.db2.gz PBBFZKYDZGHBJD-XSLAGTTESA-N 1 0 317.477 3.682 10 0 DHAERO Cc1c(Cl)cccc1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675053135 563856519 /nfs/dbraw/zinc/85/65/19/563856519.db2.gz GLCGQBFCIAZGQP-IUODEOHRSA-N 1 0 324.852 3.966 10 0 DHAERO Cc1ccc(F)c([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675054281 563861999 /nfs/dbraw/zinc/86/19/99/563861999.db2.gz MSJHDHLGDHJAQE-IUODEOHRSA-N 1 0 308.397 3.533 10 0 DHAERO Cc1cc(C)cc([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675054640 563868944 /nfs/dbraw/zinc/86/89/44/563868944.db2.gz OSOPWKKPPMGEAQ-CVEARBPZSA-N 1 0 304.434 3.703 10 0 DHAERO Cc1cc(C)cc([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675054659 563869139 /nfs/dbraw/zinc/86/91/39/563869139.db2.gz OSOPWKKPPMGEAQ-JKSUJKDBSA-N 1 0 304.434 3.703 10 0 DHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccc(Cl)cc1 ZINC000675055590 563909923 /nfs/dbraw/zinc/90/99/23/563909923.db2.gz VPMWPIUETPCXLE-KGLIPLIRSA-N 1 0 310.825 3.739 10 0 DHAERO Brc1cc([C@@H]2[NH2+]CCc3sccc32)cs1 ZINC000397120714 568415004 /nfs/dbraw/zinc/41/50/04/568415004.db2.gz MOFCIDAYUGXIJO-NSHDSACASA-N 1 0 300.246 3.807 10 0 DHAERO CC1CC[NH+]([C@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000685952467 568422158 /nfs/dbraw/zinc/42/21/58/568422158.db2.gz MIHYOSXTIZUTCL-GOSISDBHSA-N 1 0 310.482 3.898 10 0 DHAERO Cc1ncc([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)s1 ZINC000090419245 1032399703 /nfs/dbraw/zinc/39/97/03/1032399703.db2.gz ASPZDJAUDMLCNV-NSHDSACASA-N 1 0 307.488 3.833 10 0 DHAERO Cc1cc(C[C@@H](C)[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)[nH]n1 ZINC000090532842 1032406474 /nfs/dbraw/zinc/40/64/74/1032406474.db2.gz YUMMKPRDRIXVAD-BDJLRTHQSA-N 1 0 317.408 3.680 10 0 DHAERO Cn1cccc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387336 1032535727 /nfs/dbraw/zinc/53/57/27/1032535727.db2.gz ZOPKIBJQNKTGGF-QGZVFWFLSA-N 1 0 320.440 3.795 10 0 DHAERO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1cc(C)ccc1OC ZINC000093404528 1019600002 /nfs/dbraw/zinc/60/00/02/1019600002.db2.gz ROMLKPRLXMDSTF-NSHGMRRFSA-N 1 0 311.425 3.703 10 0 DHAERO Cc1cc(Cl)ccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000047325763 1025616030 /nfs/dbraw/zinc/61/60/30/1025616030.db2.gz KECUODOYAVOFTA-UHFFFAOYSA-N 1 0 321.852 3.741 10 0 DHAERO COc1ccccc1C[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)C(C)C ZINC000090084639 185281237 /nfs/dbraw/zinc/28/12/37/185281237.db2.gz FMCPLZMSULAQQO-NVXWUHKLSA-N 1 0 307.478 3.649 10 0 DHAERO Cc1[nH+]c(NN)cc(-c2ccc(Cl)cc2)c1Br ZINC000090613215 185307051 /nfs/dbraw/zinc/30/70/51/185307051.db2.gz CMQOAGHLXREDLS-UHFFFAOYSA-N 1 0 312.598 3.759 10 0 DHAERO CCOc1cccc(C[NH+]2CCC(c3cnn(CC)c3)CC2)c1 ZINC000092809103 185342736 /nfs/dbraw/zinc/34/27/36/185342736.db2.gz FWZJPMMATONIQG-UHFFFAOYSA-N 1 0 313.445 3.681 10 0 DHAERO CC[C@@H]([NH3+])Cc1cc(Br)c(OC(C)C)c(OC)c1 ZINC000037725067 190665301 /nfs/dbraw/zinc/66/53/01/190665301.db2.gz BRBACEXCZJDQAW-LLVKDONJSA-N 1 0 316.239 3.525 10 0 DHAERO CC(C)[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000236721774 201982678 /nfs/dbraw/zinc/98/26/78/201982678.db2.gz BGMOBGOSQXBRLA-ZENOOKHLSA-N 1 0 308.853 3.671 10 0 DHAERO c1cn(CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2)cn1 ZINC000004155456 181079160 /nfs/dbraw/zinc/07/91/60/181079160.db2.gz PMZQADZMKRQCHH-UHFFFAOYSA-N 1 0 321.424 3.642 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000236803763 202016778 /nfs/dbraw/zinc/01/67/78/202016778.db2.gz QXNSCCMKGLIMJQ-DLBZAZTESA-N 1 0 302.462 3.775 10 0 DHAERO C[C@H]1CN(C(=O)Oc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1 ZINC000073655259 191337766 /nfs/dbraw/zinc/33/77/66/191337766.db2.gz JANPZMRGLPTFBP-QFBILLFUSA-N 1 0 324.424 3.686 10 0 DHAERO CCc1nc(-c2ccc(C)cc2)nc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000073684763 191341648 /nfs/dbraw/zinc/34/16/48/191341648.db2.gz VWYOQCHTZACXOW-INIZCTEOSA-N 1 0 324.472 3.734 10 0 DHAERO Clc1ccc(-c2nc(Cl)cc(N[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000073737659 191349618 /nfs/dbraw/zinc/34/96/18/191349618.db2.gz SKQHXAKWHVZXKR-LBPRGKRZSA-N 1 0 323.227 3.614 10 0 DHAERO CCOC(=O)[C@H](c1ccccc1)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000005326292 181229432 /nfs/dbraw/zinc/22/94/32/181229432.db2.gz ZJRYRGYVCLTRCT-MSOLQXFVSA-N 1 0 303.446 3.844 10 0 DHAERO CCC(CC)(NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000236914845 202069023 /nfs/dbraw/zinc/06/90/23/202069023.db2.gz RGPJJDSGIUXJRQ-DOMZBBRYSA-N 1 0 308.853 3.599 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC000236959072 202093079 /nfs/dbraw/zinc/09/30/79/202093079.db2.gz WLDBZWLNJZYQAA-JTQLQIEISA-N 1 0 309.460 3.554 10 0 DHAERO O=C(O[C@@H]1C[NH+]2CCC1CC2)C1(c2ccccc2)CCCCC1 ZINC000006095976 181312717 /nfs/dbraw/zinc/31/27/17/181312717.db2.gz DGCDVGUAZJYESZ-GOSISDBHSA-N 1 0 313.441 3.526 10 0 DHAERO c1cc(C[N@@H+]2CCC[C@@H](Nc3cccc4cnccc43)C2)co1 ZINC000090755302 192927946 /nfs/dbraw/zinc/92/79/46/192927946.db2.gz PQYIJTVJVOBMLV-QGZVFWFLSA-N 1 0 307.397 3.904 10 0 DHAERO Cc1cccc2c1C1(C[C@@H]2[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000091302964 193035253 /nfs/dbraw/zinc/03/52/53/193035253.db2.gz UQMQQMHXXSGSRR-HNNXBMFYSA-N 1 0 316.445 3.667 10 0 DHAERO CC(C)(C)OC(=O)N1C[C@H]([C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000261508568 203073179 /nfs/dbraw/zinc/07/31/79/203073179.db2.gz USLPNLMUGNPBHI-UKRRQHHQSA-N 1 0 302.418 3.525 10 0 DHAERO CCOC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093419181 193248939 /nfs/dbraw/zinc/24/89/39/193248939.db2.gz PHCNGFXVNYJSRP-MRXNPFEDSA-N 1 0 313.445 3.634 10 0 DHAERO Oc1cc2c(cc1Cl)CC[C@H](C[NH2+]Cc1ccccc1)O2 ZINC000013775965 181894691 /nfs/dbraw/zinc/89/46/91/181894691.db2.gz BCTPODDQZONFKA-CQSZACIVSA-N 1 0 303.789 3.529 10 0 DHAERO CC(=O)Nc1ccc(Sc2ccc(F)cc2[C@@H](C)[NH3+])cc1 ZINC000019231260 182109456 /nfs/dbraw/zinc/10/94/56/182109456.db2.gz PQYHUYGCCLRLLV-SNVBAGLBSA-N 1 0 304.390 3.955 10 0 DHAERO O=C(C[NH2+]Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000019232833 182110105 /nfs/dbraw/zinc/11/01/05/182110105.db2.gz NYWHAGSEGZKSPO-UHFFFAOYSA-N 1 0 309.196 3.722 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)cc2F)cc1 ZINC000019427962 182123160 /nfs/dbraw/zinc/12/31/60/182123160.db2.gz KYHYXKYIRKNDAM-CQSZACIVSA-N 1 0 310.166 3.645 10 0 DHAERO Cc1ccc(NC(=O)CCCCCC[NH3+])c(Br)c1 ZINC000019427641 182123198 /nfs/dbraw/zinc/12/31/98/182123198.db2.gz ACOKPLLQLZOWHK-UHFFFAOYSA-N 1 0 313.239 3.605 10 0 DHAERO CN(c1ccccc1)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000019437452 182122981 /nfs/dbraw/zinc/12/29/81/182122981.db2.gz YZDDDENACDLVFJ-OAHLLOKOSA-N 1 0 305.219 3.585 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2cc(F)ccc2Br)cc1 ZINC000019414750 182122433 /nfs/dbraw/zinc/12/24/33/182122433.db2.gz JZEJAGNGXTUMQJ-CQSZACIVSA-N 1 0 310.166 3.645 10 0 DHAERO COc1cc([C@@H]([NH3+])c2ccc(Br)cc2)ccc1C ZINC000019514162 182127230 /nfs/dbraw/zinc/12/72/30/182127230.db2.gz DPBBORSRERNHRF-HNNXBMFYSA-N 1 0 306.203 3.814 10 0 DHAERO [NH3+]C[C@@H](c1ccccc1Br)N1CCc2ccccc21 ZINC000019475195 182124355 /nfs/dbraw/zinc/12/43/55/182124355.db2.gz SZJJTWNXFXFMJB-INIZCTEOSA-N 1 0 317.230 3.512 10 0 DHAERO CN([C@H](C[NH3+])c1ccccc1Br)C1CCCCC1 ZINC000019478924 182124891 /nfs/dbraw/zinc/12/48/91/182124891.db2.gz YEDJQQOVIVSVRK-OAHLLOKOSA-N 1 0 311.267 3.713 10 0 DHAERO C[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000019777669 182147886 /nfs/dbraw/zinc/14/78/86/182147886.db2.gz BNKSIWRYYSJAFF-UHFFFAOYSA-N 1 0 305.805 3.955 10 0 DHAERO CCOc1ccc([C@@H]([NH3+])c2cccc(Br)c2)cc1 ZINC000019967510 182171477 /nfs/dbraw/zinc/17/14/77/182171477.db2.gz JTUQYKWIKYAMMN-OAHLLOKOSA-N 1 0 306.203 3.896 10 0 DHAERO COCCc1ccc([C@@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000019970831 182171719 /nfs/dbraw/zinc/17/17/19/182171719.db2.gz PVNSLCXYOIVIQQ-MRXNPFEDSA-N 1 0 320.230 3.686 10 0 DHAERO CC(C)[C@@H]([NH3+])c1cc(Br)ccc1Br ZINC000019969165 182171758 /nfs/dbraw/zinc/17/17/58/182171758.db2.gz LTJILIIZDPYDTH-SNVBAGLBSA-N 1 0 307.029 3.867 10 0 DHAERO COCCc1ccc([C@H]([NH3+])c2ccccc2Br)cc1 ZINC000019970818 182171794 /nfs/dbraw/zinc/17/17/94/182171794.db2.gz BYYCIUSUVCYXAC-INIZCTEOSA-N 1 0 320.230 3.686 10 0 DHAERO Cc1cc(Br)cc(C)c1NC(=O)CCCCC[NH3+] ZINC000020032992 182182305 /nfs/dbraw/zinc/18/23/05/182182305.db2.gz FJDRTYIZGONHKG-UHFFFAOYSA-N 1 0 313.239 3.524 10 0 DHAERO CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(Br)c1)N(C)C ZINC000020145586 182192437 /nfs/dbraw/zinc/19/24/37/182192437.db2.gz HXXPBOJALIHZOZ-WFASDCNBSA-N 1 0 313.283 3.686 10 0 DHAERO CC(C)[C@H](CN[C@H](C)c1ccccc1Br)[NH+](C)C ZINC000020145654 182192445 /nfs/dbraw/zinc/19/24/45/182192445.db2.gz GIOTWZRMDHGGQK-DOMZBBRYSA-N 1 0 313.283 3.686 10 0 DHAERO Cc1ccccc1CN(C)[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000020226271 182198843 /nfs/dbraw/zinc/19/88/43/182198843.db2.gz GJZRAVUHNHFZJZ-MRXNPFEDSA-N 1 0 306.812 3.919 10 0 DHAERO COc1ccc([C@H]2[NH2+]Cc3c(C)cc(C)nc3-n3cccc32)cc1 ZINC000020865083 182250303 /nfs/dbraw/zinc/25/03/03/182250303.db2.gz NQSUPTWPQPWWGC-LJQANCHMSA-N 1 0 319.408 3.690 10 0 DHAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C[C@H](C)O)cc1 ZINC000020875116 182251707 /nfs/dbraw/zinc/25/17/07/182251707.db2.gz QJTPWSSGWVTPHK-AWEZNQCLSA-N 1 0 319.832 3.698 10 0 DHAERO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020967777 182256706 /nfs/dbraw/zinc/25/67/06/182256706.db2.gz GWGXUNQMBHFOIL-LBPRGKRZSA-N 1 0 317.260 3.576 10 0 DHAERO COc1ccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1OC ZINC000021782192 182288236 /nfs/dbraw/zinc/28/82/36/182288236.db2.gz SKBWQOIQDNDNHS-HXUWFJFHSA-N 1 0 320.392 3.687 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)CC1CCCC1 ZINC000022931679 182342776 /nfs/dbraw/zinc/34/27/76/182342776.db2.gz FSETWHNDOFCWNN-IBGZPJMESA-N 1 0 301.478 3.558 10 0 DHAERO Brc1cccc(C2CC([NH2+]Cc3ccncc3)C2)c1 ZINC000036843846 182848054 /nfs/dbraw/zinc/84/80/54/182848054.db2.gz HLJFQDRKEKFJET-UHFFFAOYSA-N 1 0 317.230 3.880 10 0 DHAERO CCOc1cc(CC[NH3+])cc(Br)c1O[C@H](C)CC ZINC000037719870 182920178 /nfs/dbraw/zinc/92/01/78/182920178.db2.gz ZWYLPQDQCMHHBX-SNVBAGLBSA-N 1 0 316.239 3.526 10 0 DHAERO CC(C)[NH2+]CCOc1ccc2ccccc2c1Br ZINC000038077756 182986209 /nfs/dbraw/zinc/98/62/09/182986209.db2.gz PTFPHXVQCNZNDE-UHFFFAOYSA-N 1 0 308.219 3.979 10 0 DHAERO C#[N+][C@@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000038534295 183001556 /nfs/dbraw/zinc/00/15/56/183001556.db2.gz DLZFUCIDFRZMOK-OAHLLOKOSA-N 1 0 308.329 3.708 10 0 DHAERO Brc1ccc(-c2nc(C[NH2+]C3CC3)cs2)cc1 ZINC000040420291 183064219 /nfs/dbraw/zinc/06/42/19/183064219.db2.gz HPDNEWBJAVPAKS-UHFFFAOYSA-N 1 0 309.232 3.825 10 0 DHAERO CC(C)c1ccc(Oc2nc[nH+]c(NNC(C)(C)C)c2N)cc1 ZINC000040727505 183125544 /nfs/dbraw/zinc/12/55/44/183125544.db2.gz URGPCHUBQWBGLW-UHFFFAOYSA-N 1 0 315.421 3.690 10 0 DHAERO CC1CC[NH+](CC[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000041145225 183175925 /nfs/dbraw/zinc/17/59/25/183175925.db2.gz ZYLVSHCZKHENSV-OAHLLOKOSA-N 1 0 312.251 3.605 10 0 DHAERO C[C@@H]1CCC[N@H+](CC[C@H](O)c2ccc(Br)cc2)C1 ZINC000041145226 183176086 /nfs/dbraw/zinc/17/60/86/183176086.db2.gz ZZYHSYLTVRWVEJ-DOMZBBRYSA-N 1 0 312.251 3.605 10 0 DHAERO [NH3+]C[C@H](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000041528869 183198025 /nfs/dbraw/zinc/19/80/25/183198025.db2.gz DOHHVJUDKPXMQP-OAHLLOKOSA-N 1 0 304.231 3.809 10 0 DHAERO COc1ccc(Cl)cc1C[C@@H](C[NH3+])Cc1ccc(F)cc1 ZINC000041540974 183200545 /nfs/dbraw/zinc/20/05/45/183200545.db2.gz LEYRZTHQYOTLSY-ZDUSSCGKSA-N 1 0 307.796 3.848 10 0 DHAERO CN(Cc1cc(Br)cs1)C1(C[NH3+])CCCCC1 ZINC000042398623 183264530 /nfs/dbraw/zinc/26/45/30/183264530.db2.gz IAMSRMGKIVUKQK-UHFFFAOYSA-N 1 0 317.296 3.604 10 0 DHAERO CC(C)CN([C@@H](C[NH3+])c1cc(Br)cs1)C1CC1 ZINC000042555362 183283954 /nfs/dbraw/zinc/28/39/54/183283954.db2.gz CEGUHNXECLOEON-LBPRGKRZSA-N 1 0 317.296 3.631 10 0 DHAERO CC(C)C[N@H+]([C@@H](CN)c1cccc(Br)c1)C1CC1 ZINC000042555132 183284052 /nfs/dbraw/zinc/28/40/52/183284052.db2.gz CFQJLJWBGZTIBV-HNNXBMFYSA-N 1 0 311.267 3.569 10 0 DHAERO CN(Cc1cscn1)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000042863804 183315059 /nfs/dbraw/zinc/31/50/59/183315059.db2.gz CMBDJXYNWRIMRC-ZDUSSCGKSA-N 1 0 316.257 3.582 10 0 DHAERO Cc1ccc(O[C@@H](C[NH3+])c2ccc(F)cc2)c(Br)c1 ZINC000042916753 183318591 /nfs/dbraw/zinc/31/85/91/183318591.db2.gz JFBNBUMJEYFCJS-HNNXBMFYSA-N 1 0 324.193 3.975 10 0 DHAERO CCCCN(C)[C@@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042952507 183320843 /nfs/dbraw/zinc/32/08/43/183320843.db2.gz GQAZOVIRSJOFHQ-CABCVRRESA-N 1 0 313.283 3.959 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)CC1CC1 ZINC000042954048 183321285 /nfs/dbraw/zinc/32/12/85/183321285.db2.gz DAQKWBGQDUDPAR-GJZGRUSLSA-N 1 0 311.267 3.569 10 0 DHAERO CC[C@H](N)[C@@H](c1ccc(Br)cc1)[N@H+](CC)C(C)C ZINC000042952812 183321816 /nfs/dbraw/zinc/32/18/16/183321816.db2.gz PKPDXXYATVWTEE-LSDHHAIUSA-N 1 0 313.283 3.958 10 0 DHAERO C[C@@H](N)[C@@H](c1ccc(Br)cc1)[N@H+](C)C1CCCC1 ZINC000042952835 183321873 /nfs/dbraw/zinc/32/18/73/183321873.db2.gz SFPGQYXLNNGVGD-ABAIWWIYSA-N 1 0 311.267 3.712 10 0 DHAERO CC(C)CCN(C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954348 183322320 /nfs/dbraw/zinc/32/23/20/183322320.db2.gz HJPQRQLGEPHQPZ-DOMZBBRYSA-N 1 0 313.283 3.815 10 0 DHAERO C[C@@H](N)[C@H](c1ccc(Br)cc1)[N@H+](C)[C@@H](C)C1CC1 ZINC000042953324 183322382 /nfs/dbraw/zinc/32/23/82/183322382.db2.gz ZMDBRBHTDNBFOM-JRPNMDOOSA-N 1 0 311.267 3.568 10 0 DHAERO CC[C@H]([NH3+])[C@@H](OCC(C)C)c1ccc(Br)cc1 ZINC000042957232 183322911 /nfs/dbraw/zinc/32/29/11/183322911.db2.gz JEQIQLMEIGFISJ-KBPBESRZSA-N 1 0 300.240 3.900 10 0 DHAERO CC(C)c1nccn1[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042955990 183322934 /nfs/dbraw/zinc/32/29/34/183322934.db2.gz UXPSGOUBYKCJQR-SMDDNHRTSA-N 1 0 322.250 3.706 10 0 DHAERO CC[C@@H](N)[C@@H](c1cccc(Br)c1)[N@H+](C)CC(C)C ZINC000043020378 183328767 /nfs/dbraw/zinc/32/87/67/183328767.db2.gz MPOBURSQCXAMBL-HUUCEWRRSA-N 1 0 313.283 3.815 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCCCCC1 ZINC000043019860 183328827 /nfs/dbraw/zinc/32/88/27/183328827.db2.gz LOJZGANNOJOBFU-WFASDCNBSA-N 1 0 311.267 3.713 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)n1nc(C)cc1C ZINC000043022082 183329433 /nfs/dbraw/zinc/32/94/33/183329433.db2.gz LXDQPKBILFMVOO-HUUCEWRRSA-N 1 0 322.250 3.589 10 0 DHAERO CCc1nccn1[C@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043022272 183329583 /nfs/dbraw/zinc/32/95/83/183329583.db2.gz PEZRNONFRUVMAE-UKRRQHHQSA-N 1 0 322.250 3.535 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CC1CC1 ZINC000043021050 183329615 /nfs/dbraw/zinc/32/96/15/183329615.db2.gz GDRNMRKDUUXWMP-GJZGRUSLSA-N 1 0 311.267 3.569 10 0 DHAERO CC(C)c1nccn1[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043022135 183330026 /nfs/dbraw/zinc/33/00/26/183330026.db2.gz ZTPULVKIBRDLHO-BXUZGUMPSA-N 1 0 322.250 3.706 10 0 DHAERO COc1cccc([C@@H](C[NH3+])Oc2ccc(Br)cc2)c1 ZINC000043029366 183331507 /nfs/dbraw/zinc/33/15/07/183331507.db2.gz ONMIRVPXUAQAAS-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)n1nc(C)cc1C ZINC000043093711 183337015 /nfs/dbraw/zinc/33/70/15/183337015.db2.gz ATIBDAZDQMLOEG-CABCVRRESA-N 1 0 322.250 3.589 10 0 DHAERO COc1ccccc1[C@H](C[NH3+])Oc1ccccc1Br ZINC000043099679 183338012 /nfs/dbraw/zinc/33/80/12/183338012.db2.gz OOMFIYUEPBXABM-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO C[C@H]([NH3+])[C@H](c1cccs1)N(C)Cc1ccc(Cl)s1 ZINC000043105590 183338231 /nfs/dbraw/zinc/33/82/31/183338231.db2.gz LJTLNDQQMGGXEX-TVQRCGJNSA-N 1 0 300.880 3.983 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1ccc(Cl)s1 ZINC000043105586 183338352 /nfs/dbraw/zinc/33/83/52/183338352.db2.gz LJTLNDQQMGGXEX-ZANVPECISA-N 1 0 300.880 3.983 10 0 DHAERO CC(C)[C@H](C)N(C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091736 183335637 /nfs/dbraw/zinc/33/56/37/183335637.db2.gz DWQPDTDJLOSKEZ-TYNCELHUSA-N 1 0 313.283 3.814 10 0 DHAERO CCC(CC)N(C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091750 183335823 /nfs/dbraw/zinc/33/58/23/183335823.db2.gz XRGMCVCEDLUMHW-IAQYHMDHSA-N 1 0 313.283 3.958 10 0 DHAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N1CCCCCC1 ZINC000043090477 183335843 /nfs/dbraw/zinc/33/58/43/183335843.db2.gz BSDPHXQRYOIWOU-SWLSCSKDSA-N 1 0 311.267 3.713 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N1CCC[C@@H](C)C1 ZINC000043090454 183335943 /nfs/dbraw/zinc/33/59/43/183335943.db2.gz RLCVGODYMMEFTL-LALPHHSUSA-N 1 0 311.267 3.569 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CC[C@H](C)C1 ZINC000043092482 183336040 /nfs/dbraw/zinc/33/60/40/183336040.db2.gz HJUYUVIZFXZLEA-TUKIKUTGSA-N 1 0 311.267 3.569 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cccc(OC(F)F)c3)C2)c1 ZINC000106220304 194190590 /nfs/dbraw/zinc/19/05/90/194190590.db2.gz RHUHZDRQMDPFSO-OAHLLOKOSA-N 1 0 321.371 3.630 10 0 DHAERO C[NH2+][C@@H]1CCCC[C@@H]1CCOc1cccc(Br)c1 ZINC000049597135 183745531 /nfs/dbraw/zinc/74/55/31/183745531.db2.gz TVBMWOMHIDTYSG-IUODEOHRSA-N 1 0 312.251 3.996 10 0 DHAERO C[NH2+][C@H](CCc1ccc(OC)c(Br)c1)C(C)C ZINC000049596905 183745560 /nfs/dbraw/zinc/74/55/60/183745560.db2.gz MZAXVEIAWVKNNB-CYBMUJFWSA-N 1 0 300.240 3.634 10 0 DHAERO CCC[NH2+]C[C@@H]1CCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000053648685 183908951 /nfs/dbraw/zinc/90/89/51/183908951.db2.gz JEPSXFJNAQNPMV-ZDUSSCGKSA-N 1 0 301.261 3.957 10 0 DHAERO [NH3+]C[C@H](Nc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000057653631 184043933 /nfs/dbraw/zinc/04/39/33/184043933.db2.gz WCERSZBURMYFKX-AWEZNQCLSA-N 1 0 309.182 3.700 10 0 DHAERO [NH3+]C[C@H](Nc1ccc(Br)cc1)c1ccccc1F ZINC000057653629 184044011 /nfs/dbraw/zinc/04/40/11/184044011.db2.gz VUPLSCMKSFXIIT-AWEZNQCLSA-N 1 0 309.182 3.700 10 0 DHAERO [NH3+]C[C@@H](Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC000057653645 184044108 /nfs/dbraw/zinc/04/41/08/184044108.db2.gz JYXKUPOMUXHNHZ-CQSZACIVSA-N 1 0 309.182 3.700 10 0 DHAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1cccc(Cl)c1 ZINC000057382173 184037016 /nfs/dbraw/zinc/03/70/16/184037016.db2.gz MPCPBUXFANPQSG-NSHDSACASA-N 1 0 306.768 3.768 10 0 DHAERO Oc1ccc(C[NH2+]Cc2ccccc2F)cc1Br ZINC000057943030 184063144 /nfs/dbraw/zinc/06/31/44/184063144.db2.gz VCFFRNQBGHPTNU-UHFFFAOYSA-N 1 0 310.166 3.584 10 0 DHAERO CC[NH2+][C@H](C)c1ccc(SCCOC)c(Br)c1 ZINC000061700196 184183714 /nfs/dbraw/zinc/18/37/14/184183714.db2.gz HHCLUIAHFLWOSC-SNVBAGLBSA-N 1 0 318.280 3.858 10 0 DHAERO CC[NH2+][C@@H](C)c1ccc(SCCOC)c(Br)c1 ZINC000061700195 184183877 /nfs/dbraw/zinc/18/38/77/184183877.db2.gz HHCLUIAHFLWOSC-JTQLQIEISA-N 1 0 318.280 3.858 10 0 DHAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274920176 130273622 /nfs/dbraw/zinc/27/36/22/130273622.db2.gz OYTKNZITOYSGNH-KGLIPLIRSA-N 1 0 304.821 3.991 10 0 DHAERO C[C@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1cnn(C)c1 ZINC000163941174 132127251 /nfs/dbraw/zinc/12/72/51/132127251.db2.gz DGCUTMKNMFUQBG-YOEHRIQHSA-N 1 0 311.429 3.907 10 0 DHAERO [NH3+][C@@H]1CCC[C@@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)C1 ZINC000262011062 331786618 /nfs/dbraw/zinc/78/66/18/331786618.db2.gz WLRHXLYNWSVTKV-JWINVHKUSA-N 1 0 301.434 3.522 10 0 DHAERO CCC[NH+]1CCC(N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000128947780 332015859 /nfs/dbraw/zinc/01/58/59/332015859.db2.gz NWNGWAAVZBXKOV-QGZVFWFLSA-N 1 0 302.462 3.753 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)[C@@H]1CCCO1 ZINC000152943754 332028481 /nfs/dbraw/zinc/02/84/81/332028481.db2.gz FFJXDHXHWBISDU-VQISRLSMSA-N 1 0 315.335 3.730 10 0 DHAERO c1ccc(-c2cccc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)c2)nc1 ZINC000091979151 332098787 /nfs/dbraw/zinc/09/87/87/332098787.db2.gz QGMVBKDPWOJTTI-PMACEKPBSA-N 1 0 308.425 3.892 10 0 DHAERO Cc1ccc([C@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccccc2)c(C)c1 ZINC000133032930 332135502 /nfs/dbraw/zinc/13/55/02/332135502.db2.gz MTCPYPQCHSYXRP-GHTZIAJQSA-N 1 0 322.452 3.603 10 0 DHAERO C[C@H](NC(=O)[C@H]([NH3+])c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000040807446 332171948 /nfs/dbraw/zinc/17/19/48/332171948.db2.gz LOZXVHWKDIQKKE-ZUZCIYMTSA-N 1 0 323.223 3.871 10 0 DHAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H](c1ccccc1)c1ccccn1 ZINC000181002280 332172932 /nfs/dbraw/zinc/17/29/32/332172932.db2.gz KULAXVSIOUHAKM-CTNGQTDRSA-N 1 0 323.484 3.881 10 0 DHAERO C[C@H]([NH2+]CC(=O)NC1CCCCCC1)c1ccc(Cl)s1 ZINC000053341238 332233486 /nfs/dbraw/zinc/23/34/86/332233486.db2.gz HMMCLYMXYDPHIF-NSHDSACASA-N 1 0 314.882 3.891 10 0 DHAERO C[C@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)c1ccc(Cl)s1 ZINC000261787230 332320115 /nfs/dbraw/zinc/32/01/15/332320115.db2.gz QBSPWFMJRWBUPF-CMPLNLGQSA-N 1 0 314.882 3.876 10 0 DHAERO CC(C)c1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2s1 ZINC000153446087 332383486 /nfs/dbraw/zinc/38/34/86/332383486.db2.gz GCWQZTKDFUQODK-NEPJUHHUSA-N 1 0 317.458 3.876 10 0 DHAERO CC(C)Cc1ccc([C@@H](C)NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000261850562 332553144 /nfs/dbraw/zinc/55/31/44/332553144.db2.gz ZXKHSNLFNDWLRA-MRXNPFEDSA-N 1 0 316.489 3.842 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCC2(F)CCC2)C1 ZINC000497313576 333234465 /nfs/dbraw/zinc/23/44/65/333234465.db2.gz LFPGYOKTDNYHJA-CQSZACIVSA-N 1 0 314.445 3.505 10 0 DHAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)COCc1ccccc1)CC2 ZINC000390580228 333303619 /nfs/dbraw/zinc/30/36/19/333303619.db2.gz IKMVXLBYYHPQLN-MGPUTAFESA-N 1 0 311.425 3.877 10 0 DHAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000120795246 333307681 /nfs/dbraw/zinc/30/76/81/333307681.db2.gz CQTNBGUDFRCDDY-WWGRRREGSA-N 1 0 313.388 3.766 10 0 DHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000390662867 333312440 /nfs/dbraw/zinc/31/24/40/333312440.db2.gz SRPMXQFEPQCUSI-TVYUQYBPSA-N 1 0 300.265 3.994 10 0 DHAERO C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000261930916 333383496 /nfs/dbraw/zinc/38/34/96/333383496.db2.gz BIAOQRRFSQJSDO-OLUVUFQESA-N 1 0 315.244 3.688 10 0 DHAERO C[C@@H]([NH3+])[C@@H]1CCCCN1CCOc1ccc(Cl)cc1Cl ZINC000063195707 333446572 /nfs/dbraw/zinc/44/65/72/333446572.db2.gz NVGCNOJSNXYQFH-RISCZKNCSA-N 1 0 317.260 3.574 10 0 DHAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049129479 334315027 /nfs/dbraw/zinc/31/50/27/334315027.db2.gz BTQWUGSQXLARLI-ZJUUUORDSA-N 1 0 302.871 3.745 10 0 DHAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(-c2cccs2)n1 ZINC000113269005 335304080 /nfs/dbraw/zinc/30/40/80/335304080.db2.gz OUSXCFPSOKDFAM-TZMCWYRMSA-N 1 0 319.499 3.540 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@H+](CCSCc3ccccc3)C2)c1 ZINC000192577838 336159413 /nfs/dbraw/zinc/15/94/13/336159413.db2.gz XOXLLXNOKGDUKL-GOSISDBHSA-N 1 0 315.486 3.762 10 0 DHAERO Cc1oc2ccc(NC(=O)N[C@@H]3CC[C@H]([NH+](C)C)C3)cc2c1C ZINC000333400647 336203129 /nfs/dbraw/zinc/20/31/29/336203129.db2.gz DZHTYLHFNFDQSJ-HIFRSBDPSA-N 1 0 315.417 3.654 10 0 DHAERO CC(C)(C)[C@H](O)C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000324424922 336215989 /nfs/dbraw/zinc/21/59/89/336215989.db2.gz OKKCXDPWKIBUNG-GFCCVEGCSA-N 1 0 320.658 3.599 10 0 DHAERO CC(C)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000104972422 336273097 /nfs/dbraw/zinc/27/30/97/336273097.db2.gz QODHZUDCUKSZSX-QGZVFWFLSA-N 1 0 301.434 3.512 10 0 DHAERO CCc1cc(NCCC(=O)NC2CCCC2)c2ccccc2[nH+]1 ZINC000301785450 336329658 /nfs/dbraw/zinc/32/96/58/336329658.db2.gz KXRCMPBYILNMAP-UHFFFAOYSA-N 1 0 311.429 3.658 10 0 DHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000122819219 337026706 /nfs/dbraw/zinc/02/67/06/337026706.db2.gz XGYWNVFCGYOSFA-SFHVURJKSA-N 1 0 308.429 3.855 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C)C1 ZINC000122904210 337030171 /nfs/dbraw/zinc/03/01/71/337030171.db2.gz CUDZIKLHBLFECG-QGZVFWFLSA-N 1 0 301.409 3.730 10 0 DHAERO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 ZINC000123413595 337048098 /nfs/dbraw/zinc/04/80/98/337048098.db2.gz SZJGSNSGBURNIU-JKSUJKDBSA-N 1 0 322.518 3.558 10 0 DHAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C)c3ccc(F)cc3)C2)n1 ZINC000171506909 337087599 /nfs/dbraw/zinc/08/75/99/337087599.db2.gz VTOTVOQMLSDJST-XJKSGUPXSA-N 1 0 316.424 3.507 10 0 DHAERO CCO[C@H]1C[C@H]([N@H+](C)CCc2scnc2C)C12CCCC2 ZINC000172670651 337129343 /nfs/dbraw/zinc/12/93/43/337129343.db2.gz JLOACUFFHAUYAP-HOTGVXAUSA-N 1 0 308.491 3.664 10 0 DHAERO Cc1csc([C@H]2CCC[N@H+](CCc3scnc3C)C2)n1 ZINC000172531749 337129985 /nfs/dbraw/zinc/12/99/85/337129985.db2.gz DEHHJIUIJGYVKM-ZDUSSCGKSA-N 1 0 307.488 3.639 10 0 DHAERO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174534624 337142492 /nfs/dbraw/zinc/14/24/92/337142492.db2.gz QTWPSEXSWLAFFK-NZSAHSFTSA-N 1 0 318.505 3.537 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000176985620 337154035 /nfs/dbraw/zinc/15/40/35/337154035.db2.gz NCSHOFANTVBVRF-CQSZACIVSA-N 1 0 320.820 3.643 10 0 DHAERO CCC[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000177336632 337157027 /nfs/dbraw/zinc/15/70/27/337157027.db2.gz MLDQRNXJLVZUGC-MSOLQXFVSA-N 1 0 317.477 3.654 10 0 DHAERO C[C@@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)O1 ZINC000178173889 337161162 /nfs/dbraw/zinc/16/11/62/337161162.db2.gz IMUBVVBSDHJPQF-CRAIPNDOSA-N 1 0 316.445 3.569 10 0 DHAERO Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)c1 ZINC000178320161 337163892 /nfs/dbraw/zinc/16/38/92/337163892.db2.gz ZSSVZSOQXSDWAM-GJZGRUSLSA-N 1 0 310.397 3.853 10 0 DHAERO Cc1csc([C@H]2CCC[N@@H+](Cc3cnn(C(C)C)c3)C2)n1 ZINC000179826844 337171990 /nfs/dbraw/zinc/17/19/90/337171990.db2.gz UOTIRQUIODHRSG-HNNXBMFYSA-N 1 0 304.463 3.609 10 0 DHAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1ccc(Cl)s1)CC2 ZINC000180617271 337176597 /nfs/dbraw/zinc/17/65/97/337176597.db2.gz ZYSJVYIWXQSVLN-WDEREUQCSA-N 1 0 324.881 3.611 10 0 DHAERO C[C@@H](N[C@H](C)c1cccc(Cl)c1F)c1nnc2n1CCCC2 ZINC000184660866 337199759 /nfs/dbraw/zinc/19/97/59/337199759.db2.gz VNWNFSXODNFWMO-GHMZBOCLSA-N 1 0 322.815 3.819 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1c(C)cccc1SC ZINC000184954916 337201990 /nfs/dbraw/zinc/20/19/90/337201990.db2.gz IUBDZFHBBPHQHN-CQSZACIVSA-N 1 0 321.490 3.665 10 0 DHAERO FC(F)(F)C1CCC(C[NH+]2CCC(c3cc[nH]n3)CC2)CC1 ZINC000185507347 337248679 /nfs/dbraw/zinc/24/86/79/337248679.db2.gz DBEVLZWBCTXKPS-UHFFFAOYSA-N 1 0 315.383 3.958 10 0 DHAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(SCC)c2)C1 ZINC000186202484 337254707 /nfs/dbraw/zinc/25/47/07/337254707.db2.gz ODXXEAMJXMGLMP-MRXNPFEDSA-N 1 0 320.502 3.679 10 0 DHAERO CCO[C@H]1C[C@H]([NH2+]CC(C)(C)c2cccs2)C12CCOCC2 ZINC000186338459 337256688 /nfs/dbraw/zinc/25/66/88/337256688.db2.gz RMEUGQDVJVEQNH-GJZGRUSLSA-N 1 0 323.502 3.590 10 0 DHAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000186790298 337259566 /nfs/dbraw/zinc/25/95/66/337259566.db2.gz GPSFKUSJXAZDTB-IXDOHACOSA-N 1 0 301.430 3.716 10 0 DHAERO Cc1csc([C@H]2CCC[N@H+](Cc3ccc(C)nc3C)C2)n1 ZINC000186909551 337260337 /nfs/dbraw/zinc/26/03/37/337260337.db2.gz XAVRIZYHWLYYGI-INIZCTEOSA-N 1 0 301.459 3.843 10 0 DHAERO C[C@H]([NH2+]CCCc1nc2ccccc2n1C)C1CCSCC1 ZINC000187348632 337264238 /nfs/dbraw/zinc/26/42/38/337264238.db2.gz WZNNYIKUQOAWAP-AWEZNQCLSA-N 1 0 317.502 3.627 10 0 DHAERO CC(C)c1csc([C@@H]2CCC[N@H+](CCOCC(F)F)C2)n1 ZINC000189411021 337279783 /nfs/dbraw/zinc/27/97/83/337279783.db2.gz YPRLVDYFIKWRIN-GFCCVEGCSA-N 1 0 318.433 3.728 10 0 DHAERO FC(F)C1(c2ccc(Br)cc2C[NH2+]C2CC2)CC1 ZINC000584595344 337373986 /nfs/dbraw/zinc/37/39/86/337373986.db2.gz DVVFXNKHOHFNNY-UHFFFAOYSA-N 1 0 316.189 3.998 10 0 DHAERO CCC(=O)Nc1ccc(NCC[NH+](CC)CC)c2ccccc12 ZINC000584650149 337380617 /nfs/dbraw/zinc/38/06/17/337380617.db2.gz HNGMQXDOGGJIPH-UHFFFAOYSA-N 1 0 313.445 3.942 10 0 DHAERO CC(C)C[C@@]1(c2cccc(O[C@H]3CCCCO3)c2)CC[NH2+]C1 ZINC000584650211 337380741 /nfs/dbraw/zinc/38/07/41/337380741.db2.gz PATGUNQKDRTKCQ-OALUTQOASA-N 1 0 303.446 3.869 10 0 DHAERO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2)on1 ZINC000123618827 337400212 /nfs/dbraw/zinc/40/02/12/337400212.db2.gz OYXXLJSBRNEKHM-KGLIPLIRSA-N 1 0 323.396 3.814 10 0 DHAERO C[C@@H]([NH2+][C@H](C)c1cnccn1)c1cccc(Br)c1 ZINC000070478023 337546478 /nfs/dbraw/zinc/54/64/78/337546478.db2.gz AEUYRRLDXQYZGX-GHMZBOCLSA-N 1 0 306.207 3.651 10 0 DHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)c2ccccc21 ZINC000246485862 337551943 /nfs/dbraw/zinc/55/19/43/337551943.db2.gz RPQYBAGQCXGUKN-GJYPPUQNSA-N 1 0 322.456 3.674 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccccc1OC(F)F ZINC000247992229 337562057 /nfs/dbraw/zinc/56/20/57/337562057.db2.gz JNROPIPPERYJAG-AEGPPILISA-N 1 0 313.388 3.880 10 0 DHAERO CC(C)c1ccc([C@@H](C)CC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261785008 337610422 /nfs/dbraw/zinc/61/04/22/337610422.db2.gz HTRDOABVNYEEQP-YJBOKZPZSA-N 1 0 316.489 3.889 10 0 DHAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000261786266 337610447 /nfs/dbraw/zinc/61/04/47/337610447.db2.gz TVXGSEROCGBRFS-HZPDHXFCSA-N 1 0 316.420 3.626 10 0 DHAERO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000261791297 337610555 /nfs/dbraw/zinc/61/05/55/337610555.db2.gz LXSYXWGANRPQED-BGRCLHOASA-N 1 0 322.452 3.529 10 0 DHAERO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261879009 337612037 /nfs/dbraw/zinc/61/20/37/337612037.db2.gz SPGHENMWSOZMFA-KDOFPFPSSA-N 1 0 322.880 3.885 10 0 DHAERO C[C@@H](C(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000262500647 337618670 /nfs/dbraw/zinc/61/86/70/337618670.db2.gz IRZGGASZNPRFBC-WBMJQRKESA-N 1 0 322.880 3.789 10 0 DHAERO CCCN(C(=O)[C@H](C)C1C[NH2+]C1)[C@H](C)c1cc2ccccc2o1 ZINC000262528401 337618891 /nfs/dbraw/zinc/61/88/91/337618891.db2.gz LRJYQISTYDVVTL-ZIAGYGMSSA-N 1 0 314.429 3.588 10 0 DHAERO Cc1cccc(C)c1Oc1ccccc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262548875 337619166 /nfs/dbraw/zinc/61/91/66/337619166.db2.gz OLFHQHWBSFMMHL-HNNXBMFYSA-N 1 0 324.424 3.890 10 0 DHAERO CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000119803773 337865975 /nfs/dbraw/zinc/86/59/75/337865975.db2.gz JEKDSYSBKRXVAJ-ZWKOTPCHSA-N 1 0 306.494 3.584 10 0 DHAERO Cc1ncc([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)s1 ZINC000090419244 337880937 /nfs/dbraw/zinc/88/09/37/337880937.db2.gz ASPZDJAUDMLCNV-LLVKDONJSA-N 1 0 307.488 3.833 10 0 DHAERO COC[C@@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)C1CC1 ZINC000090460987 337881312 /nfs/dbraw/zinc/88/13/12/337881312.db2.gz XBOBRJQYOQJVCR-DLBZAZTESA-N 1 0 301.430 3.838 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1cccc(-n2ccnc2)c1 ZINC000194904722 338776363 /nfs/dbraw/zinc/77/63/63/338776363.db2.gz XKTDWBWULSZPOK-CABCVRRESA-N 1 0 307.397 3.990 10 0 DHAERO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400445088 340146590 /nfs/dbraw/zinc/14/65/90/340146590.db2.gz NMIKKSAYGLMFTH-GRYCIOLGSA-N 1 0 324.387 3.562 10 0 DHAERO C[C@@H]([NH2+]CCc1cncn1C)c1c(Cl)ccc(F)c1Cl ZINC000401763405 340182755 /nfs/dbraw/zinc/18/27/55/340182755.db2.gz DOJXWBMHWDARSA-SECBINFHSA-N 1 0 316.207 3.759 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000300414117 340225407 /nfs/dbraw/zinc/22/54/07/340225407.db2.gz HIEWWWXOAWMMDU-LRDDRELGSA-N 1 0 323.278 3.510 10 0 DHAERO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)CC1 ZINC000303081138 340300968 /nfs/dbraw/zinc/30/09/68/340300968.db2.gz ARLVUZYVGPCCQI-MOPGFXCFSA-N 1 0 319.489 3.712 10 0 DHAERO Clc1cc2cccnc2c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000172802253 340342507 /nfs/dbraw/zinc/34/25/07/340342507.db2.gz SVMLMLPOKGQZDX-QGZVFWFLSA-N 1 0 315.848 3.558 10 0 DHAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000227887537 340604267 /nfs/dbraw/zinc/60/42/67/340604267.db2.gz JVNLVPAVYYPDDJ-WCQYABFASA-N 1 0 320.260 3.822 10 0 DHAERO O[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000250214501 340612623 /nfs/dbraw/zinc/61/26/23/340612623.db2.gz NPOHOWHPYAQPIK-VBNZEHGJSA-N 1 0 324.262 3.577 10 0 DHAERO CC(C)c1ccc([C@H](C)NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1 ZINC000236748892 340664637 /nfs/dbraw/zinc/66/46/37/340664637.db2.gz CYFYFUGDSFCVKP-YWZLYKJASA-N 1 0 310.441 3.861 10 0 DHAERO C[NH2+]Cc1ccccc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000070579439 341001363 /nfs/dbraw/zinc/00/13/63/341001363.db2.gz CFNVVGQJUFCSFX-UHFFFAOYSA-N 1 0 323.223 3.894 10 0 DHAERO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000130588572 341029528 /nfs/dbraw/zinc/02/95/28/341029528.db2.gz AGRWZHGUTQBOJP-IBGZPJMESA-N 1 0 321.424 3.915 10 0 DHAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000079495459 341260060 /nfs/dbraw/zinc/26/00/60/341260060.db2.gz NVXQICAPGDWACW-RHSMWYFYSA-N 1 0 323.456 3.504 10 0 DHAERO CC(C)C[C@H](CO)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137076947 341271821 /nfs/dbraw/zinc/27/18/21/341271821.db2.gz AUBJPQKDNANPEH-LLVKDONJSA-N 1 0 320.658 3.599 10 0 DHAERO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137076919 341271934 /nfs/dbraw/zinc/27/19/34/341271934.db2.gz AUBJPQKDNANPEH-NSHDSACASA-N 1 0 320.658 3.599 10 0 DHAERO c1ccc(-c2cccc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)c2)nc1 ZINC000245542876 341300913 /nfs/dbraw/zinc/30/09/13/341300913.db2.gz QGMVBKDPWOJTTI-WOJBJXKFSA-N 1 0 308.425 3.892 10 0 DHAERO CC[N@@H+]1CC[C@@H](Nc2cccc(-n3nc(C)cc3C)c2)[C@@H](C)C1 ZINC000245555382 341301710 /nfs/dbraw/zinc/30/17/10/341301710.db2.gz CDYKKBVNTBIFDJ-IFXJQAMLSA-N 1 0 312.461 3.631 10 0 DHAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C)c1Cl ZINC000246126527 341327979 /nfs/dbraw/zinc/32/79/79/341327979.db2.gz PUSRHYFTKGTFPO-KBPBESRZSA-N 1 0 321.852 3.739 10 0 DHAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1OC(F)(F)F ZINC000247175230 341361885 /nfs/dbraw/zinc/36/18/85/341361885.db2.gz UWCQOZLEXBVLCA-GMXVVIOVSA-N 1 0 303.324 3.803 10 0 DHAERO Cc1nc(C[C@H]2CCC[N@@H+](C[C@H](C)Cc3ccccc3)C2)no1 ZINC000248559347 341380006 /nfs/dbraw/zinc/38/00/06/341380006.db2.gz JCAAFYDTRPUSID-CRAIPNDOSA-N 1 0 313.445 3.511 10 0 DHAERO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000248656023 341383042 /nfs/dbraw/zinc/38/30/42/341383042.db2.gz QYUVLFXJEGIXIZ-ICSRJNTNSA-N 1 0 323.484 3.905 10 0 DHAERO CC[C@@H]1C[N@H+](CC[C@@H](C)CCC=C(C)C)CCN1C[C@H](C)O ZINC000248665011 341383683 /nfs/dbraw/zinc/38/36/83/341383683.db2.gz KZYWFUGPMTUKRJ-GBESFXJTSA-N 1 0 310.526 3.536 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)Cc2ccccc2)C12CCOCC2 ZINC000248998996 341391683 /nfs/dbraw/zinc/39/16/83/341391683.db2.gz MPOFLHQRMFMLPC-IPMKNSEASA-N 1 0 317.473 3.572 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@@H+](C[C@H]3C(C)=CCC[C@@H]3C)C2)no1 ZINC000249098879 341393817 /nfs/dbraw/zinc/39/38/17/341393817.db2.gz PASHNUDHHNFUIK-XIRDDKMYSA-N 1 0 303.450 3.625 10 0 DHAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000249788570 341401138 /nfs/dbraw/zinc/40/11/38/341401138.db2.gz SUKBNVFPBHOCDX-HBNTYKKESA-N 1 0 302.871 3.745 10 0 DHAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000261966645 341510469 /nfs/dbraw/zinc/51/04/69/341510469.db2.gz LQKBINSWBVLKEZ-RDTXWAMCSA-N 1 0 310.397 3.792 10 0 DHAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000262414095 341522164 /nfs/dbraw/zinc/52/21/64/341522164.db2.gz DKHJTUAUJJOIQD-RHSMWYFYSA-N 1 0 302.462 3.694 10 0 DHAERO [NH3+]CCC[C@H](Nc1cncc(Br)c1)c1ccccc1 ZINC000336815556 341718658 /nfs/dbraw/zinc/71/86/58/341718658.db2.gz HZTBPALQECFDED-HNNXBMFYSA-N 1 0 320.234 3.736 10 0 DHAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000246672181 519839654 /nfs/dbraw/zinc/83/96/54/519839654.db2.gz FOYGGURSTZODNA-SLFFLAALSA-N 1 0 322.452 3.730 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CC[C@H](C)c3ccccc31)CC2 ZINC000180520623 519897384 /nfs/dbraw/zinc/89/73/84/519897384.db2.gz PUZHMDNGPJQEOT-DAYGRLMNSA-N 1 0 324.472 3.945 10 0 DHAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000183134504 520416959 /nfs/dbraw/zinc/41/69/59/520416959.db2.gz GGQVTUBFXMPJBD-QGZVFWFLSA-N 1 0 306.413 3.533 10 0 DHAERO CCc1csc([C@@H]2CCC[N@H+](Cc3cnn(C(C)C)c3)C2)n1 ZINC000179841221 522114439 /nfs/dbraw/zinc/11/44/39/522114439.db2.gz YOQTXLSNYXTTPZ-OAHLLOKOSA-N 1 0 318.490 3.863 10 0 DHAERO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000246174535 522947880 /nfs/dbraw/zinc/94/78/80/522947880.db2.gz BMUKSABLKXWTSB-MKXGPGLRSA-N 1 0 314.473 3.689 10 0 DHAERO CC[C@](C)(O)C[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000123446818 523493533 /nfs/dbraw/zinc/49/35/33/523493533.db2.gz URHVWPQVUPPSDK-IBGZPJMESA-N 1 0 316.445 3.517 10 0 DHAERO CC[C@](C)(O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000161705784 523493668 /nfs/dbraw/zinc/49/36/68/523493668.db2.gz KIFSIQCGOJOPJO-KRWDZBQOSA-N 1 0 322.836 3.822 10 0 DHAERO Cc1cccc(C(C)C)c1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000164515412 524239141 /nfs/dbraw/zinc/23/91/41/524239141.db2.gz BHGSZSWVSIJIHC-RDJZCZTQSA-N 1 0 317.477 3.969 10 0 DHAERO C[C@@H](CC(=O)N[C@@H](C)c1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000147947980 524380583 /nfs/dbraw/zinc/38/05/83/524380583.db2.gz DSTHPFBHPXDMSP-YDHLFZDLSA-N 1 0 308.853 3.543 10 0 DHAERO C[C@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)CCS1 ZINC000131395036 524635436 /nfs/dbraw/zinc/63/54/36/524635436.db2.gz VXEGVBTVYWYYTB-HNNXBMFYSA-N 1 0 314.454 3.598 10 0 DHAERO Cc1ccccc1COc1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000158358775 525175074 /nfs/dbraw/zinc/17/50/74/525175074.db2.gz NCTGLGAKDQGTDY-WBVHZDCISA-N 1 0 324.424 3.640 10 0 DHAERO C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(-c2ccccc2)cc1 ZINC000181426967 525363533 /nfs/dbraw/zinc/36/35/33/525363533.db2.gz WNNPHTMGKORCRC-HNAYVOBHSA-N 1 0 309.409 3.957 10 0 DHAERO C[C@H](NCc1ccc2ccccc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102308 525453655 /nfs/dbraw/zinc/45/36/55/525453655.db2.gz AZRIEPPDEZLMEY-FUHWJXTLSA-N 1 0 323.484 3.977 10 0 DHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nnc(C(C)C)n3C1)[C@H](C)C2 ZINC000181091053 526212100 /nfs/dbraw/zinc/21/21/00/526212100.db2.gz PBEXEBPDXFVHAQ-IDHHARJASA-N 1 0 324.472 3.548 10 0 DHAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H]3CCCc4ccccc43)C2)n1 ZINC000106178189 526762716 /nfs/dbraw/zinc/76/27/16/526762716.db2.gz RVJCOPIDFJUXEJ-FXAWDEMLSA-N 1 0 324.472 3.685 10 0 DHAERO Cc1nc(C[NH2+][C@H](C)[C@H]2CCCO2)oc1-c1ccc(Cl)cc1 ZINC000183110493 526892647 /nfs/dbraw/zinc/89/26/47/526892647.db2.gz FLLFRBBIOQQPQL-IAQYHMDHSA-N 1 0 320.820 3.961 10 0 DHAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000157939962 527213505 /nfs/dbraw/zinc/21/35/05/527213505.db2.gz HNQQAUPIUPHENN-FYOYPEGLSA-N 1 0 314.473 3.594 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1nc2ccccc2o1 ZINC000181136741 527443688 /nfs/dbraw/zinc/44/36/88/527443688.db2.gz FYIFHEXDRBXUNL-ZFWWWQNUSA-N 1 0 310.401 3.558 10 0 DHAERO C[NH+](C)C[C@H](NCc1ccc(F)cc1Cl)c1ccccc1 ZINC000119949334 535955516 /nfs/dbraw/zinc/95/55/16/535955516.db2.gz UDUXJTTYOKVGRB-KRWDZBQOSA-N 1 0 306.812 3.872 10 0 DHAERO Cc1cc([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)ccc1F ZINC000675053102 563856342 /nfs/dbraw/zinc/85/63/42/563856342.db2.gz FUPPQOWSKUTMEF-ZFWWWQNUSA-N 1 0 308.397 3.533 10 0 DHAERO Cc1ccc([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c(F)c1 ZINC000675055707 563909885 /nfs/dbraw/zinc/90/98/85/563909885.db2.gz WVPOPNAQPLMZAL-DOMZBBRYSA-N 1 0 308.397 3.533 10 0 DHAERO CCOc1ccc(C[NH2+]Cc2ccco2)cc1Br ZINC000010475370 563357335 /nfs/dbraw/zinc/35/73/35/563357335.db2.gz BCTFZJCFIFHPRN-UHFFFAOYSA-N 1 0 310.191 3.731 10 0 DHAERO OCCCCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000013727198 563388290 /nfs/dbraw/zinc/38/82/90/563388290.db2.gz XBIOPUJZACZFSX-UHFFFAOYSA-N 1 0 311.784 3.991 10 0 DHAERO C[C@H]1CC(NC(=O)OC(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC000034725283 563451218 /nfs/dbraw/zinc/45/12/18/563451218.db2.gz YZUWHSJNFAERJI-GJZGRUSLSA-N 1 0 318.461 3.953 10 0 DHAERO Cc1nn(C)c(C)c1C[N@H+](Cc1ccnc2ccccc12)C(C)C ZINC000055133169 563471949 /nfs/dbraw/zinc/47/19/49/563471949.db2.gz XELJQFQBIMQJKD-UHFFFAOYSA-N 1 0 322.456 3.996 10 0 DHAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000724098173 563496367 /nfs/dbraw/zinc/49/63/67/563496367.db2.gz CTHLKEGCQWVSMN-GUYCJALGSA-N 1 0 322.474 3.556 10 0 DHAERO CC(C)(C)OC(=O)N[C@H](CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000725271314 563576833 /nfs/dbraw/zinc/57/68/33/563576833.db2.gz CAQTUQLVFRWLKH-GFCCVEGCSA-N 1 0 318.339 3.620 10 0 DHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000190436684 563809502 /nfs/dbraw/zinc/80/95/02/563809502.db2.gz PBBFZKYDZGHBJD-MHORFTMASA-N 1 0 317.477 3.682 10 0 DHAERO Cc1cc([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)ccc1F ZINC000675053099 563856603 /nfs/dbraw/zinc/85/66/03/563856603.db2.gz FUPPQOWSKUTMEF-DZGCQCFKSA-N 1 0 308.397 3.533 10 0 DHAERO Cc1ccc(C)c([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675054231 563861651 /nfs/dbraw/zinc/86/16/51/563861651.db2.gz MNYWEZGKLSXKSV-ZBFHGGJFSA-N 1 0 304.434 3.703 10 0 DHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000675054416 563861663 /nfs/dbraw/zinc/86/16/63/563861663.db2.gz NKNKBHSPJJOESC-ZIAGYGMSSA-N 1 0 310.825 3.658 10 0 DHAERO CC[NH+](CC)Cc1cc(C)c(I)cc1C ZINC000675075227 563910848 /nfs/dbraw/zinc/91/08/48/563910848.db2.gz IGEJSOVYGXCRLI-UHFFFAOYSA-N 1 0 317.214 3.750 10 0 DHAERO Brc1csc([C@H]2[NH2+]CCc3sccc32)c1 ZINC000084723249 563912506 /nfs/dbraw/zinc/91/25/06/563912506.db2.gz ZKDUKNKQPWWWMH-NSHDSACASA-N 1 0 300.246 3.807 10 0 DHAERO CCCCOc1ccccc1NC(=O)O[C@H]1C[NH+]2CCC1CC2 ZINC000048523917 563923958 /nfs/dbraw/zinc/92/39/58/563923958.db2.gz MDPLFUSLQUMWDG-KRWDZBQOSA-N 1 0 318.417 3.508 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC(C)(C)CC2)CC1 ZINC000685952393 568422174 /nfs/dbraw/zinc/42/21/74/568422174.db2.gz IZZDTOWDEVWGCR-OAHLLOKOSA-N 1 0 310.482 3.898 10 0 DHAERO CCCO[C@@H]1CCC[N@H+](Cc2c(C)nc3sc(C)cn23)CC1 ZINC000093317535 1032528439 /nfs/dbraw/zinc/52/84/39/1032528439.db2.gz XPMSDNKQMPMRCK-OAHLLOKOSA-N 1 0 321.490 3.794 10 0 DHAERO CCC[NH2+]Cc1sc(Cc2ccc(OC)cc2)nc1CC ZINC000082422761 185180288 /nfs/dbraw/zinc/18/02/88/185180288.db2.gz MEVCEYZSRRTUPQ-UHFFFAOYSA-N 1 0 304.459 3.805 10 0 DHAERO COCc1nc(-c2ccc(Cl)c(Cl)c2)sc1C[NH3+] ZINC000082446507 185183713 /nfs/dbraw/zinc/18/37/13/185183713.db2.gz MZLXCJDAZCLKIA-UHFFFAOYSA-N 1 0 303.214 3.722 10 0 DHAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000130823922 334934540 /nfs/dbraw/zinc/93/45/40/334934540.db2.gz YHFNJDCDROJCJC-RDDDGLTNSA-N 1 0 319.040 3.710 10 0 DHAERO CC[NH+](CC)CCCNc1nc2ccccc2n1CC(C)C ZINC000006869481 190625658 /nfs/dbraw/zinc/62/56/58/190625658.db2.gz VCJRVLRDENDCAZ-UHFFFAOYSA-N 1 0 302.466 3.836 10 0 DHAERO CC(C)CCOc1ccc(Br)cc1C[C@@H](C)[NH3+] ZINC000037725142 190665175 /nfs/dbraw/zinc/66/51/75/190665175.db2.gz IETHEZHPVXKJHN-LLVKDONJSA-N 1 0 300.240 3.764 10 0 DHAERO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000068593028 190776744 /nfs/dbraw/zinc/77/67/44/190776744.db2.gz WZVGIPUTVFCAAB-VYDXJSESSA-N 1 0 318.461 3.810 10 0 DHAERO CCC[NH2+]Cc1cc(OCC)c(OCC)cc1Br ZINC000070192974 190870832 /nfs/dbraw/zinc/87/08/32/190870832.db2.gz VTYRVONVFGDBIS-UHFFFAOYSA-N 1 0 316.239 3.746 10 0 DHAERO Cc1ccc(-c2nc(C(C)C)cc(N3CCC(C[NH3+])CC3)n2)cc1 ZINC000070456090 190896538 /nfs/dbraw/zinc/89/65/38/190896538.db2.gz DCYKNJJJQXNKKC-UHFFFAOYSA-N 1 0 324.472 3.751 10 0 DHAERO C[NH+](C)CCNc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000005688936 181273200 /nfs/dbraw/zinc/27/32/00/181273200.db2.gz ZHLAWCRBKNNTNO-UHFFFAOYSA-N 1 0 307.397 3.982 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N[C@@H](CCC)c1cccc(C(F)(F)F)c1 ZINC000236908280 202064411 /nfs/dbraw/zinc/06/44/11/202064411.db2.gz WVPNWWBZMFYDAF-KBPBESRZSA-N 1 0 316.367 3.790 10 0 DHAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000236986120 202109203 /nfs/dbraw/zinc/10/92/03/202109203.db2.gz XUIHVKLOOMOGMX-WBMJQRKESA-N 1 0 315.442 3.545 10 0 DHAERO O=C(O[C@H]1C[NH+]2CCC1CC2)C1(c2ccccc2)CCCCC1 ZINC000006095977 181312793 /nfs/dbraw/zinc/31/27/93/181312793.db2.gz DGCDVGUAZJYESZ-SFHVURJKSA-N 1 0 313.441 3.526 10 0 DHAERO COc1ccc(Cl)cc1C[NH2+]C12C[C@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000018211200 182099047 /nfs/dbraw/zinc/09/90/47/182099047.db2.gz JRFNNGVXJFLWSN-NLKGSNSHSA-N 1 0 321.848 3.522 10 0 DHAERO CN(c1ccccc1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000019266148 182111580 /nfs/dbraw/zinc/11/15/80/182111580.db2.gz UOEXHOIRPSJCGG-NSHDSACASA-N 1 0 311.248 3.647 10 0 DHAERO [NH3+]Cc1ccc(C(=O)Nc2ccccc2SC(F)F)cc1 ZINC000019233222 182109988 /nfs/dbraw/zinc/10/99/88/182109988.db2.gz AQJAJORRKCRXOU-UHFFFAOYSA-N 1 0 308.353 3.712 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2cccc(Br)c2)cc1OC ZINC000019425288 182122658 /nfs/dbraw/zinc/12/26/58/182122658.db2.gz KRHYXLBYEAWUML-HNNXBMFYSA-N 1 0 322.202 3.514 10 0 DHAERO COc1ccc([C@H]([NH3+])c2cc(F)ccc2Br)cc1 ZINC000019414752 182122758 /nfs/dbraw/zinc/12/27/58/182122758.db2.gz JZEJAGNGXTUMQJ-AWEZNQCLSA-N 1 0 310.166 3.645 10 0 DHAERO [NH3+]CCc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000019787554 182148302 /nfs/dbraw/zinc/14/83/02/182148302.db2.gz HXHBPLARIZOHDI-UHFFFAOYSA-N 1 0 302.780 3.983 10 0 DHAERO C[NH2+]Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000019777251 182147890 /nfs/dbraw/zinc/14/78/90/182147890.db2.gz AVKVSKIUGBFCCJ-UHFFFAOYSA-N 1 0 306.203 3.748 10 0 DHAERO COc1ccc([C@H]([NH3+])c2ccc(F)cc2Br)c(C)c1 ZINC000019972036 182172041 /nfs/dbraw/zinc/17/20/41/182172041.db2.gz CEVTZTBMMXPUCP-HNNXBMFYSA-N 1 0 324.193 3.953 10 0 DHAERO [NH3+][C@@H](c1cccc(Br)c1)c1c(F)cc(F)cc1F ZINC000019971829 182172318 /nfs/dbraw/zinc/17/23/18/182172318.db2.gz LMMVLGRFKCQUGA-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO CCC[NH+](CCC)[C@@H](CN)c1ccc(OC(F)(F)F)cc1 ZINC000019995013 182175519 /nfs/dbraw/zinc/17/55/19/182175519.db2.gz VBPOVIUUSKELHP-AWEZNQCLSA-N 1 0 304.356 3.707 10 0 DHAERO NC(=[NH2+])CCN(c1ccccc1)c1ncc(Cl)cc1Cl ZINC000020021062 182179982 /nfs/dbraw/zinc/17/99/82/182179982.db2.gz WIQXVPBAUTWDLL-UHFFFAOYSA-N 1 0 309.200 3.853 10 0 DHAERO Brc1ccc(C[NH2+]CCCOCc2ccco2)cc1 ZINC000020146947 182192534 /nfs/dbraw/zinc/19/25/34/182192534.db2.gz UIRQJDINHZIVNG-UHFFFAOYSA-N 1 0 324.218 3.739 10 0 DHAERO COc1ccc(F)cc1[C@@H]([NH3+])c1ccccc1Br ZINC000020470573 182221378 /nfs/dbraw/zinc/22/13/78/182221378.db2.gz OUQRZDXQJMXOGC-AWEZNQCLSA-N 1 0 310.166 3.645 10 0 DHAERO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1ccc(Br)cc1F)C2 ZINC000020523857 182227191 /nfs/dbraw/zinc/22/71/91/182227191.db2.gz IVGWNRWRKJZDLY-YOGCLGLASA-N 1 0 313.214 3.625 10 0 DHAERO CCCOc1c(Cl)cc(C[NH2+]Cc2ccncc2)cc1OC ZINC000020931693 182255358 /nfs/dbraw/zinc/25/53/58/182255358.db2.gz YGNSJZFTSJRISB-UHFFFAOYSA-N 1 0 320.820 3.822 10 0 DHAERO COc1ccc([C@H]([NH3+])c2cc(F)cc(Br)c2)cc1 ZINC000037034236 182863886 /nfs/dbraw/zinc/86/38/86/182863886.db2.gz KOOCXUAFAOQLNN-AWEZNQCLSA-N 1 0 310.166 3.645 10 0 DHAERO C[C@H]([NH2+]C(C)(C)CC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000037100707 182867208 /nfs/dbraw/zinc/86/72/08/182867208.db2.gz UEORKVTTZVYHKB-ZDUSSCGKSA-N 1 0 311.491 3.956 10 0 DHAERO CCC[NH2+][C@H](Cc1ccccc1Br)c1cnccn1 ZINC000037536075 182904887 /nfs/dbraw/zinc/90/48/87/182904887.db2.gz VZJYHBFTAIQZHA-CQSZACIVSA-N 1 0 320.234 3.523 10 0 DHAERO [NH3+]C[C@@H](Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000041541269 183200516 /nfs/dbraw/zinc/20/05/16/183200516.db2.gz DNNFXUOEXZEVLK-CYBMUJFWSA-N 1 0 308.194 3.873 10 0 DHAERO [NH3+]C[C@@H](Cc1ccccc1F)c1ccc(Br)cc1 ZINC000041541276 183200818 /nfs/dbraw/zinc/20/08/18/183200818.db2.gz IZFYBJYELZINBM-CYBMUJFWSA-N 1 0 308.194 3.873 10 0 DHAERO CC(C)[N@H+](CCC(N)=S)Cc1ccc(Cl)cc1Cl ZINC000042529250 183280854 /nfs/dbraw/zinc/28/08/54/183280854.db2.gz YUFKTKZBHJXFTO-UHFFFAOYSA-N 1 0 305.274 3.880 10 0 DHAERO CN(Cc1csc(Br)c1)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042363402 183259538 /nfs/dbraw/zinc/25/95/38/183259538.db2.gz KCYLUZJLKIWXSA-RYUDHWBXSA-N 1 0 317.296 3.602 10 0 DHAERO CN(CCC[NH2+]C(C)(C)C)Cc1cc(Br)cs1 ZINC000042400313 183264164 /nfs/dbraw/zinc/26/41/64/183264164.db2.gz YDXKOERVHVLRPF-UHFFFAOYSA-N 1 0 319.312 3.721 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)CN1CCCC1)c1cccc(Br)c1 ZINC000042597309 183289632 /nfs/dbraw/zinc/28/96/32/183289632.db2.gz VNMNZPXISAUVLZ-QWHCGFSZSA-N 1 0 311.267 3.584 10 0 DHAERO C[C@H](N(C)[C@@H](C[NH3+])c1ccc(Br)s1)C(C)(C)C ZINC000042741957 183304566 /nfs/dbraw/zinc/30/45/66/183304566.db2.gz MGMICVKBWNCQHM-UWVGGRQHSA-N 1 0 319.312 3.877 10 0 DHAERO C[C@H]([NH3+])[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC000042903180 183317491 /nfs/dbraw/zinc/31/74/91/183317491.db2.gz CUEBBYBUOCUTCX-NHYWBVRUSA-N 1 0 306.203 3.916 10 0 DHAERO [NH3+]C[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC000042899659 183317720 /nfs/dbraw/zinc/31/77/20/183317720.db2.gz KKUYNKYMPHWTCL-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO Cc1ccc(O[C@H](C[NH3+])c2ccc(F)cc2)c(Br)c1 ZINC000042916754 183317992 /nfs/dbraw/zinc/31/79/92/183317992.db2.gz JFBNBUMJEYFCJS-OAHLLOKOSA-N 1 0 324.193 3.975 10 0 DHAERO CCCC[N@H+](CC)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952513 183320456 /nfs/dbraw/zinc/32/04/56/183320456.db2.gz IMVLECWXZUWXTH-IUODEOHRSA-N 1 0 313.283 3.959 10 0 DHAERO CC[C@H](C)C[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952970 183321359 /nfs/dbraw/zinc/32/13/59/183321359.db2.gz VWSUHZLRQNIEJF-YWPYICTPSA-N 1 0 313.283 3.815 10 0 DHAERO CC[N@H+](CC(C)C)[C@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952933 183321470 /nfs/dbraw/zinc/32/14/70/183321470.db2.gz ZQVHUXGEWYTMRL-DOMZBBRYSA-N 1 0 313.283 3.815 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)Cc1ccoc1 ZINC000042954291 183321870 /nfs/dbraw/zinc/32/18/70/183321870.db2.gz VEIIKGSSWGYACN-ABAIWWIYSA-N 1 0 323.234 3.562 10 0 DHAERO CC(C)[C@H](C)[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042953345 183322187 /nfs/dbraw/zinc/32/21/87/183322187.db2.gz CCDZELOBRISLBV-TYNCELHUSA-N 1 0 313.283 3.814 10 0 DHAERO COc1ccccc1O[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042956922 183322636 /nfs/dbraw/zinc/32/26/36/183322636.db2.gz WAAUNLCZAIJPES-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO Cc1cccc([C@@H](C[NH3+])Oc2ccc(Br)cc2F)c1 ZINC000042968870 183324471 /nfs/dbraw/zinc/32/44/71/183324471.db2.gz FSTVCSZZSXTPKK-OAHLLOKOSA-N 1 0 324.193 3.975 10 0 DHAERO C[C@H](N)[C@H](c1cccc(Br)c1)[N@H+](C)C1CCCC1 ZINC000043020336 183328942 /nfs/dbraw/zinc/32/89/42/183328942.db2.gz LUUVWZFOCVTCHI-XHDPSFHLSA-N 1 0 311.267 3.712 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCC[C@@H](C)C1 ZINC000043019850 183329161 /nfs/dbraw/zinc/32/91/61/183329161.db2.gz JXZMYMVSHKVSRE-LALPHHSUSA-N 1 0 311.267 3.569 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)Cc1ccoc1 ZINC000043021193 183329603 /nfs/dbraw/zinc/32/96/03/183329603.db2.gz SNNRWYKVFOKSHA-ABAIWWIYSA-N 1 0 323.234 3.562 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](OCC(C)C)c1cccc(Br)c1 ZINC000043022904 183330425 /nfs/dbraw/zinc/33/04/25/183330425.db2.gz UBTGIVWXNYNFDX-KGLIPLIRSA-N 1 0 300.240 3.900 10 0 DHAERO [NH3+]C[C@H](OCc1cccs1)c1cccc(Br)c1 ZINC000043024033 183331128 /nfs/dbraw/zinc/33/11/28/183331128.db2.gz LUIITLDFGBFYCP-ZDUSSCGKSA-N 1 0 312.232 3.727 10 0 DHAERO C[C@H]([N@H+](C)CC(=O)c1ccc(Br)cc1)C(C)(C)C ZINC000042773586 183307310 /nfs/dbraw/zinc/30/73/10/183307310.db2.gz JDBCXEQIQPILGH-NSHDSACASA-N 1 0 312.251 3.998 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)n1nc(C)cc1C ZINC000043093707 183336812 /nfs/dbraw/zinc/33/68/12/183336812.db2.gz ATIBDAZDQMLOEG-HUUCEWRRSA-N 1 0 322.250 3.589 10 0 DHAERO CCn1cnnc1C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000105929593 194172171 /nfs/dbraw/zinc/17/21/71/194172171.db2.gz IGYYZRGAZWSPAA-UHFFFAOYSA-N 1 0 320.440 3.831 10 0 DHAERO C[NH2+][C@H]1CCCC[C@@H]1CCOc1ccc(Br)cc1 ZINC000049597132 183745619 /nfs/dbraw/zinc/74/56/19/183745619.db2.gz BGPPRXGXRKIYNT-DOMZBBRYSA-N 1 0 312.251 3.996 10 0 DHAERO C[NH2+][C@H](Cc1ccc(F)c(Br)c1)CC(F)(F)F ZINC000049599949 183747210 /nfs/dbraw/zinc/74/72/10/183747210.db2.gz CJDORVIKPLLSIB-MRVPVSSYSA-N 1 0 314.120 3.671 10 0 DHAERO CCC[NH2+][C@H](CCCOC)Cc1ccc(Br)cc1 ZINC000053821420 183913646 /nfs/dbraw/zinc/91/36/46/183913646.db2.gz SFQZCVAFZASEBR-OAHLLOKOSA-N 1 0 314.267 3.786 10 0 DHAERO [NH3+]C[C@@H](Nc1ccc(F)cc1)c1cccc(Br)c1 ZINC000057653634 184044034 /nfs/dbraw/zinc/04/40/34/184044034.db2.gz CCPYHLDPSORNMC-CQSZACIVSA-N 1 0 309.182 3.700 10 0 DHAERO Cc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000057382137 184037067 /nfs/dbraw/zinc/03/70/67/184037067.db2.gz KVTBKLLXVLHBBR-ZDUSSCGKSA-N 1 0 302.805 3.938 10 0 DHAERO Cc1ccccc1[C@@H](C[NH3+])Nc1ccc(Br)cc1 ZINC000057634063 184043205 /nfs/dbraw/zinc/04/32/05/184043205.db2.gz SXYKLPPLCMVCKD-OAHLLOKOSA-N 1 0 305.219 3.869 10 0 DHAERO CCC[NH2+][C@H](COCCC)Cc1ccc(Br)s1 ZINC000060702270 184154383 /nfs/dbraw/zinc/15/43/83/184154383.db2.gz GPNUIUBHSJMSJN-NSHDSACASA-N 1 0 320.296 3.848 10 0 DHAERO NNc1ccc(Cl)c(COc2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000061639446 184180143 /nfs/dbraw/zinc/18/01/43/184180143.db2.gz XIOAEHDLIWSFFR-UHFFFAOYSA-N 1 0 318.591 3.906 10 0 DHAERO CC1(C)CCN([C@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000061818444 184188471 /nfs/dbraw/zinc/18/84/71/184188471.db2.gz CVBACZUMGXVERO-CQSZACIVSA-N 1 0 311.267 3.571 10 0 DHAERO [NH3+][C@H](c1ccc2c(c1)COC2)c1cccc(Br)c1 ZINC000062332242 184231058 /nfs/dbraw/zinc/23/10/58/184231058.db2.gz LOLILUUUAABIFL-HNNXBMFYSA-N 1 0 304.187 3.527 10 0 DHAERO CC1(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000062839727 184255789 /nfs/dbraw/zinc/25/57/89/184255789.db2.gz HEAIXNWMCHMHBM-UHFFFAOYSA-N 1 0 321.635 3.975 10 0 DHAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000120437114 195166974 /nfs/dbraw/zinc/16/69/74/195166974.db2.gz WITAWUZQEZWDNE-LEWJYISDSA-N 1 0 324.468 3.965 10 0 DHAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2cccc(Oc3ccccc3)c2)C1 ZINC000152022760 196760514 /nfs/dbraw/zinc/76/05/14/196760514.db2.gz UPAZINSAFMCXHW-SJORKVTESA-N 1 0 324.424 3.613 10 0 DHAERO FC(F)(F)OCCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000096308360 257133201 /nfs/dbraw/zinc/13/32/01/257133201.db2.gz DONIHLVULMWSGS-UHFFFAOYSA-N 1 0 301.230 3.722 10 0 DHAERO C[C@H]([NH2+]CCc1ccsc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279683896 130757763 /nfs/dbraw/zinc/75/77/63/130757763.db2.gz HKSZYPFGQUUAIS-DZGCQCFKSA-N 1 0 324.490 3.526 10 0 DHAERO Nc1cc[nH+]cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000082335608 331691454 /nfs/dbraw/zinc/69/14/54/331691454.db2.gz ANKZQKDEFGHVMZ-UHFFFAOYSA-N 1 0 305.337 3.708 10 0 DHAERO [NH3+][C@H]1CCC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000262014000 331788718 /nfs/dbraw/zinc/78/87/18/331788718.db2.gz WUBVQHGVINRBAE-JQWIXIFHSA-N 1 0 311.307 3.740 10 0 DHAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000261720707 331824887 /nfs/dbraw/zinc/82/48/87/331824887.db2.gz LWMZKQQEMNYREE-QAPCUYQASA-N 1 0 308.425 3.604 10 0 DHAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1F)[C@@H]([NH3+])c1ccccc1 ZINC000130203382 332023399 /nfs/dbraw/zinc/02/33/99/332023399.db2.gz HXAUSKXPEDYTJM-MEBBXXQBSA-N 1 0 306.768 3.754 10 0 DHAERO CC[C@H](NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)c1cccs1 ZINC000130345043 332024353 /nfs/dbraw/zinc/02/43/53/332024353.db2.gz NKZMLSJHCKHWGZ-NOLJZWGESA-N 1 0 302.443 3.652 10 0 DHAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1ccc(Br)o1 ZINC000191227861 332121672 /nfs/dbraw/zinc/12/16/72/332121672.db2.gz OBLGKSJHGJEYAN-LBPRGKRZSA-N 1 0 324.218 3.737 10 0 DHAERO C[C@@H](NC(=O)[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000040807452 332171993 /nfs/dbraw/zinc/17/19/93/332171993.db2.gz LOZXVHWKDIQKKE-BMIGLBTASA-N 1 0 323.223 3.871 10 0 DHAERO COCCC[C@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000178027147 333001287 /nfs/dbraw/zinc/00/12/87/333001287.db2.gz QGTUSAFKVOVHTI-NWDGAFQWSA-N 1 0 300.240 3.915 10 0 DHAERO Cc1noc(CC[NH2+][C@H](c2ccccc2)c2ccc(C)cc2C)n1 ZINC000180842411 333028829 /nfs/dbraw/zinc/02/88/29/333028829.db2.gz TUJPCLPCNREWKA-HXUWFJFHSA-N 1 0 321.424 3.917 10 0 DHAERO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000188648223 333051272 /nfs/dbraw/zinc/05/12/72/333051272.db2.gz USPMXLYZHRHEKM-OAHLLOKOSA-N 1 0 309.523 3.641 10 0 DHAERO C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1F ZINC000183213097 333053084 /nfs/dbraw/zinc/05/30/84/333053084.db2.gz ZYJRDIXLAASEJV-DYVFJYSZSA-N 1 0 304.384 3.918 10 0 DHAERO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000101563169 334327530 /nfs/dbraw/zinc/32/75/30/334327530.db2.gz LIMMLJHMCFCFHA-KBPBESRZSA-N 1 0 308.853 3.782 10 0 DHAERO CC(C)(C)[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000162441801 334907727 /nfs/dbraw/zinc/90/77/27/334907727.db2.gz ULAVZCHLPSVLHI-PVXIVEMSSA-N 1 0 324.415 3.686 10 0 DHAERO C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1cccs1 ZINC000043290634 336253621 /nfs/dbraw/zinc/25/36/21/336253621.db2.gz SMBYMJIRGJHYAE-OAHLLOKOSA-N 1 0 323.506 3.620 10 0 DHAERO CC(C)C(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000192840146 336265463 /nfs/dbraw/zinc/26/54/63/336265463.db2.gz NMZYQXWZYKGKKH-SJORKVTESA-N 1 0 308.510 3.828 10 0 DHAERO CCC[N@@H+]1CCCN(c2ccc3c(Cl)ccnc3c2F)CC1 ZINC000301382735 336303698 /nfs/dbraw/zinc/30/36/98/336303698.db2.gz AXUKCLPWQANSCY-UHFFFAOYSA-N 1 0 321.827 3.949 10 0 DHAERO C[C@@H]1CN(c2ccnc3cc(C(F)(F)F)ccc32)C[C@H]1[NH+](C)C ZINC000301784869 336329633 /nfs/dbraw/zinc/32/96/33/336329633.db2.gz KRYZUMAQQZSCKQ-BDJLRTHQSA-N 1 0 323.362 3.640 10 0 DHAERO C[C@@H]1C[C@H](CNc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000301884322 336336092 /nfs/dbraw/zinc/33/60/92/336336092.db2.gz NUKUWUVVKFEEON-NVXWUHKLSA-N 1 0 320.440 3.885 10 0 DHAERO C[C@H]1C[C@H](CNc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000301884321 336336143 /nfs/dbraw/zinc/33/61/43/336336143.db2.gz NUKUWUVVKFEEON-DOTOQJQBSA-N 1 0 320.440 3.885 10 0 DHAERO Cc1nc2ccccc2nc1N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000301998227 336342170 /nfs/dbraw/zinc/34/21/70/336342170.db2.gz UOVNTSZFWPEYBU-QGZVFWFLSA-N 1 0 324.472 3.783 10 0 DHAERO CNC(=O)[C@H]1CCCC[C@@H]1Nc1c(C)c(C)[nH+]c2ccccc21 ZINC000302102351 336348646 /nfs/dbraw/zinc/34/86/46/336348646.db2.gz VQHOODWBVOISGL-RDJZCZTQSA-N 1 0 311.429 3.568 10 0 DHAERO C[C@@](O)(CN[C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000170777404 337083070 /nfs/dbraw/zinc/08/30/70/337083070.db2.gz QOOXASIYWVTVGV-PKOBYXMFSA-N 1 0 324.449 3.730 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(OC(C)C)cc3)C2)c1 ZINC000171529555 337087935 /nfs/dbraw/zinc/08/79/35/337087935.db2.gz BBOZNAMOOAEHNC-GOSISDBHSA-N 1 0 313.445 3.816 10 0 DHAERO C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000172100951 337089789 /nfs/dbraw/zinc/08/97/89/337089789.db2.gz WMYCFUJAVLNIGB-INIZCTEOSA-N 1 0 313.401 3.710 10 0 DHAERO CC(C)[NH+](CCCNC(=O)N1CCC[C@H]1c1ccco1)C(C)C ZINC000174349958 337140851 /nfs/dbraw/zinc/14/08/51/337140851.db2.gz HEFXEDOXULMJOT-INIZCTEOSA-N 1 0 321.465 3.635 10 0 DHAERO Cc1ccc([C@H]2C[C@H](C)CCN2Cc2nnc(C3CC3)n2C)o1 ZINC000174435812 337141947 /nfs/dbraw/zinc/14/19/47/337141947.db2.gz CDCJHXQRBWTZFU-IUODEOHRSA-N 1 0 314.433 3.567 10 0 DHAERO O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174534636 337142520 /nfs/dbraw/zinc/14/25/20/337142520.db2.gz QTWPSEXSWLAFFK-BHIYHBOVSA-N 1 0 318.505 3.537 10 0 DHAERO c1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000174848629 337144969 /nfs/dbraw/zinc/14/49/69/337144969.db2.gz RIQHKDAUZFETMC-IEBWSBKVSA-N 1 0 322.456 3.503 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000178313538 337163775 /nfs/dbraw/zinc/16/37/75/337163775.db2.gz RJYRYSWNBFKJRG-INIZCTEOSA-N 1 0 323.362 3.875 10 0 DHAERO CC[C@@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1cccs1 ZINC000180498290 337175885 /nfs/dbraw/zinc/17/58/85/337175885.db2.gz NYRPAUYNFUNJFA-QWHCGFSZSA-N 1 0 304.463 3.519 10 0 DHAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC(C)C)c1cccs1)CC2 ZINC000180616452 337176612 /nfs/dbraw/zinc/17/66/12/337176612.db2.gz CNHIVGSFAIDBOR-ZIAGYGMSSA-N 1 0 318.490 3.594 10 0 DHAERO Cc1cc([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c(C)s1 ZINC000180635498 337176792 /nfs/dbraw/zinc/17/67/92/337176792.db2.gz UDJJFAQMCBWCFQ-OCCSQVGLSA-N 1 0 318.490 3.745 10 0 DHAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c(C)s1 ZINC000180635479 337176794 /nfs/dbraw/zinc/17/67/94/337176794.db2.gz UDJJFAQMCBWCFQ-GXTWGEPZSA-N 1 0 318.490 3.745 10 0 DHAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000180649536 337176906 /nfs/dbraw/zinc/17/69/06/337176906.db2.gz KIWLNARSVKWLIC-INMHGKMJSA-N 1 0 324.472 3.863 10 0 DHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nc(C(C)C)nn3C1)CCC2 ZINC000180643882 337176960 /nfs/dbraw/zinc/17/69/60/337176960.db2.gz AULUASQYBZGTOX-SJLPKXTDSA-N 1 0 324.472 3.692 10 0 DHAERO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc2ccccc2n1)C(C)C ZINC000185236932 337203519 /nfs/dbraw/zinc/20/35/19/337203519.db2.gz NXBOFFZFWIIPCJ-LJQANCHMSA-N 1 0 314.429 3.692 10 0 DHAERO CCSc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000186206876 337254737 /nfs/dbraw/zinc/25/47/37/337254737.db2.gz UUTXNXXLRPPLIM-UHFFFAOYSA-N 1 0 301.459 3.901 10 0 DHAERO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000186934011 337260475 /nfs/dbraw/zinc/26/04/75/337260475.db2.gz NLUUCYXKTYLNRF-AWEZNQCLSA-N 1 0 314.454 3.695 10 0 DHAERO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)c(C)n1 ZINC000187101356 337262435 /nfs/dbraw/zinc/26/24/35/337262435.db2.gz CWLANMABWIKAPY-UXHICEINSA-N 1 0 310.441 3.787 10 0 DHAERO CC(C)CSCCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188161655 337271132 /nfs/dbraw/zinc/27/11/32/337271132.db2.gz MIZNUGMSIVHFLM-HOTGVXAUSA-N 1 0 313.532 3.535 10 0 DHAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1csc(Cl)c1)CC2 ZINC000191357804 337296350 /nfs/dbraw/zinc/29/63/50/337296350.db2.gz UMKXNIQDFXJAQZ-PWSUYJOCSA-N 1 0 324.881 3.782 10 0 DHAERO CC(C)(C)OC(=O)CC[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000584599676 337370675 /nfs/dbraw/zinc/37/06/75/337370675.db2.gz UPJSUDJIKHKNSY-UHFFFAOYSA-N 1 0 318.244 3.857 10 0 DHAERO CCCCOc1ccc([C@@H]2N=C(CC[NH2+]CC)ON2CC)cc1 ZINC000584614138 337372574 /nfs/dbraw/zinc/37/25/74/337372574.db2.gz SRWKFQUBSKXFTJ-GOSISDBHSA-N 1 0 319.449 3.529 10 0 DHAERO C[C@H](N[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000584614393 337372636 /nfs/dbraw/zinc/37/26/36/337372636.db2.gz HOBKROOOALTDOO-CPLUKWAASA-N 1 0 324.472 3.789 10 0 DHAERO FC(F)C1(c2cccc(Br)c2C[NH2+]C2CC2)CC1 ZINC000584595253 337374000 /nfs/dbraw/zinc/37/40/00/337374000.db2.gz XPUJRFMZTOLLPR-UHFFFAOYSA-N 1 0 316.189 3.998 10 0 DHAERO CC[C@H](CCOC)c1cc2c(cc1[C@@H](C)[NH3+])NC(=O)CC2(C)C ZINC000584654411 337377784 /nfs/dbraw/zinc/37/77/84/337377784.db2.gz NBSAWNYYERHPSM-CHWSQXEVSA-N 1 0 318.461 3.856 10 0 DHAERO CCc1nccn1[C@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC000109677659 337388541 /nfs/dbraw/zinc/38/85/41/337388541.db2.gz RYEMZYGNBHTUDJ-KRWDZBQOSA-N 1 0 317.477 3.970 10 0 DHAERO CC(C)[C@H](C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@H](C)[NH3+] ZINC000399508981 337392890 /nfs/dbraw/zinc/39/28/90/337392890.db2.gz KYUFFNAJAVSBMJ-BHDSKKPTSA-N 1 0 317.260 3.790 10 0 DHAERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC)C2)cc1OCC ZINC000133069719 337444189 /nfs/dbraw/zinc/44/41/89/337444189.db2.gz IRBSQGBEWIGMTG-DOTOQJQBSA-N 1 0 320.477 3.619 10 0 DHAERO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503972 337467484 /nfs/dbraw/zinc/46/74/84/337467484.db2.gz VDMQYCVPKQKVRI-GFCCVEGCSA-N 1 0 305.372 3.639 10 0 DHAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000246385107 337540835 /nfs/dbraw/zinc/54/08/35/337540835.db2.gz KIWLNARSVKWLIC-VYDXJSESSA-N 1 0 324.472 3.863 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)s2)C12CCOCC2 ZINC000248992165 337569128 /nfs/dbraw/zinc/56/91/28/337569128.db2.gz LHKNMASHUPNWNP-FVQBIDKESA-N 1 0 309.475 3.681 10 0 DHAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(=O)Nc1ccccc1 ZINC000078268518 337593044 /nfs/dbraw/zinc/59/30/44/337593044.db2.gz NCNFWHQMYPXJBF-VXGBXAGGSA-N 1 0 304.340 3.643 10 0 DHAERO C[NH2+][C@H](C)Cc1noc([C@H]2C[C@@H]2c2ccc3ccccc3c2)n1 ZINC000261664336 337607826 /nfs/dbraw/zinc/60/78/26/337607826.db2.gz FTLWPRPBFDPMQD-JLZZUVOBSA-N 1 0 307.397 3.644 10 0 DHAERO C[C@@H](CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1)C(C)(C)C ZINC000262077646 337614837 /nfs/dbraw/zinc/61/48/37/337614837.db2.gz QBGVNSFWGMEBGC-NSHDSACASA-N 1 0 309.479 3.621 10 0 DHAERO Cc1ccc(C[NH2+]Cc2ccc(O)cc2)cc1Br ZINC000119575980 337861930 /nfs/dbraw/zinc/86/19/30/337861930.db2.gz VMMSZAMHNUOLFV-UHFFFAOYSA-N 1 0 306.203 3.753 10 0 DHAERO Cc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000120922853 337881786 /nfs/dbraw/zinc/88/17/86/337881786.db2.gz HVGHWKVBQOEXLH-AWEZNQCLSA-N 1 0 300.377 3.732 10 0 DHAERO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000165291957 339052859 /nfs/dbraw/zinc/05/28/59/339052859.db2.gz OOTQZUBTIOPAMQ-JTQLQIEISA-N 1 0 317.260 3.936 10 0 DHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2)C[C@H](C)O1 ZINC000466425187 339204335 /nfs/dbraw/zinc/20/43/35/339204335.db2.gz KWWWEVXHEYBLCO-DABQJJPHSA-N 1 0 312.251 3.742 10 0 DHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000484395931 339685882 /nfs/dbraw/zinc/68/58/82/339685882.db2.gz JKDLSNLFKLENAG-MELADBBJSA-N 1 0 312.276 3.920 10 0 DHAERO O[C@@H](COCc1ccccc1)C[NH+]1CCC2(CCCCC2)CC1 ZINC000302976043 340291579 /nfs/dbraw/zinc/29/15/79/340291579.db2.gz FPEADMLNUQNGBK-LJQANCHMSA-N 1 0 317.473 3.610 10 0 DHAERO CC[NH+](CC)CCCNC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000173310892 340362118 /nfs/dbraw/zinc/36/21/18/340362118.db2.gz HNHPKBZANCTVEU-INIZCTEOSA-N 1 0 321.465 3.557 10 0 DHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1Br ZINC000309848440 340433816 /nfs/dbraw/zinc/43/38/16/340433816.db2.gz HUOISVLFKMSYSO-JIMOISOXSA-N 1 0 300.265 3.994 10 0 DHAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000311929690 340450429 /nfs/dbraw/zinc/45/04/29/340450429.db2.gz IDDXQAMPHLIDDJ-MAZHCROVSA-N 1 0 324.262 3.577 10 0 DHAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000190024791 340542018 /nfs/dbraw/zinc/54/20/18/340542018.db2.gz NBXCPALMYDKQJJ-MAUKXSAKSA-N 1 0 317.477 3.608 10 0 DHAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000223849931 340548471 /nfs/dbraw/zinc/54/84/71/340548471.db2.gz OPNQBLJKKMVQNB-APHBMKBZSA-N 1 0 324.262 3.577 10 0 DHAERO C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000134538611 341217519 /nfs/dbraw/zinc/21/75/19/341217519.db2.gz ZWVLPEKKTNJIEL-QWRGUYRKSA-N 1 0 315.244 3.560 10 0 DHAERO Cc1ncc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)s1 ZINC000134837425 341224823 /nfs/dbraw/zinc/22/48/23/341224823.db2.gz HVWWZBDKYRCMFE-HNNXBMFYSA-N 1 0 318.417 3.828 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000245415604 341292242 /nfs/dbraw/zinc/29/22/42/341292242.db2.gz GPIZYPYPOXTNFG-CZUORRHYSA-N 1 0 323.868 3.527 10 0 DHAERO CCc1nnc(C[N@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)n1C ZINC000245460000 341295573 /nfs/dbraw/zinc/29/55/73/341295573.db2.gz DXTJJLPHEARZLT-STQMWFEESA-N 1 0 320.868 3.655 10 0 DHAERO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCS[C@@H](C)C1 ZINC000245494576 341297197 /nfs/dbraw/zinc/29/71/97/341297197.db2.gz NSQDMMHKZFTIPQ-WDEREUQCSA-N 1 0 323.849 3.888 10 0 DHAERO CC(C)[C@@H](CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000245854022 341316147 /nfs/dbraw/zinc/31/61/47/341316147.db2.gz NKRYIFYCXRVOHR-RBUKOAKNSA-N 1 0 314.473 3.513 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)CC2 ZINC000245937407 341318850 /nfs/dbraw/zinc/31/88/50/341318850.db2.gz XQMDXOCPJQNDEY-BZUAXINKSA-N 1 0 318.509 3.911 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCCC[C@H]1C(C)(C)C)CC2 ZINC000245937414 341318902 /nfs/dbraw/zinc/31/89/02/341318902.db2.gz XQMDXOCPJQNDEY-OAGGEKHMSA-N 1 0 318.509 3.911 10 0 DHAERO Cc1cc(-c2noc([C@H](C)N3CCS[C@@H](C)C3)n2)ccc1F ZINC000246120612 341327759 /nfs/dbraw/zinc/32/77/59/341327759.db2.gz KZURCYCHHNWCFM-RYUDHWBXSA-N 1 0 321.421 3.682 10 0 DHAERO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246132516 341328383 /nfs/dbraw/zinc/32/83/83/341328383.db2.gz MPCRPTIMABAHPZ-KBPBESRZSA-N 1 0 317.383 3.855 10 0 DHAERO Clc1cc2cccnc2c(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000246234248 341336405 /nfs/dbraw/zinc/33/64/05/341336405.db2.gz SVMLMLPOKGQZDX-KRWDZBQOSA-N 1 0 315.848 3.558 10 0 DHAERO CC(C)c1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000246321879 341342157 /nfs/dbraw/zinc/34/21/57/341342157.db2.gz ANNRGCDZKRLJAB-YOEHRIQHSA-N 1 0 301.434 3.510 10 0 DHAERO CC[C@H](C)[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246439512 341348934 /nfs/dbraw/zinc/34/89/34/341348934.db2.gz OLLZUNTUBGNYTN-YHUYYLMFSA-N 1 0 310.507 3.534 10 0 DHAERO COc1cc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)ccc1SC ZINC000246468139 341349992 /nfs/dbraw/zinc/34/99/92/341349992.db2.gz QHCBTJQZJSMJSD-IJEWVQPXSA-N 1 0 322.518 3.796 10 0 DHAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cc(Br)ccc1F ZINC000246857252 341357943 /nfs/dbraw/zinc/35/79/43/341357943.db2.gz CVPHXRLQAGYNSQ-PKFCDNJMSA-N 1 0 316.214 3.806 10 0 DHAERO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](CCCc2ccccc2)C1 ZINC000246903450 341358439 /nfs/dbraw/zinc/35/84/39/341358439.db2.gz XUJYEZUXXFERCK-APWZRJJASA-N 1 0 317.379 3.705 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccccc2s1 ZINC000247080259 341360824 /nfs/dbraw/zinc/36/08/24/341360824.db2.gz ZEXMKTSSQTWFTL-CABCVRRESA-N 1 0 314.454 3.600 10 0 DHAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2ccccc2OC(F)F)C1 ZINC000248061088 341372988 /nfs/dbraw/zinc/37/29/88/341372988.db2.gz YKAIFTWGNZWLTD-VNHYZAJKSA-N 1 0 312.404 3.667 10 0 DHAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cccc(-c2ccncc2)c1 ZINC000248215339 341374760 /nfs/dbraw/zinc/37/47/60/341374760.db2.gz ZOOOUXUJEYQLRH-CWFSZBLJSA-N 1 0 310.441 3.950 10 0 DHAERO Clc1ccccc1-c1csc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000248461363 341378308 /nfs/dbraw/zinc/37/83/08/341378308.db2.gz OZSPJLNNUGYDCL-LBPRGKRZSA-N 1 0 319.861 3.748 10 0 DHAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc(OCC3CC3)cc1)CC2 ZINC000248896957 341389690 /nfs/dbraw/zinc/38/96/90/341389690.db2.gz UFLRLDKKIMPAJK-ICSRJNTNSA-N 1 0 315.457 3.602 10 0 DHAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccc(OCC3CC3)cc1)CC2 ZINC000248896956 341389740 /nfs/dbraw/zinc/38/97/40/341389740.db2.gz UFLRLDKKIMPAJK-AZUAARDMSA-N 1 0 315.457 3.602 10 0 DHAERO Cc1csc([C@@H]2C[N@H+](C[C@@H]3C(C)=CCC[C@@H]3C)CCO2)n1 ZINC000249062904 341393019 /nfs/dbraw/zinc/39/30/19/341393019.db2.gz IFTPTIKCXBRJQD-IMJJTQAJSA-N 1 0 306.475 3.817 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000249614288 341399939 /nfs/dbraw/zinc/39/99/39/341399939.db2.gz OZQRVXCWUNBFAF-OCCSQVGLSA-N 1 0 309.523 3.884 10 0 DHAERO COc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)ccc1F ZINC000153593530 341575481 /nfs/dbraw/zinc/57/54/81/341575481.db2.gz HMGPQXMICJDRBV-QWHCGFSZSA-N 1 0 303.377 3.822 10 0 DHAERO O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000154925875 341598271 /nfs/dbraw/zinc/59/82/71/341598271.db2.gz ZEVQPGXUAXSHNT-IPMKNSEASA-N 1 0 318.505 3.680 10 0 DHAERO CC(C)CNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000182559645 519741954 /nfs/dbraw/zinc/74/19/54/519741954.db2.gz NMFAZSVVROCNBF-AWEZNQCLSA-N 1 0 316.470 3.985 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1csc(Cl)c1)CC2 ZINC000191428276 519897505 /nfs/dbraw/zinc/89/75/05/519897505.db2.gz HILZDEBTQQXKFI-ZYHUDNBSSA-N 1 0 324.881 3.782 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C12CCOCC2 ZINC000186201512 520373882 /nfs/dbraw/zinc/37/38/82/520373882.db2.gz WZIFJISYQONTHU-IAOVAPTHSA-N 1 0 323.864 3.965 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2)C12CCOCC2 ZINC000186259587 520374286 /nfs/dbraw/zinc/37/42/86/520374286.db2.gz IQXFCBFPIWGEDV-CGTJXYLNSA-N 1 0 303.446 3.620 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2)C12CCOCC2 ZINC000186259552 520434006 /nfs/dbraw/zinc/43/40/06/520434006.db2.gz IQXFCBFPIWGEDV-RYQLBKOJSA-N 1 0 303.446 3.620 10 0 DHAERO CCOc1ccccc1C[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000106217519 521483083 /nfs/dbraw/zinc/48/30/83/521483083.db2.gz PKPXTBUJCHZCMJ-KRWDZBQOSA-N 1 0 313.445 3.681 10 0 DHAERO CCc1nc(C)c([C@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)s1 ZINC000163800877 522233470 /nfs/dbraw/zinc/23/34/70/522233470.db2.gz GDWZCSZWUMTCLM-BBRMVZONSA-N 1 0 317.502 3.967 10 0 DHAERO CCc1noc(C2CCC([NH2+][C@H](C)c3ccc(C)o3)CC2)n1 ZINC000182519877 522878030 /nfs/dbraw/zinc/87/80/30/522878030.db2.gz GNKYUOJXMIDTQD-IYXRBSQSSA-N 1 0 303.406 3.910 10 0 DHAERO CN(Cc1ccccc1-c1ccccc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237173879 523355420 /nfs/dbraw/zinc/35/54/20/523355420.db2.gz LGJMBVXNYOYZCA-PKOBYXMFSA-N 1 0 322.452 3.830 10 0 DHAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000180522470 524047379 /nfs/dbraw/zinc/04/73/79/524047379.db2.gz HRHORUQTPOCEOV-STQMWFEESA-N 1 0 318.490 3.691 10 0 DHAERO Cc1cccc(C(NC(=O)[C@H]2CCC[NH2+]C2)c2cccc(C)c2)c1 ZINC000119446964 524243974 /nfs/dbraw/zinc/24/39/74/524243974.db2.gz PCWKJNDPTFXASP-IBGZPJMESA-N 1 0 322.452 3.509 10 0 DHAERO Cc1cccc(NC2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)c1 ZINC000153014416 524671692 /nfs/dbraw/zinc/67/16/92/524671692.db2.gz UDUOBAYIXOPWEQ-OAQYLSRUSA-N 1 0 324.468 3.779 10 0 DHAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1C ZINC000180535018 524875499 /nfs/dbraw/zinc/87/54/99/524875499.db2.gz BLKOZIOWEQDINB-JKSUJKDBSA-N 1 0 312.461 3.684 10 0 DHAERO C[C@H](NCc1ccc2ccccc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102352 525452407 /nfs/dbraw/zinc/45/24/07/525452407.db2.gz AZRIEPPDEZLMEY-WMZOPIPTSA-N 1 0 323.484 3.977 10 0 DHAERO COc1ccc2oc(C[N@@H+]3CCC[C@H]3c3cnn(C)c3)cc2c1 ZINC000131972207 525685301 /nfs/dbraw/zinc/68/53/01/525685301.db2.gz HUMQZQCKIALVQL-KRWDZBQOSA-N 1 0 311.385 3.512 10 0 DHAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc1C ZINC000180514760 525750439 /nfs/dbraw/zinc/75/04/39/525750439.db2.gz VFRIYZFHRXHCRE-WBVHZDCISA-N 1 0 312.461 3.684 10 0 DHAERO COc1cccc(CC[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)c1 ZINC000191180281 525903833 /nfs/dbraw/zinc/90/38/33/525903833.db2.gz NNIVTSPRVJQXSV-CQSZACIVSA-N 1 0 315.461 3.848 10 0 DHAERO Cc1c([C@H](C)N[C@H](C[NH+](C)C)c2ccccc2)cnn1C(C)C ZINC000191136285 525924321 /nfs/dbraw/zinc/92/43/21/525924321.db2.gz JFULKQHKDXVLCR-HNAYVOBHSA-N 1 0 314.477 3.726 10 0 DHAERO Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(C[NH3+])cc2)o1 ZINC000186460847 526038495 /nfs/dbraw/zinc/03/84/95/526038495.db2.gz JELOBNBQWQFZPR-CXAGYDPISA-N 1 0 312.413 3.660 10 0 DHAERO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000106217869 526064807 /nfs/dbraw/zinc/06/48/07/526064807.db2.gz JYAGKAFUZCFAKA-KXBFYZLASA-N 1 0 306.413 3.829 10 0 DHAERO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000106217871 526071766 /nfs/dbraw/zinc/07/17/66/526071766.db2.gz JYAGKAFUZCFAKA-BEFAXECRSA-N 1 0 306.413 3.829 10 0 DHAERO c1coc([C@@H]2CCC[N@H+]2CCc2nc(-c3ccccc3)no2)c1 ZINC000158411330 526570377 /nfs/dbraw/zinc/57/03/77/526570377.db2.gz JIBLJOLDUXPOHB-HNNXBMFYSA-N 1 0 309.369 3.709 10 0 DHAERO Cc1oc2ccccc2c1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000128171662 526786118 /nfs/dbraw/zinc/78/61/18/526786118.db2.gz GMODAULJGJRTCO-UHFFFAOYSA-N 1 0 309.413 3.854 10 0 DHAERO Cc1nc2c(s1)[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)CCC2 ZINC000163851407 527109563 /nfs/dbraw/zinc/10/95/63/527109563.db2.gz QEJYWVKOAGVCPV-DLBZAZTESA-N 1 0 315.486 3.721 10 0 DHAERO O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000156641074 527175303 /nfs/dbraw/zinc/17/53/03/527175303.db2.gz AAFGLFZMJYUOFO-UHFFFAOYSA-N 1 0 307.180 3.849 10 0 DHAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)cn1 ZINC000128536198 527301065 /nfs/dbraw/zinc/30/10/65/527301065.db2.gz RINCXBQTOWBLQP-LLVKDONJSA-N 1 0 310.228 3.716 10 0 DHAERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4)o3)C2)cn1 ZINC000128352707 527319674 /nfs/dbraw/zinc/31/96/74/527319674.db2.gz UKFHWXXADWMQLZ-INIZCTEOSA-N 1 0 307.397 3.670 10 0 DHAERO [NH3+][C@@H]1CCCc2nc([C@@H]3CCCN3Cc3ccccc3)sc21 ZINC000072207476 527362861 /nfs/dbraw/zinc/36/28/61/527362861.db2.gz NQNBJWRDONXCIW-ZBFHGGJFSA-N 1 0 313.470 3.816 10 0 DHAERO C[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)[NH2+]CCc1ccsc12 ZINC000712521453 563321301 /nfs/dbraw/zinc/32/13/01/563321301.db2.gz AHMNBSNWKICZEC-YVEFUNNKSA-N 1 0 322.474 3.509 10 0 DHAERO CC(C)(C)OC(=O)N[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000113415223 563439008 /nfs/dbraw/zinc/43/90/08/563439008.db2.gz YUKKHANGUKIABG-JTQLQIEISA-N 1 0 305.205 3.518 10 0 DHAERO CC(C)C[N@H+](Cc1ccccn1)C[C@]1(c2ccccc2)CCOC1 ZINC000055199577 563472459 /nfs/dbraw/zinc/47/24/59/563472459.db2.gz DSJFKXVJOVESDL-OAQYLSRUSA-N 1 0 324.468 3.898 10 0 DHAERO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000068592998 563495830 /nfs/dbraw/zinc/49/58/30/563495830.db2.gz UCWSKARTULHLTN-VYDXJSESSA-N 1 0 318.461 3.810 10 0 DHAERO CC(C)(C)OC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000107956590 563517699 /nfs/dbraw/zinc/51/76/99/563517699.db2.gz OYPYUURVQSHFKL-UHFFFAOYSA-N 1 0 318.461 3.813 10 0 DHAERO c1[nH]c([C@H]2CCC[N@@H+](CC3=CCCOC3)C2)nc1-c1ccccc1 ZINC000093387294 1032535678 /nfs/dbraw/zinc/53/56/78/1032535678.db2.gz BIFKTBSVOHVYSG-SFHVURJKSA-N 1 0 323.440 3.603 10 0 DHAERO c1csc(Cn2cccc2C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000093505074 1032543106 /nfs/dbraw/zinc/54/31/06/1032543106.db2.gz GZWPTEZPLBCLPJ-CRAIPNDOSA-N 1 0 316.470 3.599 10 0 DHAERO C[NH+](C)Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000073047318 1030589133 /nfs/dbraw/zinc/58/91/33/1030589133.db2.gz CIMWLDZJZNDUOR-UHFFFAOYSA-N 1 0 320.436 3.678 10 0 DHAERO CC(C)c1ccc([C@@H]2C[NH2+]CCN2C(=O)OC(C)(C)C)cc1 ZINC000095752095 185383962 /nfs/dbraw/zinc/38/39/62/185383962.db2.gz IIIUXNQGLQPIMI-INIZCTEOSA-N 1 0 304.434 3.691 10 0 DHAERO CCC[NH2+]Cc1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000082661941 185191495 /nfs/dbraw/zinc/19/14/95/185191495.db2.gz MZFYXQDURKJXEV-UHFFFAOYSA-N 1 0 301.287 3.530 10 0 DHAERO COc1ccccc1C[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)C(C)C ZINC000090528571 185300517 /nfs/dbraw/zinc/30/05/17/185300517.db2.gz XQIKTSPVQJJECT-KDOFPFPSSA-N 1 0 315.461 3.515 10 0 DHAERO C[NH2+]C[C@@H]1CC[C@@H](COc2cc(Cl)c(Cl)cc2Cl)O1 ZINC000052649316 190682732 /nfs/dbraw/zinc/68/27/32/190682732.db2.gz YEVGKJALPQQQFQ-IUCAKERBSA-N 1 0 324.635 3.793 10 0 DHAERO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000072535542 191188823 /nfs/dbraw/zinc/18/88/23/191188823.db2.gz WIVIGQDUIRNSCB-CHWSQXEVSA-N 1 0 318.367 3.951 10 0 DHAERO CCCc1ccc([C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C(C)C)cc1 ZINC000236921296 202072679 /nfs/dbraw/zinc/07/26/79/202072679.db2.gz RXWDRFMMLUFGHG-KZNAEPCWSA-N 1 0 302.462 3.580 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000236987389 202109736 /nfs/dbraw/zinc/10/97/36/202109736.db2.gz JFZZXLORRICHTM-SJORKVTESA-N 1 0 316.832 3.673 10 0 DHAERO [NH3+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000091691242 193093038 /nfs/dbraw/zinc/09/30/38/193093038.db2.gz ADKBAMYNQIJAOF-WMLDXEAASA-N 1 0 321.251 3.920 10 0 DHAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccc2ccccc2c1 ZINC000095752327 193447950 /nfs/dbraw/zinc/44/79/50/193447950.db2.gz ZWISIHYADOXSAE-KRWDZBQOSA-N 1 0 312.413 3.721 10 0 DHAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1ccc(Cl)cc1 ZINC000015482946 182004517 /nfs/dbraw/zinc/00/45/17/182004517.db2.gz SUYYYAVZYHCSBM-JTQLQIEISA-N 1 0 324.211 3.678 10 0 DHAERO CCOc1ccc([C@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000019429888 182123083 /nfs/dbraw/zinc/12/30/83/182123083.db2.gz JATIWZODNKWFMO-OAHLLOKOSA-N 1 0 306.203 3.896 10 0 DHAERO CCOc1ccccc1[C@H]([NH3+])c1ccc(Br)cc1 ZINC000019510943 182126533 /nfs/dbraw/zinc/12/65/33/182126533.db2.gz ZJDVPUNTNVRUNW-OAHLLOKOSA-N 1 0 306.203 3.896 10 0 DHAERO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCc2ccccc21 ZINC000019510547 182126884 /nfs/dbraw/zinc/12/68/84/182126884.db2.gz KWQYCHFDHZCYGO-MRXNPFEDSA-N 1 0 317.230 3.512 10 0 DHAERO [NH3+]C[C@H](Oc1ccccc1Br)c1ccc(F)cc1 ZINC000019671428 182135050 /nfs/dbraw/zinc/13/50/50/182135050.db2.gz DHKNUSOENCFQHO-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO COCCc1ccc([C@@H]([NH3+])c2cccc(Br)c2)cc1 ZINC000019970933 182171703 /nfs/dbraw/zinc/17/17/03/182171703.db2.gz NLVWUZCGCMORAE-MRXNPFEDSA-N 1 0 320.230 3.686 10 0 DHAERO Cc1nc2c(cc(OCCCC(N)=[NH2+])c3ccsc32)s1 ZINC000019997085 182175568 /nfs/dbraw/zinc/17/55/68/182175568.db2.gz UJFOQPWBECXYKH-UHFFFAOYSA-N 1 0 305.428 3.914 10 0 DHAERO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1)N(C)C ZINC000020145578 182192578 /nfs/dbraw/zinc/19/25/78/182192578.db2.gz XTNUTBTVBBQHEQ-WFASDCNBSA-N 1 0 313.283 3.686 10 0 DHAERO Cc1ccc(OCc2cccc(C(N)=[NH2+])c2)c(Br)c1 ZINC000020077929 182185142 /nfs/dbraw/zinc/18/51/42/182185142.db2.gz QABVDPAPLVHOGD-UHFFFAOYSA-N 1 0 319.202 3.621 10 0 DHAERO CCc1ccc(-n2cc(C[NH3+])c(-c3ccc(OC)cc3)n2)cc1 ZINC000020390802 182213773 /nfs/dbraw/zinc/21/37/73/182213773.db2.gz PKXKJJFYZYSFTH-UHFFFAOYSA-N 1 0 307.397 3.569 10 0 DHAERO Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)c3cccs3)c(C)n2n1 ZINC000020549301 182230190 /nfs/dbraw/zinc/23/01/90/182230190.db2.gz MUWPZDVECLIPHX-VXGBXAGGSA-N 1 0 300.431 3.819 10 0 DHAERO COc1ccc(Br)cc1[C@H]([NH3+])Cc1ccc(F)cc1 ZINC000020586786 182235740 /nfs/dbraw/zinc/23/57/40/182235740.db2.gz ZMWIQHUPPOOTPY-CQSZACIVSA-N 1 0 324.193 3.839 10 0 DHAERO Cc1ccc(CCC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c(C)c1 ZINC000022696453 182331358 /nfs/dbraw/zinc/33/13/58/182331358.db2.gz BWQIWSUGRREKPK-HXUWFJFHSA-N 1 0 324.468 3.655 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(CCc1ccccc1)Cc1cccnc1 ZINC000022931681 182341967 /nfs/dbraw/zinc/34/19/67/182341967.db2.gz DKCFFWUNXANVHT-OAQYLSRUSA-N 1 0 323.484 3.611 10 0 DHAERO CC[NH2+]Cc1cc(Br)c(OC(C)C)c(OCC)c1 ZINC000036824759 182846072 /nfs/dbraw/zinc/84/60/72/182846072.db2.gz YAIZSINAPQFALL-UHFFFAOYSA-N 1 0 316.239 3.745 10 0 DHAERO CCC[NH2+]Cc1ccc(Br)cc1N1CCC[C@H]1C ZINC000037911795 182936749 /nfs/dbraw/zinc/93/67/49/182936749.db2.gz SWNKYEHSPLUFNP-GFCCVEGCSA-N 1 0 311.267 3.937 10 0 DHAERO CCCc1nc2cc(C(F)(F)F)ccc2n1CCC[NH+](C)C ZINC000040403991 183062073 /nfs/dbraw/zinc/06/20/73/183062073.db2.gz NONYLZZYOLPJRB-UHFFFAOYSA-N 1 0 313.367 3.959 10 0 DHAERO CC(C)c1nc2ccc(Cl)cc2n1CCC[NH+]1CCOCC1 ZINC000040405975 183062492 /nfs/dbraw/zinc/06/24/92/183062492.db2.gz UHXZWRYVHSSVTP-UHFFFAOYSA-N 1 0 321.852 3.535 10 0 DHAERO COc1ccc(C[C@H](C[NH3+])Cc2cccc(Cl)c2)cc1F ZINC000041540893 183200699 /nfs/dbraw/zinc/20/06/99/183200699.db2.gz AEZWMDABHQVJBD-CQSZACIVSA-N 1 0 307.796 3.848 10 0 DHAERO CCN(Cc1cccs1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042317247 183253081 /nfs/dbraw/zinc/25/30/81/183253081.db2.gz QABXKCNPZBIVKT-NSHDSACASA-N 1 0 300.880 3.985 10 0 DHAERO CCCCN([C@H](C[NH3+])c1ccc(Br)s1)C1CC1 ZINC000042317759 183253121 /nfs/dbraw/zinc/25/31/21/183253121.db2.gz MORCWWKWKFVAMC-LLVKDONJSA-N 1 0 317.296 3.775 10 0 DHAERO CCCO[C@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000042424666 183268759 /nfs/dbraw/zinc/26/87/59/183268759.db2.gz XIABZIMQCLMRHM-AWEZNQCLSA-N 1 0 312.251 3.840 10 0 DHAERO CC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](C)C(N)=S ZINC000042444519 183271118 /nfs/dbraw/zinc/27/11/18/183271118.db2.gz HXCOABAZALVBEA-SECBINFHSA-N 1 0 305.274 3.738 10 0 DHAERO CC(C)C[N@H+]([C@@H](CN)c1ccc(Br)cc1)C1CC1 ZINC000042555915 183284718 /nfs/dbraw/zinc/28/47/18/183284718.db2.gz MCKZAHZXPGESAM-HNNXBMFYSA-N 1 0 311.267 3.569 10 0 DHAERO CC(C)[N@H+](CC1CC1)[C@@H](CN)c1cccc(Br)c1 ZINC000042580334 183286384 /nfs/dbraw/zinc/28/63/84/183286384.db2.gz ZUUABJADFDQRNU-HNNXBMFYSA-N 1 0 311.267 3.569 10 0 DHAERO CC(C)C[N@H+](CC(=O)c1ccccc1Br)C(C)C ZINC000042587882 183288041 /nfs/dbraw/zinc/28/80/41/183288041.db2.gz XGXKVIUUAGITED-UHFFFAOYSA-N 1 0 312.251 3.998 10 0 DHAERO C[C@H]([NH3+])[C@H](Oc1ccccc1)c1ccc(Br)cc1 ZINC000042956832 183322823 /nfs/dbraw/zinc/32/28/23/183322823.db2.gz ILVZYMRMQCINBL-NHYWBVRUSA-N 1 0 306.203 3.916 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1nc(C)cc1C ZINC000042955891 183323040 /nfs/dbraw/zinc/32/30/40/183323040.db2.gz RTGHLEQLNVTWCS-HUUCEWRRSA-N 1 0 322.250 3.589 10 0 DHAERO [NH3+]C[C@H](Oc1ccc(Br)cc1)c1cccc(F)c1 ZINC000042973464 183325353 /nfs/dbraw/zinc/32/53/53/183325353.db2.gz SOBRQADQGIQARO-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO CC[C@@H](N)[C@H](c1cccc(Br)c1)[N@H+](C)CC(C)C ZINC000043020381 183328420 /nfs/dbraw/zinc/32/84/20/183328420.db2.gz MPOBURSQCXAMBL-CABCVRRESA-N 1 0 313.283 3.815 10 0 DHAERO CC[C@@H](N)[C@H](c1cccc(Br)c1)[N@H+](CC)C(C)C ZINC000043020327 183328836 /nfs/dbraw/zinc/32/88/36/183328836.db2.gz BARSZRFBCOGEMA-CABCVRRESA-N 1 0 313.283 3.958 10 0 DHAERO CCC(CC)[N@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020645 183329562 /nfs/dbraw/zinc/32/95/62/183329562.db2.gz JATYNYXXERTEKI-IAQYHMDHSA-N 1 0 313.283 3.958 10 0 DHAERO [NH3+]C[C@H](Oc1ccccc1F)c1cccc(Br)c1 ZINC000043022516 183330575 /nfs/dbraw/zinc/33/05/75/183330575.db2.gz CEZXMINPQAEYQP-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1)c1cccc(Br)c1 ZINC000043022651 183330675 /nfs/dbraw/zinc/33/06/75/183330675.db2.gz KJRIZKUYNJXKLE-XHDPSFHLSA-N 1 0 306.203 3.916 10 0 DHAERO COc1ccc(O[C@@H](C[NH3+])c2ccccc2Br)cc1 ZINC000043094445 183336994 /nfs/dbraw/zinc/33/69/94/183336994.db2.gz HVIBTDYACIBVCY-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CC(C)C ZINC000043091333 183335684 /nfs/dbraw/zinc/33/56/84/183335684.db2.gz YVSQSJVYLFFSKW-LSDHHAIUSA-N 1 0 313.283 3.815 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)C1CCCC1 ZINC000043091265 183335712 /nfs/dbraw/zinc/33/57/12/183335712.db2.gz NWQPBUXFCIDTLM-IAQYHMDHSA-N 1 0 311.267 3.712 10 0 DHAERO CCCN(CCC)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043090609 183335853 /nfs/dbraw/zinc/33/58/53/183335853.db2.gz KWFQZZOCBBMPRK-IUODEOHRSA-N 1 0 313.283 3.959 10 0 DHAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)CC(C)C ZINC000043091342 183335894 /nfs/dbraw/zinc/33/58/94/183335894.db2.gz YVSQSJVYLFFSKW-CABCVRRESA-N 1 0 313.283 3.815 10 0 DHAERO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106182392 194188763 /nfs/dbraw/zinc/18/87/63/194188763.db2.gz NQZPVYSVFKBECN-ZDUSSCGKSA-N 1 0 305.372 3.635 10 0 DHAERO CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106427600 194211317 /nfs/dbraw/zinc/21/13/17/194211317.db2.gz XGLQSJMBAWMHOT-QGZVFWFLSA-N 1 0 314.454 3.520 10 0 DHAERO COc1ccc(CC[C@H]([NH3+])C(C)(C)C)cc1Br ZINC000049596786 183745927 /nfs/dbraw/zinc/74/59/27/183745927.db2.gz AEJHGSODVFNOAI-ZDUSSCGKSA-N 1 0 300.240 3.764 10 0 DHAERO CC[C@@H](CCOc1cccc(Br)c1)[C@@H](C)[NH2+]C ZINC000049597006 183745938 /nfs/dbraw/zinc/74/59/38/183745938.db2.gz RZZFSDZCJKCPSS-NEPJUHHUSA-N 1 0 300.240 3.852 10 0 DHAERO CCC[NH2+]CCC[C@H](C)Oc1ccc(Br)cc1 ZINC000052664280 183868235 /nfs/dbraw/zinc/86/82/35/183868235.db2.gz WTBANYGLLDAJFD-LBPRGKRZSA-N 1 0 300.240 3.996 10 0 DHAERO CCC[NH2+][C@@H](CCOC)Cc1ccc(Br)cc1F ZINC000053833033 183914001 /nfs/dbraw/zinc/91/40/01/183914001.db2.gz XFSPNSLNWXKUJZ-ZDUSSCGKSA-N 1 0 318.230 3.535 10 0 DHAERO Cc1ccccc1N[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000057634078 184043152 /nfs/dbraw/zinc/04/31/52/184043152.db2.gz NRAKAYOQPDDKJM-HNNXBMFYSA-N 1 0 305.219 3.869 10 0 DHAERO Oc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1Br ZINC000059514608 184139728 /nfs/dbraw/zinc/13/97/28/184139728.db2.gz UAQYWKPOGNEOPB-HNNXBMFYSA-N 1 0 318.214 3.932 10 0 DHAERO [NH3+][C@@H](Cc1cccs1)Cc1cc(Br)ccc1F ZINC000060706541 184154464 /nfs/dbraw/zinc/15/44/64/184154464.db2.gz DKWLCLDWLBZICF-LLVKDONJSA-N 1 0 314.223 3.762 10 0 DHAERO CC[NH2+]C[C@H](C)c1nc2cc(Br)ccc2n1CC ZINC000061219264 184166316 /nfs/dbraw/zinc/16/63/16/184166316.db2.gz CSRGDGCUVBYQRT-JTQLQIEISA-N 1 0 310.239 3.532 10 0 DHAERO CC1(C)CCN([C@@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000061818443 184188487 /nfs/dbraw/zinc/18/84/87/184188487.db2.gz CVBACZUMGXVERO-AWEZNQCLSA-N 1 0 311.267 3.571 10 0 DHAERO [NH3+][C@H](c1ccc(Br)s1)c1cc(F)c(F)c(F)c1 ZINC000063006412 184266111 /nfs/dbraw/zinc/26/61/11/184266111.db2.gz ZHTVQGBPOAXUBP-NSHDSACASA-N 1 0 322.149 3.976 10 0 DHAERO O[C@H](C[NH2+]CCC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000063100347 184270469 /nfs/dbraw/zinc/27/04/69/184270469.db2.gz CCJILZDERKRUSL-SNVBAGLBSA-N 1 0 302.123 3.569 10 0 DHAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000120436963 195166752 /nfs/dbraw/zinc/16/67/52/195166752.db2.gz WITAWUZQEZWDNE-SFTDATJTSA-N 1 0 324.468 3.965 10 0 DHAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC000238855281 257260127 /nfs/dbraw/zinc/26/01/27/257260127.db2.gz RFSKETHKTZEBGO-VYDXJSESSA-N 1 0 318.461 3.668 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000037817076 331587268 /nfs/dbraw/zinc/58/72/68/331587268.db2.gz SHKWQCFMXICINS-CQSZACIVSA-N 1 0 317.260 3.858 10 0 DHAERO CC[C@H](NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)c1cccs1 ZINC000130345529 332024238 /nfs/dbraw/zinc/02/42/38/332024238.db2.gz NKZMLSJHCKHWGZ-INWMFGNUSA-N 1 0 302.443 3.652 10 0 DHAERO C[NH2+]C[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000092136221 332112194 /nfs/dbraw/zinc/11/21/94/332112194.db2.gz HQYGBQVNRGETBA-ZDUSSCGKSA-N 1 0 300.427 3.632 10 0 DHAERO CC(C)CCOc1ccc(C[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000102888262 332944536 /nfs/dbraw/zinc/94/45/36/332944536.db2.gz RNRRKNKITNXPBP-HXUWFJFHSA-N 1 0 313.441 3.935 10 0 DHAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000151626984 332209380 /nfs/dbraw/zinc/20/93/80/332209380.db2.gz CBZZLGHBSCLGEE-NXHRZFHOSA-N 1 0 314.473 3.751 10 0 DHAERO C[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccc(F)c(F)c1 ZINC000102687729 332226832 /nfs/dbraw/zinc/22/68/32/332226832.db2.gz JWWYQKILPUPABV-CYBMUJFWSA-N 1 0 322.399 3.622 10 0 DHAERO CC[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000049529072 332315168 /nfs/dbraw/zinc/31/51/68/332315168.db2.gz GPSRFHNVDLQMKG-DOMZBBRYSA-N 1 0 323.483 3.954 10 0 DHAERO CC(C)N(Cc1cccc(Cl)c1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261794180 332371346 /nfs/dbraw/zinc/37/13/46/332371346.db2.gz YCZNJKJIHKVSAS-MRXNPFEDSA-N 1 0 308.853 3.609 10 0 DHAERO C[C@@H]([NH2+]CCOc1cc(Cl)cc(Cl)c1)[C@@H]1CCCO1 ZINC000053588901 332983669 /nfs/dbraw/zinc/98/36/69/332983669.db2.gz HKYPLMXGKQEQQZ-YGRLFVJLSA-N 1 0 304.217 3.529 10 0 DHAERO Cc1ccccc1[C@H]([NH2+]CCSCCCO)c1ccccc1 ZINC000180479711 333028166 /nfs/dbraw/zinc/02/81/66/333028166.db2.gz NBJGZPGYTRPUBE-LJQANCHMSA-N 1 0 315.482 3.790 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1)CC2 ZINC000171981325 333056776 /nfs/dbraw/zinc/05/67/76/333056776.db2.gz CMMSWGLJQCQJBH-IUODEOHRSA-N 1 0 318.852 3.721 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)CC2 ZINC000171981345 333056853 /nfs/dbraw/zinc/05/68/53/333056853.db2.gz RXCKCRHSUNLHNW-DOMZBBRYSA-N 1 0 318.852 3.721 10 0 DHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cccc(Br)c1 ZINC000390662859 333312473 /nfs/dbraw/zinc/31/24/73/333312473.db2.gz SRPMXQFEPQCUSI-JIMOISOXSA-N 1 0 300.265 3.994 10 0 DHAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000388587226 333358919 /nfs/dbraw/zinc/35/89/19/333358919.db2.gz XTWKFKYVTYLTSY-DAXOMENPSA-N 1 0 324.262 3.577 10 0 DHAERO Cc1cnn(CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000123841828 333475132 /nfs/dbraw/zinc/47/51/32/333475132.db2.gz KTXRVIOPVZEJRK-CQSZACIVSA-N 1 0 307.850 3.672 10 0 DHAERO CC[C@@](O)(C[NH2+]C1CCCC1)c1ccc(Br)cc1 ZINC000055062454 334923638 /nfs/dbraw/zinc/92/36/38/334923638.db2.gz UUIRFAKUXLVXJO-OAHLLOKOSA-N 1 0 312.251 3.579 10 0 DHAERO COC(=O)C1CCC([NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000192447590 336033064 /nfs/dbraw/zinc/03/30/64/336033064.db2.gz PNNULFMTRFWDSX-YMEAELAKSA-N 1 0 301.430 3.550 10 0 DHAERO CC(C)(C[C@H]1CCC[N@@H+]([C@H]2CCOC3(CCC3)C2)C1)C(N)=O ZINC000333288494 336201152 /nfs/dbraw/zinc/20/11/52/336201152.db2.gz ZOJWVRZYTUHUOP-CABCVRRESA-N 1 0 308.466 3.752 10 0 DHAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000324424925 336216058 /nfs/dbraw/zinc/21/60/58/336216058.db2.gz OKKCXDPWKIBUNG-LBPRGKRZSA-N 1 0 320.658 3.599 10 0 DHAERO CC(C)(C)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000104971577 336273014 /nfs/dbraw/zinc/27/30/14/336273014.db2.gz GPZWMDAXOPMJQC-KRWDZBQOSA-N 1 0 315.461 3.686 10 0 DHAERO C[C@H](Nc1ccc(-c2ccc(F)cc2)nn1)C(C)(C)C[NH+](C)C ZINC000301537984 336313178 /nfs/dbraw/zinc/31/31/78/336313178.db2.gz BFCWLOQFCVUYLZ-ZDUSSCGKSA-N 1 0 316.424 3.671 10 0 DHAERO Cc1cccc2c(N3CC[C@@H](Oc4ccncc4)C3)cc[nH+]c12 ZINC000301666771 336321986 /nfs/dbraw/zinc/32/19/86/336321986.db2.gz LYLMDHKIHQNBLA-MRXNPFEDSA-N 1 0 305.381 3.596 10 0 DHAERO CCCc1nnc(NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000301672851 336322467 /nfs/dbraw/zinc/32/24/67/336322467.db2.gz OYDSJHUGXXLWFC-LBPRGKRZSA-N 1 0 322.503 3.801 10 0 DHAERO Cc1cc(N(CCO)Cc2ccsc2)c2cc(F)ccc2[nH+]1 ZINC000301819939 336332199 /nfs/dbraw/zinc/33/21/99/336332199.db2.gz AUDSFBMZWRCPBN-UHFFFAOYSA-N 1 0 316.401 3.743 10 0 DHAERO CCc1c(C)[nH+]c2ccccc2c1NCC1(O)CCSCC1 ZINC000302080344 336347565 /nfs/dbraw/zinc/34/75/65/336347565.db2.gz ZZENVQACCAEZPC-UHFFFAOYSA-N 1 0 316.470 3.776 10 0 DHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C)c1 ZINC000122769753 337023599 /nfs/dbraw/zinc/02/35/99/337023599.db2.gz LFPHWSPRXKEJAI-KRWDZBQOSA-N 1 0 301.409 3.822 10 0 DHAERO CCCOc1cccc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000123064671 337034980 /nfs/dbraw/zinc/03/49/80/337034980.db2.gz OUTGXFLZZSEFLU-SFHVURJKSA-N 1 0 313.445 3.817 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnc(C2CCCC2)s1 ZINC000123384363 337045466 /nfs/dbraw/zinc/04/54/66/337045466.db2.gz SVPMEPSSKMADPI-OAHLLOKOSA-N 1 0 307.507 3.717 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(-c2cccnc2)c1 ZINC000123399224 337045582 /nfs/dbraw/zinc/04/55/82/337045582.db2.gz KDLIYVCTOLTTGY-FQEVSTJZSA-N 1 0 309.457 3.665 10 0 DHAERO C[C@H]([NH2+]Cc1ccc2ccccc2n1)[C@@H]1COc2ccccc21 ZINC000169107524 337080740 /nfs/dbraw/zinc/08/07/40/337080740.db2.gz XMLBXIHQMWACCS-KSSFIOAISA-N 1 0 304.393 3.889 10 0 DHAERO c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000174848640 337144968 /nfs/dbraw/zinc/14/49/68/337144968.db2.gz RIQHKDAUZFETMC-HKUYNNGSSA-N 1 0 322.456 3.503 10 0 DHAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2nc(C(F)F)nc3ccccc32)C1 ZINC000176798206 337153157 /nfs/dbraw/zinc/15/31/57/337153157.db2.gz CZGQVJZXQKKXGR-RISCZKNCSA-N 1 0 320.387 3.708 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000178034485 337160029 /nfs/dbraw/zinc/16/00/29/337160029.db2.gz KHHURBQCKPELKW-IAGOWNOFSA-N 1 0 316.832 3.673 10 0 DHAERO C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)O1 ZINC000178173914 337161101 /nfs/dbraw/zinc/16/11/01/337161101.db2.gz IMUBVVBSDHJPQF-QAPCUYQASA-N 1 0 316.445 3.569 10 0 DHAERO Cc1cc(C[NH+]2CCC(c3ccnn3C)CC2)ccc1Cl ZINC000180427425 337174385 /nfs/dbraw/zinc/17/43/85/337174385.db2.gz FFNMYHFOLJEOJO-UHFFFAOYSA-N 1 0 303.837 3.762 10 0 DHAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccccc1)C(C)C)CC2 ZINC000180169674 337175119 /nfs/dbraw/zinc/17/51/19/337175119.db2.gz HYCXGXTXRDNNQV-FUHWJXTLSA-N 1 0 312.461 3.703 10 0 DHAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nc(C(C)C)nn3C1)CCC2 ZINC000180643930 337176959 /nfs/dbraw/zinc/17/69/59/337176959.db2.gz AULUASQYBZGTOX-WMZOPIPTSA-N 1 0 324.472 3.692 10 0 DHAERO Cc1cccc([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c1C ZINC000180653157 337176996 /nfs/dbraw/zinc/17/69/96/337176996.db2.gz SCHXITCRILUXRI-CVEARBPZSA-N 1 0 312.461 3.684 10 0 DHAERO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000181937080 337185449 /nfs/dbraw/zinc/18/54/49/337185449.db2.gz NZBOCKMUNKRYTF-KGLIPLIRSA-N 1 0 324.428 3.561 10 0 DHAERO Cc1oc2ccccc2c1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000184954706 337201958 /nfs/dbraw/zinc/20/19/58/337201958.db2.gz PDQPQVPWCQPWPM-QGZVFWFLSA-N 1 0 322.408 3.774 10 0 DHAERO Cc1cc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c2ccccc2[nH+]1 ZINC000186149428 337253987 /nfs/dbraw/zinc/25/39/87/337253987.db2.gz JFFADKWYBCFRDO-RDJZCZTQSA-N 1 0 324.449 3.817 10 0 DHAERO CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2)C12CCOCC2 ZINC000186239284 337255019 /nfs/dbraw/zinc/25/50/19/337255019.db2.gz JUCLKPUHHIVSRZ-MSOLQXFVSA-N 1 0 317.473 3.528 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(C)s2)C12CCOCC2 ZINC000186347695 337256706 /nfs/dbraw/zinc/25/67/06/337256706.db2.gz GBAQKUMPOFADTQ-IAOVAPTHSA-N 1 0 323.502 3.551 10 0 DHAERO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000187042951 337261452 /nfs/dbraw/zinc/26/14/52/337261452.db2.gz KPSOYXPWZSLYTI-OLZOCXBDSA-N 1 0 322.815 3.544 10 0 DHAERO c1cn(C[C@H]2CCC[N@@H+]2Cc2cnc(C3CCCC3)s2)cn1 ZINC000188417463 337273209 /nfs/dbraw/zinc/27/32/09/337273209.db2.gz AXVYZFTXKTWXMP-OAHLLOKOSA-N 1 0 316.474 3.662 10 0 DHAERO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000191869684 337301789 /nfs/dbraw/zinc/30/17/89/337301789.db2.gz UFIQZGQHONJXLQ-OAHLLOKOSA-N 1 0 323.362 3.955 10 0 DHAERO COc1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1F ZINC000192951515 337308651 /nfs/dbraw/zinc/30/86/51/337308651.db2.gz QXOIBCOLPQZFEU-OAHLLOKOSA-N 1 0 317.408 3.522 10 0 DHAERO C[NH+](C)[C@@]1(c2ccc(Br)cc2)CC[C@](C)(O)CC1 ZINC000584601446 337370897 /nfs/dbraw/zinc/37/08/97/337370897.db2.gz PUHKNROHCCPCSV-SHTZXODSSA-N 1 0 312.251 3.531 10 0 DHAERO C[C@@H](N[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000584614400 337372610 /nfs/dbraw/zinc/37/26/10/337372610.db2.gz HOBKROOOALTDOO-OBMJPTGESA-N 1 0 324.472 3.789 10 0 DHAERO CC(C)[C@@](CC[NH+](C)C)(CC(N)=O)c1cccc2ccccc21 ZINC000584620339 337372771 /nfs/dbraw/zinc/37/27/71/337372771.db2.gz BVPAPMZQUMBVDJ-HXUWFJFHSA-N 1 0 312.457 3.561 10 0 DHAERO CC(C)[NH+](CC[C@@](O)(c1ccccc1)c1ccccn1)C(C)C ZINC000584629563 337376598 /nfs/dbraw/zinc/37/65/98/337376598.db2.gz ZCCAQWJKXWKEAD-HXUWFJFHSA-N 1 0 312.457 3.826 10 0 DHAERO CC[NH+](CC)C[C@H]1CCc2cc(C)cc(Br)c2N1 ZINC000584629900 337376602 /nfs/dbraw/zinc/37/66/02/337376602.db2.gz AJWQLWCPBCBHOS-CYBMUJFWSA-N 1 0 311.267 3.826 10 0 DHAERO Clc1ccc(CC[NH2+]C[C@H]2CCc3ccccc3N2)cc1 ZINC000584629921 337376606 /nfs/dbraw/zinc/37/66/06/337376606.db2.gz ASDKOBUJAMAVCB-QGZVFWFLSA-N 1 0 300.833 3.899 10 0 DHAERO CC(C)[NH+](CC[C@](O)(c1ccccc1)c1ccccn1)C(C)C ZINC000584629561 337376626 /nfs/dbraw/zinc/37/66/26/337376626.db2.gz ZCCAQWJKXWKEAD-FQEVSTJZSA-N 1 0 312.457 3.826 10 0 DHAERO FC(F)(F)c1ccc(Nc2ccc([C@@H]3C[NH2+]CCO3)nc2)cc1 ZINC000584633335 337377494 /nfs/dbraw/zinc/37/74/94/337377494.db2.gz CWRDKDSHVOKMNB-HNNXBMFYSA-N 1 0 323.318 3.505 10 0 DHAERO CCn1nc(C)c2c1CC[NH2+][C@@H]2Cc1ccc2ccccc2c1 ZINC000584656533 337377987 /nfs/dbraw/zinc/37/79/87/337377987.db2.gz MOWJPDFPSOYJDS-GOSISDBHSA-N 1 0 305.425 3.794 10 0 DHAERO Cc1ccc(NC(=S)NCCC[NH2+]C2CCCCC2)cc1 ZINC000584650512 337380768 /nfs/dbraw/zinc/38/07/68/337380768.db2.gz PSFCZSZPWGOJJR-UHFFFAOYSA-N 1 0 305.491 3.594 10 0 DHAERO Cn1cc(C[NH2+]C[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cn1 ZINC000123702373 337400735 /nfs/dbraw/zinc/40/07/35/337400735.db2.gz VIOVNBBRDYIKFM-FZMZJTMJSA-N 1 0 310.228 3.620 10 0 DHAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000247042610 337557273 /nfs/dbraw/zinc/55/72/73/337557273.db2.gz MUPSGVDHNVRHCX-TYNCELHUSA-N 1 0 317.458 3.732 10 0 DHAERO Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261645712 337607188 /nfs/dbraw/zinc/60/71/88/337607188.db2.gz DBAPYMYZUVIEMU-QRVBRYPASA-N 1 0 314.473 3.814 10 0 DHAERO OC1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CCCC1 ZINC000087015710 337609683 /nfs/dbraw/zinc/60/96/83/337609683.db2.gz SBFVVVNVTKECRF-UHFFFAOYSA-N 1 0 324.262 3.590 10 0 DHAERO CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261750709 337609710 /nfs/dbraw/zinc/60/97/10/337609710.db2.gz FDQKIWIHJFKHED-IRXDYDNUSA-N 1 0 308.510 3.815 10 0 DHAERO CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261785000 337610502 /nfs/dbraw/zinc/61/05/02/337610502.db2.gz HTRDOABVNYEEQP-CRAIPNDOSA-N 1 0 316.489 3.889 10 0 DHAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261873386 337612024 /nfs/dbraw/zinc/61/20/24/337612024.db2.gz DLICLXOYCGTTHD-KCUHQSDYSA-N 1 0 316.489 3.618 10 0 DHAERO CCC[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000261992291 337613919 /nfs/dbraw/zinc/61/39/19/337613919.db2.gz MJLGFCULWSKBMK-NXEZZACHSA-N 1 0 303.233 3.559 10 0 DHAERO C[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc2ccccc2c1 ZINC000262121008 337615209 /nfs/dbraw/zinc/61/52/09/337615209.db2.gz WFWVVNJRVXTUSZ-KBXCAEBGSA-N 1 0 310.441 3.529 10 0 DHAERO C[C@@H](C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1)C1C[NH2+]C1 ZINC000262265343 337616248 /nfs/dbraw/zinc/61/62/48/337616248.db2.gz UXWAKMOQLMLDSN-CYBMUJFWSA-N 1 0 320.392 3.894 10 0 DHAERO C[C@H](C(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000262500639 337618681 /nfs/dbraw/zinc/61/86/81/337618681.db2.gz IRZGGASZNPRFBC-BLLLJJGKSA-N 1 0 322.880 3.789 10 0 DHAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC3(CCCC3)c3c2cccc3F)C1 ZINC000262615560 337619882 /nfs/dbraw/zinc/61/98/82/337619882.db2.gz LNEDEFNJWYYUIG-UONOGXRCSA-N 1 0 316.420 3.502 10 0 DHAERO O=C(CCC1CC[NH2+]CC1)NCc1ccc(-c2ccccc2)cc1 ZINC000262729586 337620860 /nfs/dbraw/zinc/62/08/60/337620860.db2.gz BJTHLFPKBLCICL-UHFFFAOYSA-N 1 0 322.452 3.750 10 0 DHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)c2ccccc21 ZINC000089732964 337873178 /nfs/dbraw/zinc/87/31/78/337873178.db2.gz RPQYBAGQCXGUKN-MDZRGWNJSA-N 1 0 322.456 3.674 10 0 DHAERO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)cc1 ZINC000120387271 337874860 /nfs/dbraw/zinc/87/48/60/337874860.db2.gz YTLNABPMODKDJW-LBPRGKRZSA-N 1 0 318.804 3.638 10 0 DHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(OC(F)F)cc1OC(F)F ZINC000120528322 337876245 /nfs/dbraw/zinc/87/62/45/337876245.db2.gz SRNFPTUUSOIFDI-VHSKPIJISA-N 1 0 307.287 3.948 10 0 DHAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cccc(Br)c1 ZINC000085968325 338012790 /nfs/dbraw/zinc/01/27/90/338012790.db2.gz LTCYMFQNGUGHGR-WHOFXGATSA-N 1 0 312.251 3.651 10 0 DHAERO CC1(C)[C@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)[C@@H]2CCO[C@@H]21 ZINC000161980330 338399288 /nfs/dbraw/zinc/39/92/88/338399288.db2.gz XLNWAVLUGHDCTL-DIECFANBSA-N 1 0 319.420 3.831 10 0 DHAERO C[C@H]([NH2+]CCc1cccs1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400465586 340147360 /nfs/dbraw/zinc/14/73/60/340147360.db2.gz SVEVBDBXCRYXNY-UONOGXRCSA-N 1 0 324.490 3.526 10 0 DHAERO CC[NH+](CC)CCCNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000173310884 340362117 /nfs/dbraw/zinc/36/21/17/340362117.db2.gz HNHPKBZANCTVEU-MRXNPFEDSA-N 1 0 321.465 3.557 10 0 DHAERO [NH3+]CCC[C@H](Nc1ccncc1Br)c1ccccc1 ZINC000312121406 340451695 /nfs/dbraw/zinc/45/16/95/340451695.db2.gz VKUCTBUAABUFLH-AWEZNQCLSA-N 1 0 320.234 3.736 10 0 DHAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000037166691 340768590 /nfs/dbraw/zinc/76/85/90/340768590.db2.gz CDYPMKIHXOWMJV-OAHLLOKOSA-N 1 0 302.384 3.771 10 0 DHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)c(OC)s1 ZINC000125253622 340803192 /nfs/dbraw/zinc/80/31/92/340803192.db2.gz XDLKQCHVKWSPJG-LDYMZIIASA-N 1 0 304.253 3.797 10 0 DHAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066391554 340845957 /nfs/dbraw/zinc/84/59/57/340845957.db2.gz KBJXFJYXJCYJSI-SDDRHHMPSA-N 1 0 314.832 3.823 10 0 DHAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000132219786 341118741 /nfs/dbraw/zinc/11/87/41/341118741.db2.gz GFYUMDPBSCQIAM-SJLPKXTDSA-N 1 0 318.436 3.584 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000133034175 341152388 /nfs/dbraw/zinc/15/23/88/341152388.db2.gz LDLFFURGAFXKAU-ILXRZTDVSA-N 1 0 317.502 3.862 10 0 DHAERO CC[N@@H+]1CC[C@H](Nc2ccc(-n3ccnc3)c(Cl)c2)[C@@H](C)C1 ZINC000245608956 341305125 /nfs/dbraw/zinc/30/51/25/341305125.db2.gz UJVBSBFQLXGAGS-BBRMVZONSA-N 1 0 318.852 3.668 10 0 DHAERO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000246789180 341357001 /nfs/dbraw/zinc/35/70/01/341357001.db2.gz SERPUABFDQWOCI-BZUAXINKSA-N 1 0 311.347 3.922 10 0 DHAERO CC[C@H](C)[C@@H](C)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000247479015 341365627 /nfs/dbraw/zinc/36/56/27/341365627.db2.gz UHABKRHPXOOLEC-RRFJBIMHSA-N 1 0 314.433 3.667 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc2ccccc21 ZINC000247707303 341369462 /nfs/dbraw/zinc/36/94/62/341369462.db2.gz ZFWRYYUWDBUQJX-SJORKVTESA-N 1 0 323.440 3.930 10 0 DHAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248386656 341376112 /nfs/dbraw/zinc/37/61/12/341376112.db2.gz NISNIRQBZXGJSJ-CRAIPNDOSA-N 1 0 320.452 3.528 10 0 DHAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248624859 341381948 /nfs/dbraw/zinc/38/19/48/341381948.db2.gz YSFMATQWKWDWHH-TWMKSMIVSA-N 1 0 306.494 3.534 10 0 DHAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000248659429 341383550 /nfs/dbraw/zinc/38/35/50/341383550.db2.gz VAZSRULJZTUICA-GDBMZVCRSA-N 1 0 305.418 3.603 10 0 DHAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000249095656 341393759 /nfs/dbraw/zinc/39/37/59/341393759.db2.gz OGMQFEJYQLNXAF-HDMKZQKVSA-N 1 0 321.486 3.733 10 0 DHAERO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000249893260 341401828 /nfs/dbraw/zinc/40/18/28/341401828.db2.gz FIVAEGIGCQSPRI-FZZIBODNSA-N 1 0 313.228 3.853 10 0 DHAERO Cc1sc2nc(C)nc(NC[C@@H]([NH3+])c3ccccc3)c2c1C ZINC000262561301 341524977 /nfs/dbraw/zinc/52/49/77/341524977.db2.gz VNIWTZMUIASIHP-CQSZACIVSA-N 1 0 312.442 3.728 10 0 DHAERO C[C@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)[C@@H](C[NH3+])C1 ZINC000262574314 341525327 /nfs/dbraw/zinc/52/53/27/341525327.db2.gz XYCUHTBMUSCJQF-BLLLJJGKSA-N 1 0 319.836 3.554 10 0 DHAERO Cc1cc(Cl)ccc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000158766655 341664306 /nfs/dbraw/zinc/66/43/06/341664306.db2.gz SHVMIQGBSPSICU-KRWDZBQOSA-N 1 0 316.832 3.681 10 0 DHAERO CC(C)(C)[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000246561362 518964124 /nfs/dbraw/zinc/96/41/24/518964124.db2.gz ULAVZCHLPSVLHI-AXAPSJFSSA-N 1 0 324.415 3.686 10 0 DHAERO CC(C)CNC(=O)c1cccc(C[NH2+][C@H](C)c2cccs2)c1 ZINC000182559665 519742220 /nfs/dbraw/zinc/74/22/20/519742220.db2.gz NMFAZSVVROCNBF-CQSZACIVSA-N 1 0 316.470 3.985 10 0 DHAERO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(F)(F)F)cc1 ZINC000189859167 519763488 /nfs/dbraw/zinc/76/34/88/519763488.db2.gz OSHOUTVBRFTFTA-OCCSQVGLSA-N 1 0 319.367 3.685 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc3c(c1)CCC3)CC2 ZINC000180515938 519897519 /nfs/dbraw/zinc/89/75/19/519897519.db2.gz YCJITTJBQZWDPN-KBXCAEBGSA-N 1 0 324.472 3.556 10 0 DHAERO CC(C)n1ccnc1C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180650185 520031021 /nfs/dbraw/zinc/03/10/21/520031021.db2.gz PQYDFAQKYNTAJZ-OAHLLOKOSA-N 1 0 309.417 3.501 10 0 DHAERO CCC[C@@H](C(=O)Nc1ccc(Oc2ccncc2)cc1)[NH+](C)C ZINC000161856490 520598403 /nfs/dbraw/zinc/59/84/03/520598403.db2.gz NVBJUHQZEIKCMP-KRWDZBQOSA-N 1 0 313.401 3.543 10 0 DHAERO CCC[C@@H](C(=O)Nc1cccc(Oc2ccncc2)c1)[NH+](C)C ZINC000162113178 520598856 /nfs/dbraw/zinc/59/88/56/520598856.db2.gz BRPBHLFUJICLHU-KRWDZBQOSA-N 1 0 313.401 3.543 10 0 DHAERO CCC(=O)N1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccccc2C)C1 ZINC000180777896 521153883 /nfs/dbraw/zinc/15/38/83/521153883.db2.gz VMJSIPNPVWBERK-GHTZIAJQSA-N 1 0 322.452 3.685 10 0 DHAERO CCCn1ccnc1CCC[N@H+](C)Cc1ccc2ccccc2n1 ZINC000191485079 521662715 /nfs/dbraw/zinc/66/27/15/521662715.db2.gz OBJHPEIUDNCYKX-UHFFFAOYSA-N 1 0 322.456 3.906 10 0 DHAERO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(C)o2)cc1 ZINC000124643144 521810960 /nfs/dbraw/zinc/81/09/60/521810960.db2.gz CCUJSKNODSPXQP-KRWDZBQOSA-N 1 0 312.413 3.675 10 0 DHAERO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(c2nncn2CC)CC1 ZINC000154950393 523092649 /nfs/dbraw/zinc/09/26/49/523092649.db2.gz DATOCEGYDFMZBH-KRWDZBQOSA-N 1 0 316.424 3.768 10 0 DHAERO Cc1cccc(C(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c2cccc(C)c2)c1 ZINC000237923499 524242384 /nfs/dbraw/zinc/24/23/84/524242384.db2.gz DRHWCIDQLCXDHM-RTBURBONSA-N 1 0 322.452 3.636 10 0 DHAERO Cc1cccc([C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C(C)(C)C)c1 ZINC000246521893 524883962 /nfs/dbraw/zinc/88/39/62/524883962.db2.gz RFBIEOHKTVRPPB-BBWFWOEESA-N 1 0 302.462 3.716 10 0 DHAERO C[C@H]([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)[C@H]1CCCO1 ZINC000183089281 525480005 /nfs/dbraw/zinc/48/00/05/525480005.db2.gz YYRIYUZBKUGMOG-XHDPSFHLSA-N 1 0 306.793 3.652 10 0 DHAERO C[C@@H](NCc1ccc2ccccc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102374 525530795 /nfs/dbraw/zinc/53/07/95/525530795.db2.gz AZRIEPPDEZLMEY-AEFFLSMTSA-N 1 0 323.484 3.977 10 0 DHAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)c1 ZINC000124656641 526267530 /nfs/dbraw/zinc/26/75/30/526267530.db2.gz WAONNJNWGFNYDC-SFHVURJKSA-N 1 0 306.413 3.577 10 0 DHAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000188227682 527187824 /nfs/dbraw/zinc/18/78/24/527187824.db2.gz NOKWZBKCDVPZOR-JENIJYKNSA-N 1 0 310.445 3.521 10 0 DHAERO Cn1cc(C[NH2+]C[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cn1 ZINC000123702733 527216488 /nfs/dbraw/zinc/21/64/88/527216488.db2.gz VIOVNBBRDYIKFM-SMDDNHRTSA-N 1 0 310.228 3.620 10 0 DHAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000157939546 527237009 /nfs/dbraw/zinc/23/70/09/527237009.db2.gz HNQQAUPIUPHENN-JDGDGYACSA-N 1 0 314.473 3.594 10 0 DHAERO Cn1cc([C@@H]2CC[N@H+](CCCSCc3ccccc3)C2)cn1 ZINC000132084340 527301549 /nfs/dbraw/zinc/30/15/49/527301549.db2.gz QNJIVDCPXXIRIK-QGZVFWFLSA-N 1 0 315.486 3.533 10 0 DHAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000154952663 527348898 /nfs/dbraw/zinc/34/88/98/527348898.db2.gz CVVCHSMGKVTLTJ-CZUORRHYSA-N 1 0 320.864 3.743 10 0 DHAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000238028170 527403216 /nfs/dbraw/zinc/40/32/16/527403216.db2.gz MUFJEULONXELSR-CABCVRRESA-N 1 0 310.397 3.935 10 0 DHAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc(CSC3CCCC3)c2)C1 ZINC000237882963 527412735 /nfs/dbraw/zinc/41/27/35/527412735.db2.gz FWXYHWWBNKKWCN-CABCVRRESA-N 1 0 318.486 3.928 10 0 DHAERO Cc1ccc(C)c([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675055671 563909903 /nfs/dbraw/zinc/90/99/03/563909903.db2.gz WEZVYCNLXYHQTN-HOCLYGCPSA-N 1 0 304.434 3.621 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@@]2(CC1)[NH2+]CCc1ccsc12 ZINC000712526703 563321998 /nfs/dbraw/zinc/32/19/98/563321998.db2.gz UFOMUHNLJKZQQR-KRWDZBQOSA-N 1 0 322.474 3.510 10 0 DHAERO CCC[C@H](C)C[C@@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000068591345 563494963 /nfs/dbraw/zinc/49/49/63/563494963.db2.gz JEWOSVLIBXFXHY-HOCLYGCPSA-N 1 0 312.498 3.953 10 0 DHAERO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000068592935 563494986 /nfs/dbraw/zinc/49/49/86/563494986.db2.gz RFSKETHKTZEBGO-INMHGKMJSA-N 1 0 318.461 3.668 10 0 DHAERO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000068593034 563495611 /nfs/dbraw/zinc/49/56/11/563495611.db2.gz WZVGIPUTVFCAAB-HLLBOEOZSA-N 1 0 318.461 3.810 10 0 DHAERO COc1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc(OC)c1 ZINC000092788687 1032509911 /nfs/dbraw/zinc/50/99/11/1032509911.db2.gz STVAURJXZATHGT-CQSZACIVSA-N 1 0 318.442 3.540 10 0 DHAERO CC(C)(C)OC(=O)n1cc(C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000095642085 185382964 /nfs/dbraw/zinc/38/29/64/185382964.db2.gz HBEJMKJVENIWPZ-CQSZACIVSA-N 1 0 300.402 3.719 10 0 DHAERO CCc1ccc(-c2nc(COC)c(C[NH2+]C3CC3)s2)cc1 ZINC000082446517 185183860 /nfs/dbraw/zinc/18/38/60/185183860.db2.gz MKQAUYWEZWEHGQ-UHFFFAOYSA-N 1 0 302.443 3.771 10 0 DHAERO CC(C)[NH2+]Cc1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000082661911 185191452 /nfs/dbraw/zinc/19/14/52/185191452.db2.gz YKHADUNOLNVVIY-UHFFFAOYSA-N 1 0 301.287 3.528 10 0 DHAERO CCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000082661971 185191535 /nfs/dbraw/zinc/19/15/35/185191535.db2.gz QFLKILINAXXQRS-UHFFFAOYSA-N 1 0 301.287 3.530 10 0 DHAERO Cc1cc(C[C@H](C)[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)[nH]n1 ZINC000090531733 185301198 /nfs/dbraw/zinc/30/11/98/185301198.db2.gz LCELWLMLIASSFC-KSSFIOAISA-N 1 0 313.445 3.769 10 0 DHAERO C[C@H]([NH3+])Cc1ccccc1OCc1cccc(Br)c1 ZINC000037724270 190665296 /nfs/dbraw/zinc/66/52/96/190665296.db2.gz MYYHCDIEOGNTAP-LBPRGKRZSA-N 1 0 320.230 3.918 10 0 DHAERO C[C@@H](C[NH2+]C(C)(C)C)Oc1ccc(F)cc1Br ZINC000052651584 190682907 /nfs/dbraw/zinc/68/29/07/190682907.db2.gz LKOHZYGDUIHHDI-VIFPVBQESA-N 1 0 304.203 3.744 10 0 DHAERO Cc1cc(Br)ccc1-n1ncc(C[NH3+])c1C(C)C ZINC000071663980 191000566 /nfs/dbraw/zinc/00/05/66/191000566.db2.gz BYMCVTAHBMCKPQ-UHFFFAOYSA-N 1 0 308.223 3.525 10 0 DHAERO CCCOc1ccc(C(=O)OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000001997806 180905180 /nfs/dbraw/zinc/90/51/80/180905180.db2.gz QSJRZMPYHHJWKX-MRXNPFEDSA-N 1 0 319.445 3.897 10 0 DHAERO CCCCCCOc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000003598554 181038455 /nfs/dbraw/zinc/03/84/55/181038455.db2.gz FLBPZBLFNHLBDE-UHFFFAOYSA-N 1 0 306.450 3.926 10 0 DHAERO CC[NH+](CC)[C@H]1CCN(C(=O)OCc2ccccc2)[C@H](C)C1 ZINC000073657280 191337754 /nfs/dbraw/zinc/33/77/54/191337754.db2.gz NBVXDOQTLVBPPB-WBVHZDCISA-N 1 0 304.434 3.518 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000236908573 202064470 /nfs/dbraw/zinc/06/44/70/202064470.db2.gz KJQHQGOSEOQSKO-OALUTQOASA-N 1 0 310.441 3.604 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)c1sccc1C ZINC000236999756 202116223 /nfs/dbraw/zinc/11/62/23/202116223.db2.gz XSJPWRPZWBYRPU-HZPDHXFCSA-N 1 0 316.470 3.584 10 0 DHAERO Cc1ccc2c(c1)C1(C[C@H]2[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000091302963 193035269 /nfs/dbraw/zinc/03/52/69/193035269.db2.gz UNGYUTDHXAELTG-MRXNPFEDSA-N 1 0 316.445 3.667 10 0 DHAERO Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000093612920 193273609 /nfs/dbraw/zinc/27/36/09/193273609.db2.gz WDTYKMWXLFXQEX-AWEZNQCLSA-N 1 0 318.490 3.688 10 0 DHAERO CN(Cc1ccccc1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000019264774 182111685 /nfs/dbraw/zinc/11/16/85/182111685.db2.gz AMWCGZLXINPZRH-INIZCTEOSA-N 1 0 319.246 3.581 10 0 DHAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000019233406 182110786 /nfs/dbraw/zinc/11/07/86/182110786.db2.gz MVKAYKUWHUBLHL-UPONEAKYSA-N 1 0 309.624 3.959 10 0 DHAERO COc1ccc([C@H]([NH3+])c2ccc(Br)cc2F)cc1 ZINC000019427964 182123132 /nfs/dbraw/zinc/12/31/32/182123132.db2.gz KYHYXKYIRKNDAM-AWEZNQCLSA-N 1 0 310.166 3.645 10 0 DHAERO COc1ccc([C@H]([NH3+])c2ccc(F)cc2Br)cc1 ZINC000019414196 182122192 /nfs/dbraw/zinc/12/21/92/182122192.db2.gz PLOYDNHRAOWBLP-AWEZNQCLSA-N 1 0 310.166 3.645 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2ccc(F)cc2Br)cc1 ZINC000019414194 182122378 /nfs/dbraw/zinc/12/23/78/182122378.db2.gz PLOYDNHRAOWBLP-CQSZACIVSA-N 1 0 310.166 3.645 10 0 DHAERO COc1ccc([C@@H]([NH3+])Cc2ccc(Br)cc2)cc1 ZINC000019441333 182123060 /nfs/dbraw/zinc/12/30/60/182123060.db2.gz HWEDCZGEFHWMEQ-HNNXBMFYSA-N 1 0 306.203 3.700 10 0 DHAERO CCOc1ccc([C@@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000019429886 182123088 /nfs/dbraw/zinc/12/30/88/182123088.db2.gz JATIWZODNKWFMO-HNNXBMFYSA-N 1 0 306.203 3.896 10 0 DHAERO Cc1ccc([C@@H]([NH3+])c2ccccc2I)cc1 ZINC000019504893 182126714 /nfs/dbraw/zinc/12/67/14/182126714.db2.gz JUSPCVGDXJFFJZ-CQSZACIVSA-N 1 0 323.177 3.648 10 0 DHAERO C[N@H+]([C@H](CN)c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000020081709 182185122 /nfs/dbraw/zinc/18/51/22/182185122.db2.gz QSLRZVKRLJJYQH-OAHLLOKOSA-N 1 0 300.368 3.970 10 0 DHAERO C[N@H+]([C@@H](CN)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000020081719 182185290 /nfs/dbraw/zinc/18/52/90/182185290.db2.gz BWTLOAGZEUDKQI-HNNXBMFYSA-N 1 0 300.368 3.970 10 0 DHAERO Cc1ccc(Oc2ccccc2C(N)=[NH2+])c(Br)c1 ZINC000020077916 182185367 /nfs/dbraw/zinc/18/53/67/182185367.db2.gz HHBNPXQVOGEVKC-UHFFFAOYSA-N 1 0 305.175 3.834 10 0 DHAERO C[C@H]([NH3+])[C@H](C)C(=O)N(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000192016001 335022396 /nfs/dbraw/zinc/02/23/96/335022396.db2.gz QLIJUNYNWCJBAN-KBPBESRZSA-N 1 0 316.832 3.857 10 0 DHAERO CCOc1c(Cl)cc(CNCC[NH+](CC)CC)cc1Cl ZINC000020477605 182221922 /nfs/dbraw/zinc/22/19/22/182221922.db2.gz XNMVEQCRLMSKHA-UHFFFAOYSA-N 1 0 319.276 3.824 10 0 DHAERO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000021508658 182276681 /nfs/dbraw/zinc/27/66/81/182276681.db2.gz KFWXNCLWSZXLOG-CYBMUJFWSA-N 1 0 309.196 3.502 10 0 DHAERO C[C@H](Cc1ccccc1)N1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000022042565 182306472 /nfs/dbraw/zinc/30/64/72/182306472.db2.gz VIYHGODXJCNFCQ-WOJBJXKFSA-N 1 0 322.496 3.866 10 0 investigational DHAERO CC[N@@H+]1CCC[C@H]1CN(CCc1ccccc1)Cc1cccnc1 ZINC000022931684 182342807 /nfs/dbraw/zinc/34/28/07/182342807.db2.gz DKCFFWUNXANVHT-NRFANRHFSA-N 1 0 323.484 3.611 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)CC1CCCC1 ZINC000023247743 182354323 /nfs/dbraw/zinc/35/43/23/182354323.db2.gz XBSBDOZFXFDZRW-LJQANCHMSA-N 1 0 301.478 3.558 10 0 DHAERO CC(C)CNC(=O)c1ccc([C@@H]2CCC[N@@H+]2CC(C)C)s1 ZINC000023506949 182361989 /nfs/dbraw/zinc/36/19/89/182361989.db2.gz NLUGFMMFXXKKMG-AWEZNQCLSA-N 1 0 308.491 3.927 10 0 DHAERO CCC[NH+](CCC)CCc1ccc(OC)c2[nH]c(=O)ccc12 ZINC000029481705 182567012 /nfs/dbraw/zinc/56/70/12/182567012.db2.gz JPACUELWLDZXPX-UHFFFAOYSA-N 1 0 302.418 3.614 10 0 DHAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1cc(Br)ccc1Br ZINC000037021768 182861858 /nfs/dbraw/zinc/86/18/58/182861858.db2.gz WKLLUROBLZILKX-ZYAQMDEOSA-N 1 0 319.040 3.867 10 0 DHAERO CC(C)CCC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000037984821 182954113 /nfs/dbraw/zinc/95/41/13/182954113.db2.gz HHDGHEKCERMRTI-CYBMUJFWSA-N 1 0 320.260 3.759 10 0 DHAERO Cc1cc(C)c(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)c(C)c1 ZINC000040173971 183043690 /nfs/dbraw/zinc/04/36/90/183043690.db2.gz FZMJMMMUXPRDQH-QGZVFWFLSA-N 1 0 321.424 3.602 10 0 DHAERO CCN(c1cccc(C)c1)c1ncnc(Nc2cc[nH+]cc2)c1N ZINC000040661698 183114960 /nfs/dbraw/zinc/11/49/60/183114960.db2.gz PQSFBJOVGIKCFS-UHFFFAOYSA-N 1 0 320.400 3.664 10 0 DHAERO CCC[N@H+](CC1CC1)[C@H](CN)c1ccc(Br)s1 ZINC000042317673 183253256 /nfs/dbraw/zinc/25/32/56/183253256.db2.gz WPKOWALLBODRHC-LLVKDONJSA-N 1 0 317.296 3.632 10 0 DHAERO C[C@H]1CCC[C@@H](N(C)c2cc(Br)ccc2C[NH3+])C1 ZINC000042493957 183277094 /nfs/dbraw/zinc/27/70/94/183277094.db2.gz HZHCRKKBWDLSGQ-SMDDNHRTSA-N 1 0 311.267 3.923 10 0 DHAERO CC(C)C[C@H](C)[N@H+](C)[C@@H](CN)c1cccc(Br)c1 ZINC000042563519 183285148 /nfs/dbraw/zinc/28/51/48/183285148.db2.gz SRQOLQZZAOQNSX-WFASDCNBSA-N 1 0 313.283 3.815 10 0 DHAERO CC(C)C[C@H](C)[N@H+](C)CC(=O)c1ccc(Br)cc1 ZINC000042586608 183287836 /nfs/dbraw/zinc/28/78/36/183287836.db2.gz DDWHHBYMKKMJKH-LBPRGKRZSA-N 1 0 312.251 3.998 10 0 DHAERO C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H](CN)c1ccc(Br)o1 ZINC000042607001 183290279 /nfs/dbraw/zinc/29/02/79/183290279.db2.gz LDFNWSABLSXDEX-UTUOFQBUSA-N 1 0 315.255 3.552 10 0 DHAERO C[C@@H](N(C)[C@@H](C[NH3+])c1ccc(Br)s1)C(C)(C)C ZINC000042741960 183304980 /nfs/dbraw/zinc/30/49/80/183304980.db2.gz MGMICVKBWNCQHM-ZJUUUORDSA-N 1 0 319.312 3.877 10 0 DHAERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCCCCC1 ZINC000042951907 183320659 /nfs/dbraw/zinc/32/06/59/183320659.db2.gz NCHDALWPFGGLJU-SWLSCSKDSA-N 1 0 311.267 3.713 10 0 DHAERO CC[C@H](N)[C@H](c1ccc(Br)cc1)[N@H+](C)CC(C)C ZINC000042952916 183321482 /nfs/dbraw/zinc/32/14/82/183321482.db2.gz ZIXNJFVLRGFAKE-GJZGRUSLSA-N 1 0 313.283 3.815 10 0 DHAERO CCc1nccn1[C@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042956219 183322701 /nfs/dbraw/zinc/32/27/01/183322701.db2.gz UYPQIOQJBIPEDV-UKRRQHHQSA-N 1 0 322.250 3.535 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CC1CC1 ZINC000043021046 183329952 /nfs/dbraw/zinc/32/99/52/183329952.db2.gz GDRNMRKDUUXWMP-LSDHHAIUSA-N 1 0 311.267 3.569 10 0 DHAERO COc1ccc(O[C@@H](C[NH3+])c2cccc(Br)c2)cc1 ZINC000043022738 183330815 /nfs/dbraw/zinc/33/08/15/183330815.db2.gz NVNKXYLDMSEDBQ-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO Cc1cccc(O[C@H](C[NH3+])c2ccccc2Br)c1 ZINC000043094285 183336690 /nfs/dbraw/zinc/33/66/90/183336690.db2.gz VLXJYJUCZNATTC-OAHLLOKOSA-N 1 0 306.203 3.836 10 0 DHAERO CC[C@@H](C)[N@H+](CCOC)Cc1ccc(Br)s1 ZINC000043678288 183378974 /nfs/dbraw/zinc/37/89/74/183378974.db2.gz PDFXSNYURMQYAI-SNVBAGLBSA-N 1 0 306.269 3.758 10 0 DHAERO CCn1cnnc1C1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000105928482 194172009 /nfs/dbraw/zinc/17/20/09/194172009.db2.gz KXYVLDYRLSMSRX-LBPRGKRZSA-N 1 0 320.387 3.517 10 0 DHAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C)c3cccc(F)c3)C2)n1 ZINC000106176959 194189598 /nfs/dbraw/zinc/18/95/98/194189598.db2.gz AEKYPLJDQBDJCZ-XJKSGUPXSA-N 1 0 316.424 3.507 10 0 DHAERO Cc1cnn([C@H]2CCC[N@H+](Cc3cccc(OC(F)F)c3)C2)c1 ZINC000106220307 194191310 /nfs/dbraw/zinc/19/13/10/194191310.db2.gz RHUHZDRQMDPFSO-HNNXBMFYSA-N 1 0 321.371 3.630 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000106216166 194191483 /nfs/dbraw/zinc/19/14/83/194191483.db2.gz KRGXIVPKULUQSX-CQSZACIVSA-N 1 0 305.372 3.561 10 0 DHAERO C[NH2+][C@H]1CCCC[C@H]1Cc1cc(Br)ccc1OC ZINC000049597142 183745835 /nfs/dbraw/zinc/74/58/35/183745835.db2.gz VPPYHUHJDZCMSG-FZMZJTMJSA-N 1 0 312.251 3.778 10 0 DHAERO C[NH2+][C@@H]1CCCC[C@@H]1Cc1cc(Br)ccc1OC ZINC000049597139 183745869 /nfs/dbraw/zinc/74/58/69/183745869.db2.gz VPPYHUHJDZCMSG-BXUZGUMPSA-N 1 0 312.251 3.778 10 0 DHAERO COc1ccc(Br)cc1C[C@@H]([NH3+])C1CCCCC1 ZINC000049599165 183746465 /nfs/dbraw/zinc/74/64/65/183746465.db2.gz JXKIKEDWNRPGMM-CQSZACIVSA-N 1 0 312.251 3.908 10 0 DHAERO C[NH2+][C@H](Cc1cc(Br)ccc1OC)CC(C)C ZINC000049599458 183747032 /nfs/dbraw/zinc/74/70/32/183747032.db2.gz BVYVNCLHXIRNON-ZDUSSCGKSA-N 1 0 300.240 3.634 10 0 DHAERO Cc1nn(-c2ccc(C[NH2+]C(C)C)cc2)c(C)c1Br ZINC000050593806 183790318 /nfs/dbraw/zinc/79/03/18/183790318.db2.gz LUWRUVLTHGKEQZ-UHFFFAOYSA-N 1 0 322.250 3.750 10 0 DHAERO CCC[NH2+][C@@H](Cc1cccc(Br)c1)c1cncnc1 ZINC000052887229 183879086 /nfs/dbraw/zinc/87/90/86/183879086.db2.gz ABIQJDFIJFOTBC-HNNXBMFYSA-N 1 0 320.234 3.523 10 0 DHAERO CC(C)C[NH2+]C[C@@H]1C[C@H]1c1ccc(Br)cc1F ZINC000054597837 183945758 /nfs/dbraw/zinc/94/57/58/183945758.db2.gz JAABHXKXODUZAD-GXFFZTMASA-N 1 0 300.215 3.937 10 0 DHAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(O)c(Br)c2)o1 ZINC000057988522 184065103 /nfs/dbraw/zinc/06/51/03/184065103.db2.gz VBYBQQPMFGSMTO-SNVBAGLBSA-N 1 0 310.191 3.907 10 0 DHAERO O[C@@H](c1ccc(Br)c2ccccc21)C1CC[NH2+]CC1 ZINC000059712327 184139994 /nfs/dbraw/zinc/13/99/94/184139994.db2.gz NEHASEBRBAEKRY-MRXNPFEDSA-N 1 0 320.230 3.635 10 0 DHAERO CCC[NH2+][C@@H](COCCC)Cc1ccc(Br)s1 ZINC000060702271 184154432 /nfs/dbraw/zinc/15/44/32/184154432.db2.gz GPNUIUBHSJMSJN-LLVKDONJSA-N 1 0 320.296 3.848 10 0 DHAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000061268859 184167193 /nfs/dbraw/zinc/16/71/93/184167193.db2.gz NETFYDIGVYCQKK-ZETCQYMHSA-N 1 0 309.624 3.973 10 0 DHAERO [NH3+]Cc1ncccc1CSc1ccc(Br)cc1 ZINC000061657778 184181002 /nfs/dbraw/zinc/18/10/02/184181002.db2.gz DOVPPYWBCGBWDD-UHFFFAOYSA-N 1 0 309.232 3.595 10 0 DHAERO CC[NH2+][C@H](C)c1nc2cc(Br)ccc2n1C1CC1 ZINC000062366531 184233176 /nfs/dbraw/zinc/23/31/76/184233176.db2.gz DRFQVGFAJKLUIY-SECBINFHSA-N 1 0 308.223 3.804 10 0 DHAERO CCCn1c2ccc(Br)cc2nc1[C@H](C)[NH2+]CC ZINC000062366355 184233195 /nfs/dbraw/zinc/23/31/95/184233195.db2.gz MEUHMPRJXPKGCI-JTQLQIEISA-N 1 0 310.239 3.879 10 0 DHAERO CC(C)C[C@@H]1CN(CC(F)(F)F)[C@H](c2ccccc2)C[NH2+]1 ZINC000062713054 184249538 /nfs/dbraw/zinc/24/95/38/184249538.db2.gz XHCVMBJSRKOVKV-CABCVRRESA-N 1 0 300.368 3.610 10 0 DHAERO [NH3+][C@@H](Cc1cc(F)ccc1Br)c1ccccc1F ZINC000062774634 184253073 /nfs/dbraw/zinc/25/30/73/184253073.db2.gz HZBQYAVTTMKRIA-AWEZNQCLSA-N 1 0 312.157 3.970 10 0 DHAERO CSCCc1c(-c2ccccc2)ncn1CCCCC[NH3+] ZINC000065508172 184356947 /nfs/dbraw/zinc/35/69/47/184356947.db2.gz XBMCTHSWXHFJGW-UHFFFAOYSA-N 1 0 303.475 3.585 10 0 DHAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000120436655 195166629 /nfs/dbraw/zinc/16/66/29/195166629.db2.gz WITAWUZQEZWDNE-RTWAWAEBSA-N 1 0 324.468 3.965 10 0 DHAERO CO[C@@H]1CC[N@H+](Cc2nccs2)C[C@H]1Cc1cccc(C)c1 ZINC000247882420 257115070 /nfs/dbraw/zinc/11/50/70/257115070.db2.gz RKZLCRJSTNEONC-IAGOWNOFSA-N 1 0 316.470 3.531 10 0 DHAERO C[C@H](c1ccccc1Cl)N(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000151312349 196663270 /nfs/dbraw/zinc/66/32/70/196663270.db2.gz JUNANLSKKCKFNK-RDBSUJKOSA-N 1 0 320.864 3.910 10 0 DHAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274920178 130273592 /nfs/dbraw/zinc/27/35/92/130273592.db2.gz OYTKNZITOYSGNH-ZIAGYGMSSA-N 1 0 304.821 3.991 10 0 DHAERO Cc1cc(N2[C@@H]3CCC[C@H]2CC([NH3+])C3)ccc1Br ZINC000054601731 134773900 /nfs/dbraw/zinc/77/39/00/134773900.db2.gz KGGKHHOSWMJWDM-YHWZYXNKSA-N 1 0 309.251 3.606 10 0 DHAERO CC1(C)CC(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000175115798 332876007 /nfs/dbraw/zinc/87/60/07/332876007.db2.gz KRJPQDOABGIKFS-HZPDHXFCSA-N 1 0 306.494 3.628 10 0 DHAERO C[C@@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC(C)(C)C1 ZINC000180231141 331564440 /nfs/dbraw/zinc/56/44/40/331564440.db2.gz VLNOIFNCQLLUHH-KURKYZTESA-N 1 0 320.521 3.926 10 0 DHAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000085363447 331739415 /nfs/dbraw/zinc/73/94/15/331739415.db2.gz MRUIYNBNBIWKKM-HOTGVXAUSA-N 1 0 304.459 3.787 10 0 DHAERO Cc1ccc([C@H](C)NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000262042936 331892967 /nfs/dbraw/zinc/89/29/67/331892967.db2.gz CAVJAKYRZMHQDI-XIRDDKMYSA-N 1 0 302.462 3.506 10 0 DHAERO CC(C)(C)C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000261766935 332021175 /nfs/dbraw/zinc/02/11/75/332021175.db2.gz OCDJEOGZDNJFAX-BRWVUGGUSA-N 1 0 302.462 3.655 10 0 DHAERO C[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000040852296 332205315 /nfs/dbraw/zinc/20/53/15/332205315.db2.gz ZZTZOAGVBNSHQX-WBMJQRKESA-N 1 0 302.805 3.607 10 0 DHAERO CCOCC[N@@H+]1CCN(C/C(C)=C\c2ccccc2)C[C@H]1CC ZINC000255021116 332266920 /nfs/dbraw/zinc/26/69/20/332266920.db2.gz ZRPXKUHTLONTPS-XLEPWJDSSA-N 1 0 316.489 3.523 10 0 DHAERO Cc1ccccc1[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccccc1 ZINC000180299611 333027524 /nfs/dbraw/zinc/02/75/24/333027524.db2.gz WMVAVJOEXJRFQD-FQEVSTJZSA-N 1 0 310.441 3.542 10 0 DHAERO Cc1cnn(CC[NH2+][C@@H](c2ccccc2)c2ccccc2C)c1 ZINC000180800731 333028724 /nfs/dbraw/zinc/02/87/24/333028724.db2.gz YHYDYMZVCPICTJ-FQEVSTJZSA-N 1 0 305.425 3.879 10 0 DHAERO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)cc1F ZINC000181343655 333030013 /nfs/dbraw/zinc/03/00/13/333030013.db2.gz UUZMCKWDKZOYTQ-LBPRGKRZSA-N 1 0 319.351 3.911 10 0 DHAERO Cc1cc(F)ccc1-c1ccc(C[NH+]2CCC([C@@H](C)O)CC2)o1 ZINC000092970032 333155673 /nfs/dbraw/zinc/15/56/73/333155673.db2.gz IFBOITOUIQFNLW-CQSZACIVSA-N 1 0 317.404 3.987 10 0 DHAERO CC(C)CCOc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)cc1 ZINC000092970413 333156443 /nfs/dbraw/zinc/15/64/43/333156443.db2.gz HGYPEUPBGXWGEK-MRXNPFEDSA-N 1 0 305.462 3.704 10 0 DHAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCC(C)(C)c1ccccc1 ZINC000041307448 333347570 /nfs/dbraw/zinc/34/75/70/333347570.db2.gz MBQPGMTVRCMQNA-INIZCTEOSA-N 1 0 304.478 3.591 10 0 DHAERO C[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1cc(Cl)ccc1Cl ZINC000186179119 333372423 /nfs/dbraw/zinc/37/24/23/333372423.db2.gz KVNXDDXYWVITAX-ZYHUDNBSSA-N 1 0 320.260 3.820 10 0 DHAERO CC[C@H]([NH2+]CCn1cc(C)cn1)c1cccc(Br)c1 ZINC000123877596 333475787 /nfs/dbraw/zinc/47/57/87/333475787.db2.gz OGLFKPMXGPTAJL-HNNXBMFYSA-N 1 0 322.250 3.695 10 0 DHAERO Cc1ccccc1[C@@H](C)[NH2+]CCC(=O)N1CCc2ccccc2C1 ZINC000189151975 334887441 /nfs/dbraw/zinc/88/74/41/334887441.db2.gz JTUBRGMUTFNICR-QGZVFWFLSA-N 1 0 322.452 3.621 10 0 DHAERO CO[C@]1(C)C[C@@H]([NH2+][C@H]2CCC(=O)Nc3ccccc32)C1(C)C ZINC000329634619 336020686 /nfs/dbraw/zinc/02/06/86/336020686.db2.gz XQUWZVQPQWXWDI-HDMKZQKVSA-N 1 0 302.418 3.903 10 0 DHAERO CC1(C)CCCC[C@H]1c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 ZINC000329635723 336020904 /nfs/dbraw/zinc/02/09/04/336020904.db2.gz XZLOAIJQOYCRBK-SOUVJXGZSA-N 1 0 319.449 3.679 10 0 DHAERO COC(=O)C1CCC([NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000192440147 336032331 /nfs/dbraw/zinc/03/23/31/336032331.db2.gz AFEXWBRAVUJYKN-XSRFYTQQSA-N 1 0 313.800 3.862 10 0 DHAERO C[C@H](NC(=O)[C@H]1CCC[NH2+][C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000395255612 336077956 /nfs/dbraw/zinc/07/79/56/336077956.db2.gz YCVSRLHGVAVQAV-NHCYSSNCSA-N 1 0 315.244 3.559 10 0 DHAERO O[C@]12CCCC[C@@H]1C[N@H+](CCSCc1ccccc1)CC2 ZINC000192624933 336199663 /nfs/dbraw/zinc/19/96/63/336199663.db2.gz OBVKPLSFZNJSFB-MSOLQXFVSA-N 1 0 305.487 3.547 10 0 DHAERO Clc1ccc2c(c1)nccc2N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000301224408 336295548 /nfs/dbraw/zinc/29/55/48/336295548.db2.gz FJAZTGIEGYDDJN-AWEZNQCLSA-N 1 0 301.821 3.563 10 0 DHAERO COc1ccc([C@@H]2[C@H](CNc3ccccn3)CCC[N@@H+]2C)cc1 ZINC000301275729 336298117 /nfs/dbraw/zinc/29/81/17/336298117.db2.gz ISSXUZWLDQAEBR-QFBILLFUSA-N 1 0 311.429 3.585 10 0 DHAERO O[C@H]1CCC[C@H]1CNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000301798327 336330736 /nfs/dbraw/zinc/33/07/36/336330736.db2.gz RBAFNVRMRGFSSZ-BONVTDFDSA-N 1 0 310.319 3.827 10 0 DHAERO CC(C)(C)c1nnc(N2CCC[C@H]([NH+]3CCCCCC3)C2)s1 ZINC000301981630 336341261 /nfs/dbraw/zinc/34/12/61/336341261.db2.gz IVCXSPKVFZEOPU-AWEZNQCLSA-N 1 0 322.522 3.680 10 0 DHAERO CCOc1cc(C[NH2+][C@@H]2C[C@H]2C)ccc1OCC(F)(F)F ZINC000105437154 336387472 /nfs/dbraw/zinc/38/74/72/336387472.db2.gz CDHDRCQWNHPNCT-ZYHUDNBSSA-N 1 0 303.324 3.524 10 0 DHAERO CCCCOC[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000193357542 336701459 /nfs/dbraw/zinc/70/14/59/336701459.db2.gz WUOUONCAHBZLGP-DNVCBOLYSA-N 1 0 301.430 3.668 10 0 DHAERO CC(=O)NC1CCC([NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000120059154 336895311 /nfs/dbraw/zinc/89/53/11/336895311.db2.gz AFNYJWMNMVKLTO-YRUMMAOCSA-N 1 0 318.505 3.628 10 0 DHAERO c1ccc(CN2CCC[C@@H]([NH2+][C@H]3CCOc4ccccc43)C2)cc1 ZINC000301136610 336915463 /nfs/dbraw/zinc/91/54/63/336915463.db2.gz QACKYDUFIYDLAC-QUCCMNQESA-N 1 0 322.452 3.764 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(F)cc2C)C1 ZINC000122904466 337030231 /nfs/dbraw/zinc/03/02/31/337030231.db2.gz CUDZIKLHBLFECG-KRWDZBQOSA-N 1 0 301.409 3.730 10 0 DHAERO Cc1nc(C[C@H]2CCC[N@@H+](CC[C@@H](C)c3ccccc3)C2)no1 ZINC000193856971 337079755 /nfs/dbraw/zinc/07/97/55/337079755.db2.gz PIMJUPHOARZAMK-NVXWUHKLSA-N 1 0 313.445 3.826 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000171523898 337087747 /nfs/dbraw/zinc/08/77/47/337087747.db2.gz GDTQAFUNPKXTFR-QGZVFWFLSA-N 1 0 313.445 3.552 10 0 DHAERO CC1(C)SC[C@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000393840430 337094033 /nfs/dbraw/zinc/09/40/33/337094033.db2.gz SGEFJEGQSHZBQT-QWHCGFSZSA-N 1 0 312.276 3.920 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F)c1cccs1 ZINC000172603613 337130240 /nfs/dbraw/zinc/13/02/40/337130240.db2.gz XXSOBDWAXBEKJS-ZJUUUORDSA-N 1 0 310.369 3.704 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Cl)sc1Cl ZINC000177037083 337152948 /nfs/dbraw/zinc/15/29/48/337152948.db2.gz QYJNGWUMFARDRM-VIFPVBQESA-N 1 0 321.273 3.611 10 0 DHAERO CC(C)[N@H+]1C[C@H](Nc2nc(C(F)F)nc3ccccc32)[C@@H](C)C1 ZINC000176798216 337153225 /nfs/dbraw/zinc/15/32/25/337153225.db2.gz CZGQVJZXQKKXGR-FZMZJTMJSA-N 1 0 320.387 3.708 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000180120307 337171502 /nfs/dbraw/zinc/17/15/02/337171502.db2.gz GHNIIIRPUZMNPK-QGZVFWFLSA-N 1 0 301.409 3.730 10 0 DHAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccccc1)C(C)C)CC2 ZINC000180169700 337175115 /nfs/dbraw/zinc/17/51/15/337175115.db2.gz HYCXGXTXRDNNQV-WMZOPIPTSA-N 1 0 312.461 3.703 10 0 DHAERO CC(C)C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1 ZINC000180597100 337176555 /nfs/dbraw/zinc/17/65/55/337176555.db2.gz OCJNZJKNMJJZOE-CVEARBPZSA-N 1 0 318.852 3.623 10 0 DHAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1ccc(Cl)s1)CC2 ZINC000180617231 337176679 /nfs/dbraw/zinc/17/66/79/337176679.db2.gz ZYSJVYIWXQSVLN-QWRGUYRKSA-N 1 0 324.881 3.611 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc3c(c1)CCC3)CC2 ZINC000180637687 337176778 /nfs/dbraw/zinc/17/67/78/337176778.db2.gz GAVLKRCWUVAUQS-KBXCAEBGSA-N 1 0 324.472 3.556 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2)C12CCOCC2 ZINC000186239267 337255030 /nfs/dbraw/zinc/25/50/30/337255030.db2.gz JUCLKPUHHIVSRZ-QZTJIDSGSA-N 1 0 317.473 3.528 10 0 DHAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C2CCSCC2)cc1OC ZINC000187071247 337261652 /nfs/dbraw/zinc/26/16/52/337261652.db2.gz IBZSCURMOCQBKN-CHWSQXEVSA-N 1 0 309.475 3.886 10 0 DHAERO C[C@H](c1ccccc1F)[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188084746 337270506 /nfs/dbraw/zinc/27/05/06/337270506.db2.gz PBZOLUXBKQOWBC-XPKDYRNWSA-N 1 0 305.418 3.656 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1cccc(F)c1 ZINC000188184456 337271145 /nfs/dbraw/zinc/27/11/45/337271145.db2.gz GKYOUTFXFPDNQW-HOTGVXAUSA-N 1 0 316.424 3.596 10 0 DHAERO CCc1cccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000190069459 337285128 /nfs/dbraw/zinc/28/51/28/337285128.db2.gz SNXCALNZNXGGTL-ROUUACIJSA-N 1 0 301.455 3.518 10 0 DHAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1CCCc1ccc2c(c1)CCO2 ZINC000193250997 337309511 /nfs/dbraw/zinc/30/95/11/337309511.db2.gz DVVNZUIFJSUITD-SFHVURJKSA-N 1 0 311.429 3.504 10 0 DHAERO CC[NH+](CC)CCCNc1ccnc2c(N)c(Cl)ccc12 ZINC000584635757 337376059 /nfs/dbraw/zinc/37/60/59/337376059.db2.gz QCSGUWRQYOAZGR-UHFFFAOYSA-N 1 0 306.841 3.614 10 0 DHAERO CC[C@@H](c1ccccc1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106083348 337386916 /nfs/dbraw/zinc/38/69/16/337386916.db2.gz PFPPREGECBPWTH-SFHVURJKSA-N 1 0 310.445 3.529 10 0 DHAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000035018867 337392492 /nfs/dbraw/zinc/39/24/92/337392492.db2.gz ZACCSMSLYUEFJW-VHSXEESVSA-N 1 0 303.233 3.559 10 0 DHAERO CC(C)C1([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000379461652 337399017 /nfs/dbraw/zinc/39/90/17/337399017.db2.gz DNNHAQMAKXXTAY-LBPRGKRZSA-N 1 0 318.244 3.511 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C12CCOCC2 ZINC000248913218 337568608 /nfs/dbraw/zinc/56/86/08/337568608.db2.gz CODFEKRDJJUVFM-BPQIPLTHSA-N 1 0 303.446 3.620 10 0 DHAERO C[C@H]([NH2+][C@H]1CCc2ccc(Br)cc21)[C@@H]1CCCO1 ZINC000249206378 337570075 /nfs/dbraw/zinc/57/00/75/337570075.db2.gz BLRCDHURQOXFSM-LKTVYLICSA-N 1 0 310.235 3.594 10 0 DHAERO Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261982671 337613756 /nfs/dbraw/zinc/61/37/56/337613756.db2.gz MGQMSTITYZRVBP-CYBMUJFWSA-N 1 0 320.820 3.594 10 0 DHAERO Cc1cc(-c2nc(-c3ccc(C[NH3+])cc3)no2)c(C)n1C1CC1 ZINC000262038019 337614596 /nfs/dbraw/zinc/61/45/96/337614596.db2.gz OTYNMHZJRLTOMS-UHFFFAOYSA-N 1 0 308.385 3.616 10 0 DHAERO CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1cccc(Cl)c1 ZINC000262113172 337615187 /nfs/dbraw/zinc/61/51/87/337615187.db2.gz VUGJWSQQTJGQNQ-JKSUJKDBSA-N 1 0 322.880 3.665 10 0 DHAERO C[C@H](NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1ccc(F)c(Cl)c1 ZINC000263249379 337625845 /nfs/dbraw/zinc/62/58/45/337625845.db2.gz PQXPLCCHJSZPPJ-PKWAYOAASA-N 1 0 312.816 3.564 10 0 DHAERO C[NH2+]Cc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1 ZINC000036282700 337747278 /nfs/dbraw/zinc/74/72/78/337747278.db2.gz RRNAXRPDIKEYLY-UHFFFAOYSA-N 1 0 309.196 3.965 10 0 DHAERO C[NH2+]Cc1cccc(NC(=O)c2c(Cl)cccc2Cl)c1 ZINC000036282691 337747290 /nfs/dbraw/zinc/74/72/90/337747290.db2.gz HCHJGIOLHMYSJQ-UHFFFAOYSA-N 1 0 309.196 3.965 10 0 DHAERO C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000036282390 337747345 /nfs/dbraw/zinc/74/73/45/337747345.db2.gz RYTIZYKACDGVOH-UHFFFAOYSA-N 1 0 309.196 3.965 10 0 DHAERO Cc1csc(C2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000092787532 337908728 /nfs/dbraw/zinc/90/87/28/337908728.db2.gz VBFZNQNYIONSAZ-UHFFFAOYSA-N 1 0 318.490 3.783 10 0 DHAERO COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c(F)c1 ZINC000122861249 337924652 /nfs/dbraw/zinc/92/46/52/337924652.db2.gz RXPMTWUEZGZVSJ-STQMWFEESA-N 1 0 303.377 3.822 10 0 DHAERO COc1cc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)ccc1F ZINC000152672833 338209744 /nfs/dbraw/zinc/20/97/44/338209744.db2.gz PLOAAEGUVWAWFK-KDOFPFPSSA-N 1 0 316.420 3.788 10 0 DHAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000300415928 340225449 /nfs/dbraw/zinc/22/54/49/340225449.db2.gz ZLBGALHIJSKDTC-XFBWCDHKSA-N 1 0 324.262 3.577 10 0 DHAERO CCN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000190742349 340546861 /nfs/dbraw/zinc/54/68/61/340546861.db2.gz GYEVMGGXODPNKT-UONOGXRCSA-N 1 0 315.383 3.748 10 0 DHAERO CC[NH+](CC)[C@@H](C)CNC(=O)C[C@H](c1ccccc1)C(C)C ZINC000041110935 340709562 /nfs/dbraw/zinc/70/95/62/340709562.db2.gz YHPNVCQJPPWGFI-WMZOPIPTSA-N 1 0 304.478 3.663 10 0 DHAERO C[N@@H+](Cc1ccc2ccccc2n1)C[C@H]1COc2ccccc2O1 ZINC000072822453 341107860 /nfs/dbraw/zinc/10/78/60/341107860.db2.gz IFEMUCMKSQKHPP-KRWDZBQOSA-N 1 0 320.392 3.507 10 0 DHAERO C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000134538564 341217573 /nfs/dbraw/zinc/21/75/73/341217573.db2.gz ZWVLPEKKTNJIEL-WDEREUQCSA-N 1 0 315.244 3.560 10 0 DHAERO Cc1cc(C[NH2+]Cc2ccc(O)cc2)ccc1Br ZINC000135475528 341240503 /nfs/dbraw/zinc/24/05/03/341240503.db2.gz QPWPEINJBSVMSY-UHFFFAOYSA-N 1 0 306.203 3.753 10 0 DHAERO C[C@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000136141532 341253679 /nfs/dbraw/zinc/25/36/79/341253679.db2.gz JBVCEXPZXVXILR-ZUZCIYMTSA-N 1 0 315.244 3.703 10 0 DHAERO C[C@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000136139906 341253699 /nfs/dbraw/zinc/25/36/99/341253699.db2.gz DOPHEWZDQRYBJU-BONVTDFDSA-N 1 0 315.244 3.703 10 0 DHAERO C[C@@H]([NH2+]Cc1ccc(Cl)c(Br)c1)[C@H]1CCCO1 ZINC000137074001 341271936 /nfs/dbraw/zinc/27/19/36/341271936.db2.gz VIBNWFZGGSJPAO-NOZJJQNGSA-N 1 0 318.642 3.760 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H]1CCc2c1cccc2Cl ZINC000246520692 341352387 /nfs/dbraw/zinc/35/23/87/341352387.db2.gz CCCFNEPBRXYEGH-KDOFPFPSSA-N 1 0 315.848 3.997 10 0 DHAERO Cc1ccc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246766206 341356981 /nfs/dbraw/zinc/35/69/81/341356981.db2.gz QZQCPMNVOAEWDW-QAPCUYQASA-N 1 0 303.352 3.581 10 0 DHAERO CC(C)[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000247139084 341361471 /nfs/dbraw/zinc/36/14/71/341361471.db2.gz JSHZIXWBXPWHTA-NEWSRXKRSA-N 1 0 314.473 3.511 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Br)[C@H]1CCCO1 ZINC000247230932 341362424 /nfs/dbraw/zinc/36/24/24/341362424.db2.gz YHGACVAWAWSRGJ-IMSIIYSGSA-N 1 0 316.214 3.806 10 0 DHAERO CSc1cccc(C)c1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248556732 341379850 /nfs/dbraw/zinc/37/98/50/341379850.db2.gz CDNKNGNEWISKCQ-ZIAGYGMSSA-N 1 0 321.490 3.567 10 0 DHAERO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248657186 341382960 /nfs/dbraw/zinc/38/29/60/341382960.db2.gz SEUXKGJRHNJBKK-ICSRJNTNSA-N 1 0 323.484 3.905 10 0 DHAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000248663284 341383748 /nfs/dbraw/zinc/38/37/48/341383748.db2.gz ZKXMGAUAUZWQKO-OIISXLGYSA-N 1 0 309.450 3.539 10 0 DHAERO O[C@]12CCCC[C@@H]1C[N@H+](CC1CCC(C(F)(F)F)CC1)CC2 ZINC000248705106 341384754 /nfs/dbraw/zinc/38/47/54/341384754.db2.gz HIPYNCORHDOKOG-FJBKBRRZSA-N 1 0 319.411 3.982 10 0 DHAERO C[C@H](CCC1CC1)[NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000249020107 341392114 /nfs/dbraw/zinc/39/21/14/341392114.db2.gz QLLZZKWLDCRKLH-BFYDXBDKSA-N 1 0 322.518 3.678 10 0 DHAERO C[C@@H](CC(F)(F)F)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000153476300 341541790 /nfs/dbraw/zinc/54/17/90/341541790.db2.gz SXMNKOKHJKBLAZ-RYUDHWBXSA-N 1 0 324.387 3.564 10 0 DHAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(F)cc1Br ZINC000164040460 341702865 /nfs/dbraw/zinc/70/28/65/341702865.db2.gz VXJFOAJGVSFDHM-TVQRCGJNSA-N 1 0 318.230 3.646 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1cc3ccccc3o1)CC2 ZINC000180506176 519897371 /nfs/dbraw/zinc/89/73/71/519897371.db2.gz KVBXCFDOOFFKEN-UKRRQHHQSA-N 1 0 324.428 3.813 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C12CCOCC2 ZINC000186202622 520374454 /nfs/dbraw/zinc/37/44/54/520374454.db2.gz CODFEKRDJJUVFM-CGTJXYLNSA-N 1 0 303.446 3.620 10 0 DHAERO CCC[C@H](C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1)[NH+](C)C ZINC000156190722 520987315 /nfs/dbraw/zinc/98/73/15/520987315.db2.gz KAOQSFAENQUPSU-MRXNPFEDSA-N 1 0 315.417 3.627 10 0 DHAERO CCCc1cc(N2CCC[C@H](n3cncn3)C2)c2ccccc2[nH+]1 ZINC000124787590 521369240 /nfs/dbraw/zinc/36/92/40/521369240.db2.gz TXQRZVRBUOXFQI-INIZCTEOSA-N 1 0 321.428 3.620 10 0 DHAERO CCSc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000156339954 521748960 /nfs/dbraw/zinc/74/89/60/521748960.db2.gz NYXWGWOHMWIYNK-JQWIXIFHSA-N 1 0 312.866 3.908 10 0 DHAERO CCc1csc([C@@H]2CCC[N@H+](Cc3nc(C)cs3)C2)n1 ZINC000130139354 522112039 /nfs/dbraw/zinc/11/20/39/522112039.db2.gz UXMFDJDGMURDSB-GFCCVEGCSA-N 1 0 307.488 3.850 10 0 DHAERO CCc1csc([C@H]2CCC[N@H+](Cc3nc(C)cs3)C2)n1 ZINC000130139531 522117181 /nfs/dbraw/zinc/11/71/81/522117181.db2.gz UXMFDJDGMURDSB-LBPRGKRZSA-N 1 0 307.488 3.850 10 0 DHAERO CC[C@H](O)CC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000128153481 522808587 /nfs/dbraw/zinc/80/85/87/522808587.db2.gz XHKFVILBCLKZDS-GJZGRUSLSA-N 1 0 316.470 3.938 10 0 DHAERO CCn1nccc1C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000130212214 523727347 /nfs/dbraw/zinc/72/73/47/523727347.db2.gz CNLKMIDPRMPPKO-CQSZACIVSA-N 1 0 318.490 3.863 10 0 DHAERO CCc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)CC(F)(F)F)o1 ZINC000189391771 524053552 /nfs/dbraw/zinc/05/35/52/524053552.db2.gz WYTMEOIFDLQKJX-DGCLKSJQSA-N 1 0 305.340 3.682 10 0 DHAERO C[C@@H](CC(=O)N[C@@H](C)c1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000148806866 524379923 /nfs/dbraw/zinc/37/99/23/524379923.db2.gz RQUUJCCNELKROM-MELADBBJSA-N 1 0 308.853 3.543 10 0 DHAERO Cc1cccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1C ZINC000190479379 524407286 /nfs/dbraw/zinc/40/72/86/524407286.db2.gz NBMLYZLZYVENFY-HXUWFJFHSA-N 1 0 323.484 3.652 10 0 DHAERO COc1ccccc1C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)C(C)C ZINC000157646354 524512288 /nfs/dbraw/zinc/51/22/88/524512288.db2.gz QYLRDFDJJMAXMZ-BJLQDIEVSA-N 1 0 317.473 3.810 10 0 DHAERO C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CCS1 ZINC000131360433 524635789 /nfs/dbraw/zinc/63/57/89/524635789.db2.gz BWLNNVWOJHPUQC-HNNXBMFYSA-N 1 0 314.454 3.598 10 0 DHAERO Cc1ccccc1COc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000158359049 525174656 /nfs/dbraw/zinc/17/46/56/525174656.db2.gz NCTGLGAKDQGTDY-NVXWUHKLSA-N 1 0 324.424 3.640 10 0 DHAERO Cc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2cccc(Cl)c2)n1 ZINC000070456322 525277274 /nfs/dbraw/zinc/27/72/74/525277274.db2.gz OEKMOLXNRYAXQX-ZDUSSCGKSA-N 1 0 316.836 3.517 10 0 DHAERO C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1cccs1 ZINC000182039908 525406728 /nfs/dbraw/zinc/40/67/28/525406728.db2.gz CXMVWHTYDJMLMR-GFCCVEGCSA-N 1 0 318.467 3.538 10 0 DHAERO C[C@H]([NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccnc1 ZINC000181656207 525410260 /nfs/dbraw/zinc/41/02/60/525410260.db2.gz WKTDRHDKHKDGNG-BLLLJJGKSA-N 1 0 315.804 3.579 10 0 DHAERO C[C@H]([NH2+]Cc1csc(-c2ccccc2F)n1)[C@@H]1CCCO1 ZINC000183123505 525482500 /nfs/dbraw/zinc/48/25/00/525482500.db2.gz PEKMJSJBYHLUHS-NHYWBVRUSA-N 1 0 306.406 3.606 10 0 DHAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c(C)s1 ZINC000180499181 525528069 /nfs/dbraw/zinc/52/80/69/525528069.db2.gz SOTKAUMDZXARGH-GXTWGEPZSA-N 1 0 318.490 3.745 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(-c2cccs2)cc1 ZINC000180586199 525582605 /nfs/dbraw/zinc/58/26/05/525582605.db2.gz PYRIYOFTOIGQCM-XJKSGUPXSA-N 1 0 324.453 3.672 10 0 DHAERO Cc1ccc([C@H]([NH3+])C(=O)N[C@H](C)c2ccc(Cl)s2)cc1 ZINC000228080640 525962302 /nfs/dbraw/zinc/96/23/02/525962302.db2.gz JEDMMQDJFWIMHU-YGRLFVJLSA-N 1 0 308.834 3.587 10 0 DHAERO C[C@H](c1cc(F)ccc1F)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106182351 526038588 /nfs/dbraw/zinc/03/85/88/526038588.db2.gz VHYGXIAQYGAOHW-CYBMUJFWSA-N 1 0 305.372 3.635 10 0 DHAERO OC[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1c1ccsc1 ZINC000188148275 527596057 /nfs/dbraw/zinc/59/60/57/527596057.db2.gz ODQIOQSMTOOMMM-RDJZCZTQSA-N 1 0 313.422 3.702 10 0 DHAERO CC(C)COc1ccc([C@@H](C)NC(=O)C2([NH3+])CCCCC2)cc1 ZINC000120106240 535234942 /nfs/dbraw/zinc/23/49/42/535234942.db2.gz QKVBUUXRLCJQSP-OAHLLOKOSA-N 1 0 318.461 3.560 10 0 DHAERO Cc1ccc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1Cl ZINC000675055798 563909890 /nfs/dbraw/zinc/90/98/90/563909890.db2.gz YIXPAEGJGMDTFJ-DZGCQCFKSA-N 1 0 324.852 3.966 10 0 DHAERO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@@H]2c3ccccc3CC[C@@H]21 ZINC000008586471 560209653 /nfs/dbraw/zinc/20/96/53/560209653.db2.gz DMJWENQHWZZWDF-HKUYNNGSSA-N 1 0 313.828 3.980 10 0 in-vitro DHAERO Cc1ccc(COc2cccc(C[NH2+]CCCCCO)c2)cc1 ZINC000013727243 563387902 /nfs/dbraw/zinc/38/79/02/563387902.db2.gz OJIXRKQWAXWACG-UHFFFAOYSA-N 1 0 313.441 3.826 10 0 DHAERO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCCCCO ZINC000013727150 563388112 /nfs/dbraw/zinc/38/81/12/563388112.db2.gz LFZGIZHQKYEXKI-UHFFFAOYSA-N 1 0 306.233 3.644 10 0 DHAERO C[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000068592917 563494763 /nfs/dbraw/zinc/49/47/63/563494763.db2.gz XMRUFXRESHLTCT-BFYDXBDKSA-N 1 0 318.461 3.810 10 0 DHAERO CC(C)(C)C1CCC([NH3+])(c2ncc(Br)cn2)CC1 ZINC000310632741 563633909 /nfs/dbraw/zinc/63/39/09/563633909.db2.gz OFDMTNNVWWGMNJ-UHFFFAOYSA-N 1 0 312.255 3.629 10 0 DHAERO COCC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000032204223 563769007 /nfs/dbraw/zinc/76/90/07/563769007.db2.gz RWOFJESZKGPZFG-UHFFFAOYSA-N 1 0 305.805 3.655 10 0 DHAERO Cc1ccc(F)cc1[C@H]1C[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675052477 563780627 /nfs/dbraw/zinc/78/06/27/563780627.db2.gz AOSAJJZXDKSXQT-DZGCQCFKSA-N 1 0 308.397 3.533 10 0 DHAERO Cc1ccccc1[C@@]1(C)C[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675053141 563856649 /nfs/dbraw/zinc/85/66/49/563856649.db2.gz GLEXJAAQHVSCDO-RDTXWAMCSA-N 1 0 304.434 3.568 10 0 DHAERO Cc1ccc(C)c([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675054227 563861800 /nfs/dbraw/zinc/86/18/00/563861800.db2.gz MNYWEZGKLSXKSV-HOCLYGCPSA-N 1 0 304.434 3.703 10 0 DHAERO Cc1cccc([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1F ZINC000675054308 563861816 /nfs/dbraw/zinc/86/18/16/563861816.db2.gz MYNNDAILGSUXDC-JSGCOSHPSA-N 1 0 308.397 3.533 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@@]2(CC1)[NH2+]CCc1sccc12 ZINC000704096969 568414271 /nfs/dbraw/zinc/41/42/71/568414271.db2.gz QOYIKCBPONYKMJ-KRWDZBQOSA-N 1 0 322.474 3.510 10 0 DHAERO c1[nH]nc2c1C[C@@H]([NH2+][C@H]1CC3(CCCC3)Oc3ccccc31)CC2 ZINC000090454396 1032398955 /nfs/dbraw/zinc/39/89/55/1032398955.db2.gz YNDBVTGTRPTKID-YJBOKZPZSA-N 1 0 323.440 3.693 10 0 DHAERO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1cc[nH]c1)c1cccs1 ZINC000091891854 1032464161 /nfs/dbraw/zinc/46/41/61/1032464161.db2.gz GNCAXEDGQMLKCX-HZPDHXFCSA-N 1 0 304.459 3.945 10 0 DHAERO COc1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc(OC)c1 ZINC000092788686 1032511384 /nfs/dbraw/zinc/51/13/84/1032511384.db2.gz STVAURJXZATHGT-AWEZNQCLSA-N 1 0 318.442 3.540 10 0 DHAERO CC(=O)Nc1ccccc1C[N@H+]1CC=C(c2cccs2)CC1 ZINC000093533823 1032542532 /nfs/dbraw/zinc/54/25/32/1032542532.db2.gz VKVGFXUCUFJZKC-UHFFFAOYSA-N 1 0 312.438 3.996 10 0 DHAERO CC(C)CCc1nc(CN2CCC([NH+]3CCCC3)CC2)cs1 ZINC000065041079 1026027319 /nfs/dbraw/zinc/02/73/19/1026027319.db2.gz FYXOLBVGPMASFB-UHFFFAOYSA-N 1 0 321.534 3.792 10 0 DHAERO Cc1cc(C)n(CC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000075154723 1030631382 /nfs/dbraw/zinc/63/13/82/1030631382.db2.gz KRTHQFXKMLUZPS-UHFFFAOYSA-N 1 0 301.409 3.551 10 0 DHAERO O[C@H](c1ccc(Br)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000083165708 185215408 /nfs/dbraw/zinc/21/54/08/185215408.db2.gz GVCWWKLEICUGLP-BZNIZROVSA-N 1 0 320.230 3.635 10 0 DHAERO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cccnc2)n(-c2ccccc2)n1 ZINC000090601683 185305983 /nfs/dbraw/zinc/30/59/83/185305983.db2.gz CEELLYPGPZHSNH-WBVHZDCISA-N 1 0 320.440 3.858 10 0 DHAERO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cccnc2)n(-c2ccccc2)n1 ZINC000090601696 185306055 /nfs/dbraw/zinc/30/60/55/185306055.db2.gz CEELLYPGPZHSNH-DOTOQJQBSA-N 1 0 320.440 3.858 10 0 DHAERO C[C@H]([NH3+])Cc1cccc(OCc2ccccc2Br)c1 ZINC000037726490 190665028 /nfs/dbraw/zinc/66/50/28/190665028.db2.gz NHKSBWKFFUYKOX-LBPRGKRZSA-N 1 0 320.230 3.918 10 0 DHAERO C[C@H]([NH3+])Cc1ccccc1OCc1ccc(Br)cc1 ZINC000037724264 190665088 /nfs/dbraw/zinc/66/50/88/190665088.db2.gz DESCHANXKOSSMX-LBPRGKRZSA-N 1 0 320.230 3.918 10 0 DHAERO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(-c2ccccc2)cc1 ZINC000150718223 186059407 /nfs/dbraw/zinc/05/94/07/186059407.db2.gz WOJZYRMFYLYNST-KXBFYZLASA-N 1 0 308.425 3.673 10 0 DHAERO CCCC(C)(C)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000003602660 181038838 /nfs/dbraw/zinc/03/88/38/181038838.db2.gz KHXXYLDDCIKREX-GFCCVEGCSA-N 1 0 305.249 3.777 10 0 in-vitro DHAERO CC(=O)C1(Nc2ccccc2)CC[NH+](CCc2ccccc2)CC1 ZINC000003652175 181043654 /nfs/dbraw/zinc/04/36/54/181043654.db2.gz VEDLHCQCGPNHOL-UHFFFAOYSA-N 1 0 322.452 3.765 10 0 DHAERO CCC(=O)O[C@]1(Cc2ccc(C)cc2)C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000004474255 181111510 /nfs/dbraw/zinc/11/15/10/181111510.db2.gz GQGVETQCCLGIHQ-FCEWJHQRSA-N 1 0 303.446 3.590 10 0 DHAERO CCOC(=O)[C@@H](c1ccccc1)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000005326025 181229709 /nfs/dbraw/zinc/22/97/09/181229709.db2.gz ZJRYRGYVCLTRCT-ZWKOTPCHSA-N 1 0 303.446 3.844 10 0 DHAERO CCC(CC)(NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000236915254 202068285 /nfs/dbraw/zinc/06/82/85/202068285.db2.gz RGPJJDSGIUXJRQ-WFASDCNBSA-N 1 0 308.853 3.599 10 0 DHAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000236917480 202069786 /nfs/dbraw/zinc/06/97/86/202069786.db2.gz BZUVYGLKOMHGTH-SCLBCKFNSA-N 1 0 312.413 3.674 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000236987665 202110899 /nfs/dbraw/zinc/11/08/99/202110899.db2.gz SVOJSIKIACZOGR-APWZRJJASA-N 1 0 322.408 3.766 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N[C@H](CCC)c1cccc(C(F)(F)F)c1 ZINC000236998800 202114744 /nfs/dbraw/zinc/11/47/44/202114744.db2.gz WVPNWWBZMFYDAF-ZIAGYGMSSA-N 1 0 316.367 3.790 10 0 DHAERO COc1cccc(C(=O)O[C@H](C)C[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000006409558 181339334 /nfs/dbraw/zinc/33/93/34/181339334.db2.gz FZUAYJQPOVHLAH-RBSFLKMASA-N 1 0 305.418 3.503 10 0 DHAERO CCc1ccc([C@H]([NH2+][C@H]2CCCn3nc(C)nc32)C(C)C)cc1 ZINC000091377419 193048730 /nfs/dbraw/zinc/04/87/30/193048730.db2.gz AVZAFGBRIKVYEG-ZWKOTPCHSA-N 1 0 312.461 3.971 10 0 DHAERO COc1ccc([C@H]([NH3+])c2ccc(Br)cc2)c(OC)c1 ZINC000019414992 182122498 /nfs/dbraw/zinc/12/24/98/182122498.db2.gz QGFNDQPNRKQLOY-OAHLLOKOSA-N 1 0 322.202 3.514 10 0 DHAERO CC[C@@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccc(Br)cc1 ZINC000019947445 182169262 /nfs/dbraw/zinc/16/92/62/182169262.db2.gz RUHVSCLBJAZRHO-HZPDHXFCSA-N 1 0 323.278 3.584 10 0 DHAERO [NH3+][C@H](c1cc(F)ccc1F)c1cc(F)ccc1Br ZINC000019969418 182171218 /nfs/dbraw/zinc/17/12/18/182171218.db2.gz PDALXSQZYNWARO-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO CCOc1ccc([C@@H]([NH3+])c2ccccc2Br)cc1 ZINC000019967408 182171819 /nfs/dbraw/zinc/17/18/19/182171819.db2.gz MWMRKVSLTQRBLN-OAHLLOKOSA-N 1 0 306.203 3.896 10 0 DHAERO CCOc1ccc([C@H]([NH3+])c2cccc(Br)c2)cc1 ZINC000019967511 182171859 /nfs/dbraw/zinc/17/18/59/182171859.db2.gz JTUQYKWIKYAMMN-HNNXBMFYSA-N 1 0 306.203 3.896 10 0 DHAERO [NH3+][C@H](c1ccccc1Br)c1c(F)cc(F)cc1F ZINC000019971704 182172418 /nfs/dbraw/zinc/17/24/18/182172418.db2.gz YDSDCSLJVQVUGR-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO C[C@H]1C[C@H](C)C[NH+](C[C@@H](N)c2cccc(C(F)(F)F)c2)C1 ZINC000020022961 182179920 /nfs/dbraw/zinc/17/99/20/182179920.db2.gz YEFMNVRZMOMKLW-SLEUVZQESA-N 1 0 300.368 3.683 10 0 DHAERO CC(C)c1ccc(-c2csc3ncnc(NCC[NH3+])c23)cc1 ZINC000020322216 182206974 /nfs/dbraw/zinc/20/69/74/182206974.db2.gz AZKKKQBAXMFBTM-UHFFFAOYSA-N 1 0 312.442 3.852 10 0 DHAERO Cc1sc2ncnc(NCC[NH3+])c2c1-c1ccc(C)c(C)c1 ZINC000020322883 182207076 /nfs/dbraw/zinc/20/70/76/182207076.db2.gz CNRWLMSOZGVBCN-UHFFFAOYSA-N 1 0 312.442 3.654 10 0 DHAERO CCn1cc(C[NH2+]Cc2ccc3c(c2)OCO3)c2ccccc21 ZINC000020935118 182255117 /nfs/dbraw/zinc/25/51/17/182255117.db2.gz XNQFFNKKJUABTO-UHFFFAOYSA-N 1 0 308.381 3.680 10 0 DHAERO CCN(Cc1ccncc1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000022851424 182336697 /nfs/dbraw/zinc/33/66/97/182336697.db2.gz GVHXIMDYAAVWOH-OAQYLSRUSA-N 1 0 323.484 3.611 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1OC ZINC000022935884 182341986 /nfs/dbraw/zinc/34/19/86/182341986.db2.gz JIFSVNIQDNIJKC-CYBMUJFWSA-N 1 0 317.260 3.576 10 0 DHAERO CCC[C@@H](CCC[NH3+])Nc1cc(OC)cc2c(C)ccnc12 ZINC000026261851 182434223 /nfs/dbraw/zinc/43/42/23/182434223.db2.gz IYFHIGWKTHNMBE-AWEZNQCLSA-N 1 0 301.434 3.871 10 0 DHAERO Clc1ccc(-c2cc(OCCC[NH+]3CCCCC3)n[nH]2)cc1 ZINC000033890856 182725253 /nfs/dbraw/zinc/72/52/53/182725253.db2.gz IJKMZKAORXPIKH-UHFFFAOYSA-N 1 0 319.836 3.985 10 0 DHAERO C[C@H]([NH2+]Cc1cc2cccc3c2n(c1=O)CCC3)c1ccccc1 ZINC000039287248 183016394 /nfs/dbraw/zinc/01/63/94/183016394.db2.gz GGSXHLSSTKTVGE-HNNXBMFYSA-N 1 0 318.420 3.799 10 0 DHAERO Cc1cccc2c(C)cc3nnc(SCCC[NH+](C)C)n3c12 ZINC000040170423 183043650 /nfs/dbraw/zinc/04/36/50/183043650.db2.gz GCZFFDPDZUFXRW-UHFFFAOYSA-N 1 0 314.458 3.543 10 0 DHAERO CCC1CCN([C@H](C[NH3+])c2ccc(Br)s2)CC1 ZINC000042308238 183252202 /nfs/dbraw/zinc/25/22/02/183252202.db2.gz BPBZTEDMDBQCBL-LLVKDONJSA-N 1 0 317.296 3.632 10 0 DHAERO CCCCN([C@@H](C[NH3+])c1ccc(Br)s1)C1CC1 ZINC000042317755 183253353 /nfs/dbraw/zinc/25/33/53/183253353.db2.gz MORCWWKWKFVAMC-NSHDSACASA-N 1 0 317.296 3.775 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)CN1CCCC1)c1ccc(Br)cc1 ZINC000042597278 183289388 /nfs/dbraw/zinc/28/93/88/183289388.db2.gz IVOQSDUXWMBBAO-QWHCGFSZSA-N 1 0 311.267 3.584 10 0 DHAERO CN(Cc1cscn1)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000042862621 183315076 /nfs/dbraw/zinc/31/50/76/183315076.db2.gz NSSSNPZAHWGDJS-CYBMUJFWSA-N 1 0 316.257 3.582 10 0 DHAERO CN(Cc1cscn1)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042863894 183315194 /nfs/dbraw/zinc/31/51/94/183315194.db2.gz RYVMWXSMUHWMGN-ZDUSSCGKSA-N 1 0 316.257 3.582 10 0 DHAERO CCC[NH+](CCC)[C@@H](c1ccc(Br)cc1)[C@H](C)N ZINC000042952091 183320546 /nfs/dbraw/zinc/32/05/46/183320546.db2.gz ZYZOVBFLMSKELB-SWLSCSKDSA-N 1 0 313.283 3.959 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCCCCC1 ZINC000042951911 183321056 /nfs/dbraw/zinc/32/10/56/183321056.db2.gz NCHDALWPFGGLJU-IUODEOHRSA-N 1 0 311.267 3.713 10 0 DHAERO CC(C)CCN(C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954345 183321207 /nfs/dbraw/zinc/32/12/07/183321207.db2.gz HJPQRQLGEPHQPZ-IUODEOHRSA-N 1 0 313.283 3.815 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CC[C@H](C)C1 ZINC000042954116 183322292 /nfs/dbraw/zinc/32/22/92/183322292.db2.gz NLMCWRAYLMDOER-TUKIKUTGSA-N 1 0 311.267 3.569 10 0 DHAERO CC[C@H]([NH3+])[C@H](OCC(C)C)c1ccc(Br)cc1 ZINC000042957226 183322629 /nfs/dbraw/zinc/32/26/29/183322629.db2.gz JEQIQLMEIGFISJ-UONOGXRCSA-N 1 0 300.240 3.900 10 0 DHAERO CC(C)c1nccn1[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042955984 183322658 /nfs/dbraw/zinc/32/26/58/183322658.db2.gz UXPSGOUBYKCJQR-BXUZGUMPSA-N 1 0 322.250 3.706 10 0 DHAERO CC[C@@H]([NH3+])[C@H](OCC(C)C)c1ccc(Br)cc1 ZINC000042957229 183322815 /nfs/dbraw/zinc/32/28/15/183322815.db2.gz JEQIQLMEIGFISJ-ZIAGYGMSSA-N 1 0 300.240 3.900 10 0 DHAERO Cc1cccc([C@H](C[NH3+])Oc2ccc(Br)cc2)c1 ZINC000042968046 183324199 /nfs/dbraw/zinc/32/41/99/183324199.db2.gz KGLBQRAAZLMHOH-HNNXBMFYSA-N 1 0 306.203 3.836 10 0 DHAERO CC(C)CCCO[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043023529 183330928 /nfs/dbraw/zinc/33/09/28/183330928.db2.gz VGCPXRITXLLQEV-CQSZACIVSA-N 1 0 300.240 3.902 10 0 DHAERO Cc1ccccc1[C@@H](C[NH3+])Oc1ccc(F)cc1Br ZINC000043038270 183331989 /nfs/dbraw/zinc/33/19/89/183331989.db2.gz UJFVMPRAEABSFR-OAHLLOKOSA-N 1 0 324.193 3.975 10 0 DHAERO CC(C)CCCO[C@@H](C[NH3+])c1ccccc1Br ZINC000043095069 183337337 /nfs/dbraw/zinc/33/73/37/183337337.db2.gz IDUQUHRKTFQQHK-AWEZNQCLSA-N 1 0 300.240 3.902 10 0 DHAERO COc1ccccc1[C@@H](C[NH3+])Oc1cccc(Br)c1 ZINC000043099236 183338167 /nfs/dbraw/zinc/33/81/67/183338167.db2.gz SGHJKZPJEBVYMS-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)[C@@H](C)C1CC1 ZINC000043091718 183335812 /nfs/dbraw/zinc/33/58/12/183335812.db2.gz MISMDYADIQIGKU-JRPNMDOOSA-N 1 0 311.267 3.568 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CCCCCC1 ZINC000043090471 183336021 /nfs/dbraw/zinc/33/60/21/183336021.db2.gz BSDPHXQRYOIWOU-WFASDCNBSA-N 1 0 311.267 3.713 10 0 DHAERO CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075516 194183914 /nfs/dbraw/zinc/18/39/14/194183914.db2.gz XYUQUPPWVVSENT-MSOLQXFVSA-N 1 0 310.445 3.529 10 0 DHAERO C[C@H](c1ccc(F)cc1F)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106182395 194189120 /nfs/dbraw/zinc/18/91/20/194189120.db2.gz NQZPVYSVFKBECN-CYBMUJFWSA-N 1 0 305.372 3.635 10 0 DHAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3F)C2)n1 ZINC000106178057 194189877 /nfs/dbraw/zinc/18/98/77/194189877.db2.gz JCPILBNBEQPMTF-BBRMVZONSA-N 1 0 316.424 3.507 10 0 DHAERO CC[NH2+][C@@H]1CCC[C@H]1CCOc1cccc(Br)c1 ZINC000049597089 183745529 /nfs/dbraw/zinc/74/55/29/183745529.db2.gz YWNYMYZDXFJPDA-SWLSCSKDSA-N 1 0 312.251 3.996 10 0 DHAERO C[NH2+][C@@H](CCCOc1ccc(Br)cc1)C(C)C ZINC000049596900 183745641 /nfs/dbraw/zinc/74/56/41/183745641.db2.gz KXEJTZZCAWVVOT-AWEZNQCLSA-N 1 0 300.240 3.852 10 0 DHAERO [NH3+][C@@H](Cc1ccccc1)Cc1ccc(F)c(Br)c1 ZINC000049598988 183746691 /nfs/dbraw/zinc/74/66/91/183746691.db2.gz USNSIKHGULOSGX-ZDUSSCGKSA-N 1 0 308.194 3.701 10 0 DHAERO Cn1nc(C[NH2+]C(C)(C)CC(C)(C)C)c(-c2ccccc2)n1 ZINC000057353212 184035240 /nfs/dbraw/zinc/03/52/40/184035240.db2.gz BLBWKCJXMDTLPJ-UHFFFAOYSA-N 1 0 300.450 3.787 10 0 DHAERO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1 ZINC000057382208 184036779 /nfs/dbraw/zinc/03/67/79/184036779.db2.gz JNADZCYPXCYQEW-CYBMUJFWSA-N 1 0 302.805 3.938 10 0 DHAERO [NH3+]C[C@H](Cc1ccc(Br)cc1)c1cccc(F)c1 ZINC000057735917 184050196 /nfs/dbraw/zinc/05/01/96/184050196.db2.gz ZJWJZFZJTBHNAB-ZDUSSCGKSA-N 1 0 308.194 3.873 10 0 DHAERO CC[C@H]([NH2+]CCN(C)C1CC1)c1cccc(Br)c1 ZINC000061994457 184200371 /nfs/dbraw/zinc/20/03/71/184200371.db2.gz RXAZXNVMTWBSFA-HNNXBMFYSA-N 1 0 311.267 3.584 10 0 DHAERO COCCOc1c(Cl)cc(Cl)cc1C[NH2+]C(C)(C)C ZINC000062732864 184251565 /nfs/dbraw/zinc/25/15/65/184251565.db2.gz LZDHMDVFYHDRGT-UHFFFAOYSA-N 1 0 306.233 3.907 10 0 DHAERO C[NH2+][C@H](C)Cc1ccc(-c2ccc(Br)cc2F)o1 ZINC000062770772 184253281 /nfs/dbraw/zinc/25/32/81/184253281.db2.gz OLVJOGPZSMWUSF-SECBINFHSA-N 1 0 312.182 3.999 10 0 DHAERO Cc1cc(Br)ccc1O[C@H](C)C[NH2+]CC(C)C ZINC000063062514 184269102 /nfs/dbraw/zinc/26/91/02/184269102.db2.gz YBYQEVQJWZOTFW-GFCCVEGCSA-N 1 0 300.240 3.770 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CCCC1(C)C ZINC000063065776 184269279 /nfs/dbraw/zinc/26/92/79/184269279.db2.gz JKFBQIHLNHRHAT-SKDRFNHKSA-N 1 0 317.296 3.773 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CCCC1(C)C ZINC000063065908 184269383 /nfs/dbraw/zinc/26/93/83/184269383.db2.gz PBSVBVLICXSDGI-SKDRFNHKSA-N 1 0 317.296 3.773 10 0 DHAERO COc1cc(Cl)c(C[NH2+]Cc2ccc(C)cc2)cc1OC ZINC000066148071 184393119 /nfs/dbraw/zinc/39/31/19/184393119.db2.gz BUUZPHGPZGAKBS-UHFFFAOYSA-N 1 0 305.805 3.955 10 0 DHAERO Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193658988 335051509 /nfs/dbraw/zinc/05/15/09/335051509.db2.gz ARMVVMJMBSLTRY-CXAGYDPISA-N 1 0 322.408 3.765 10 0 DHAERO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)[C@H]1C ZINC000238855817 257260211 /nfs/dbraw/zinc/26/02/11/257260211.db2.gz SUMRNPXVOUVXAY-VYDXJSESSA-N 1 0 318.461 3.810 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1ccc(Cl)cn1 ZINC000274920177 130272787 /nfs/dbraw/zinc/27/27/87/130272787.db2.gz OYTKNZITOYSGNH-UONOGXRCSA-N 1 0 304.821 3.991 10 0 DHAERO Cc1ccc(CN(C)CC[C@H]([NH3+])C(C)C)c(Br)c1 ZINC000164128243 132129963 /nfs/dbraw/zinc/12/99/63/132129963.db2.gz MTPPLLWAOYFLQP-HNNXBMFYSA-N 1 0 313.283 3.563 10 0 DHAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC(C)(C)C1 ZINC000180231111 331564518 /nfs/dbraw/zinc/56/45/18/331564518.db2.gz VLNOIFNCQLLUHH-SQNIBIBYSA-N 1 0 320.521 3.926 10 0 DHAERO CSc1ccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000130041940 332022101 /nfs/dbraw/zinc/02/21/01/332022101.db2.gz VKRPCPJUZJESKC-WBMJQRKESA-N 1 0 300.427 3.683 10 0 DHAERO C[C@H](C(=O)Nc1ccc(Cl)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000130204486 332023299 /nfs/dbraw/zinc/02/32/99/332023299.db2.gz MNDNMTQNBFHZNJ-BONVTDFDSA-N 1 0 306.768 3.754 10 0 DHAERO c1cncc(-c2cccc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)c2)c1 ZINC000091978950 332116274 /nfs/dbraw/zinc/11/62/74/332116274.db2.gz OTVMBXYVKPGXSC-PMACEKPBSA-N 1 0 308.425 3.892 10 0 DHAERO C[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000040852293 332205337 /nfs/dbraw/zinc/20/53/37/332205337.db2.gz ZZTZOAGVBNSHQX-LRDDRELGSA-N 1 0 302.805 3.607 10 0 DHAERO Cc1ccc([C@H](C)NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000261848262 332504399 /nfs/dbraw/zinc/50/43/99/332504399.db2.gz ZQNKROCZNURFHQ-BXWFABGCSA-N 1 0 310.441 3.817 10 0 DHAERO COCOc1ccc(OC)cc1C[NH2+][C@@H](C)c1ccccc1C ZINC000163375338 332959283 /nfs/dbraw/zinc/95/92/83/332959283.db2.gz QUTNYZOWXKQDRN-HNNXBMFYSA-N 1 0 315.413 3.837 10 0 DHAERO C[C@H]([NH2+]CCOc1cc(Cl)cc(Cl)c1)[C@@H]1CCCO1 ZINC000053588900 332983663 /nfs/dbraw/zinc/98/36/63/332983663.db2.gz HKYPLMXGKQEQQZ-HZMBPMFUSA-N 1 0 304.217 3.529 10 0 DHAERO C[C@H]1CC(C[NH2+]Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000466412360 333019079 /nfs/dbraw/zinc/01/90/79/333019079.db2.gz OXSWSAWVEGDLKC-RYUDHWBXSA-N 1 0 312.251 3.742 10 0 DHAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000180136534 333027241 /nfs/dbraw/zinc/02/72/41/333027241.db2.gz JZPHQJKTQJMQGY-CVEARBPZSA-N 1 0 323.440 3.829 10 0 DHAERO C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1F ZINC000183213135 333053137 /nfs/dbraw/zinc/05/31/37/333053137.db2.gz ZYJRDIXLAASEJV-CXAGYDPISA-N 1 0 304.384 3.918 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccccc1Cl)CC2 ZINC000171981359 333056848 /nfs/dbraw/zinc/05/68/48/333056848.db2.gz CIQKSSDKIGIMFG-CHWSQXEVSA-N 1 0 318.852 3.721 10 0 DHAERO C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)c1cccnc1 ZINC000112537083 333093819 /nfs/dbraw/zinc/09/38/19/333093819.db2.gz HEWSEAVALFVYKB-FXAWDEMLSA-N 1 0 309.457 3.787 10 0 DHAERO OC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1c1ccsc1 ZINC000188124354 333241842 /nfs/dbraw/zinc/24/18/42/333241842.db2.gz CJCLPCXQPYDWOH-HOCLYGCPSA-N 1 0 307.846 3.609 10 0 DHAERO Brc1cccc(CN2CC[NH2+]Cc3ccccc32)c1 ZINC000062818140 333337426 /nfs/dbraw/zinc/33/74/26/333337426.db2.gz DVCQVXVIEXBANQ-UHFFFAOYSA-N 1 0 317.230 3.559 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000040502179 333353376 /nfs/dbraw/zinc/35/33/76/333353376.db2.gz LIUMMTFHNHPCGQ-STQMWFEESA-N 1 0 300.368 3.840 10 0 DHAERO C[C@H]([NH3+])[C@H]1CCCCN1CCOc1ccc(Cl)cc1Cl ZINC000063195708 333446573 /nfs/dbraw/zinc/44/65/73/333446573.db2.gz NVGCNOJSNXYQFH-SMDDNHRTSA-N 1 0 317.260 3.574 10 0 DHAERO FC(F)(F)OCCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000096308361 333474951 /nfs/dbraw/zinc/47/49/51/333474951.db2.gz LGNVLYVVPNDIDT-UHFFFAOYSA-N 1 0 301.230 3.722 10 0 DHAERO [NH3+]C1(c2noc([C@@H]3CCC[C@@H](C(F)(F)F)C3)n2)CCCC1 ZINC000216404399 333488299 /nfs/dbraw/zinc/48/82/99/333488299.db2.gz UBULSIYMZZIIJH-NXEZZACHSA-N 1 0 303.328 3.634 10 0 DHAERO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)c1cccs1 ZINC000184412046 334077831 /nfs/dbraw/zinc/07/78/31/334077831.db2.gz YFEIIPQUNFCYJZ-AWEZNQCLSA-N 1 0 311.495 3.573 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1ccc(Cl)s1 ZINC000049129485 334314919 /nfs/dbraw/zinc/31/49/19/334314919.db2.gz KSEVGVZHQDSHCE-MNOVXSKESA-N 1 0 314.882 3.890 10 0 DHAERO CCc1cc(N2CCC[C@@H]2c2cnn(C)c2)c2ccccc2[nH+]1 ZINC000124617812 334769810 /nfs/dbraw/zinc/76/98/10/334769810.db2.gz MXINMCUFSWLUJT-GOSISDBHSA-N 1 0 306.413 3.872 10 0 DHAERO COC(=O)C1CCC([NH2+][C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000192446067 336032942 /nfs/dbraw/zinc/03/29/42/336032942.db2.gz CVGXRCSITFCKDO-HKLFFYFNSA-N 1 0 301.430 3.946 10 0 DHAERO C=Cn1cc(C[NH2+][C@@H](C)c2cccc(Br)c2)cn1 ZINC000194345184 336227526 /nfs/dbraw/zinc/22/75/26/336227526.db2.gz FXNMELPSLSSHJO-NSHDSACASA-N 1 0 306.207 3.597 10 0 DHAERO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1cccc(Cl)c1 ZINC000192931369 336284691 /nfs/dbraw/zinc/28/46/91/336284691.db2.gz QCMQMORLJSRWPB-SWLSCSKDSA-N 1 0 323.795 3.570 10 0 DHAERO COCCCOC1CCN(c2cc[nH+]c3c(C)cccc23)CC1 ZINC000301639033 336319969 /nfs/dbraw/zinc/31/99/69/336319969.db2.gz AUHAHWDHKFNALK-UHFFFAOYSA-N 1 0 314.429 3.565 10 0 DHAERO Cc1cc(N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c2cc(F)ccc2[nH+]1 ZINC000301672996 336322627 /nfs/dbraw/zinc/32/26/27/336322627.db2.gz OQFXCUBWHFIZRQ-VHSSKADRSA-N 1 0 314.404 3.932 10 0 DHAERO Cc1cccc2c(NCc3cccc(-c4nc[nH]n4)c3)cc[nH+]c12 ZINC000301675322 336322653 /nfs/dbraw/zinc/32/26/53/336322653.db2.gz PMUQUWXEZNVAAL-UHFFFAOYSA-N 1 0 315.380 3.940 10 0 DHAERO Cc1cccc2c(N[C@@H]3CCN(c4ncccc4F)C3)cc[nH+]c12 ZINC000301675363 336322731 /nfs/dbraw/zinc/32/27/31/336322731.db2.gz PONLWJITFADDAM-CQSZACIVSA-N 1 0 322.387 3.768 10 0 DHAERO Cc1cccc2c(NCCc3nc(-c4ccco4)n[nH]3)cc[nH+]c12 ZINC000301690922 336323812 /nfs/dbraw/zinc/32/38/12/336323812.db2.gz WNDUFGVCCSKZOU-UHFFFAOYSA-N 1 0 319.368 3.576 10 0 DHAERO C[C@@H]([NH2+]Cc1ccc2ccccc2n1)[C@@H]1COc2ccccc21 ZINC000169107616 337080774 /nfs/dbraw/zinc/08/07/74/337080774.db2.gz XMLBXIHQMWACCS-KDOFPFPSSA-N 1 0 304.393 3.889 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000171521353 337087756 /nfs/dbraw/zinc/08/77/56/337087756.db2.gz CAYQSLAZDUWRQV-YOEHRIQHSA-N 1 0 301.409 3.983 10 0 DHAERO C[C@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CCS1 ZINC000171694941 337088641 /nfs/dbraw/zinc/08/86/41/337088641.db2.gz GFSWMQCKZUYSOH-AWEZNQCLSA-N 1 0 314.454 3.606 10 0 DHAERO c1ccc2nc(CN3CCC[N@@H+](C4CCCC4)CC3)ccc2c1 ZINC000172580567 337130079 /nfs/dbraw/zinc/13/00/79/337130079.db2.gz MBPYBDFNMDCRNF-UHFFFAOYSA-N 1 0 309.457 3.685 10 0 DHAERO Cc1csc([C@H]2CCC[N@@H+](Cc3ccccc3N(C)C)C2)n1 ZINC000173602609 337136733 /nfs/dbraw/zinc/13/67/33/337136733.db2.gz ZFLNSMGQPLSCHU-INIZCTEOSA-N 1 0 315.486 3.897 10 0 DHAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCCc3ccccc31)CC2 ZINC000174850466 337144903 /nfs/dbraw/zinc/14/49/03/337144903.db2.gz AUCVCGDNKORKFO-FUHWJXTLSA-N 1 0 324.472 3.774 10 0 DHAERO COc1cccc([C@H](C)[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000175652734 337146867 /nfs/dbraw/zinc/14/68/67/337146867.db2.gz YGFDPNIAEJFCQD-KBXCAEBGSA-N 1 0 313.445 3.944 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(Cl)c1Cl ZINC000177005663 337152762 /nfs/dbraw/zinc/15/27/62/337152762.db2.gz AGNDDCCZDOKIEP-LLVKDONJSA-N 1 0 315.244 3.550 10 0 DHAERO Cc1oc2nc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)nc(N)c2c1C ZINC000177989195 337159648 /nfs/dbraw/zinc/15/96/48/337159648.db2.gz UEXOUPCRPHCBKJ-KBPBESRZSA-N 1 0 314.433 3.576 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000178034451 337159926 /nfs/dbraw/zinc/15/99/26/337159926.db2.gz KHHURBQCKPELKW-IRXDYDNUSA-N 1 0 316.832 3.673 10 0 DHAERO Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC000178320174 337163897 /nfs/dbraw/zinc/16/38/97/337163897.db2.gz ZSSVZSOQXSDWAM-HUUCEWRRSA-N 1 0 310.397 3.853 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)CC2 ZINC000179682471 337171106 /nfs/dbraw/zinc/17/11/06/337171106.db2.gz LXFHXGCWJXLNMT-MNOVXSKESA-N 1 0 324.881 3.782 10 0 DHAERO Cn1cc([C@H]2CC[N@H+](CC3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000185515386 337248779 /nfs/dbraw/zinc/24/87/79/337248779.db2.gz BKYWQTCGBARKEF-OWYJLGKBSA-N 1 0 315.383 3.578 10 0 DHAERO c1ccc2c(c1)CO[C@]21CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000186452038 337256409 /nfs/dbraw/zinc/25/64/09/337256409.db2.gz RLBKSKRJOMZLEH-NRFANRHFSA-N 1 0 316.404 3.866 10 0 DHAERO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2C)cc1OC ZINC000187421111 337265924 /nfs/dbraw/zinc/26/59/24/337265924.db2.gz PVGAZIDIUGATDI-ZDUSSCGKSA-N 1 0 300.402 3.566 10 0 DHAERO C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188102589 337270875 /nfs/dbraw/zinc/27/08/75/337270875.db2.gz ZTJQAMKRVUSTGZ-BNOWGMLFSA-N 1 0 323.408 3.795 10 0 DHAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C12CCOCC2 ZINC000188725196 337274588 /nfs/dbraw/zinc/27/45/88/337274588.db2.gz JFSJMOUSGLWMLD-MOPGFXCFSA-N 1 0 315.457 3.628 10 0 DHAERO CCc1csc([C@H]2CCC[N@H+](Cc3ccc(F)nc3)C2)n1 ZINC000189315122 337278720 /nfs/dbraw/zinc/27/87/20/337278720.db2.gz XKCVLBZZGRDUOU-ZDUSSCGKSA-N 1 0 305.422 3.619 10 0 DHAERO Cc1cccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1C ZINC000190287592 337286409 /nfs/dbraw/zinc/28/64/09/337286409.db2.gz MKZDENIHOZLCKX-ROUUACIJSA-N 1 0 301.455 3.573 10 0 DHAERO C[C@@H]([NH3+])c1cccc(-c2cncn2CCc2ccc(F)cc2)c1 ZINC000584595203 337374010 /nfs/dbraw/zinc/37/40/10/337374010.db2.gz PKAMDCFTEONSRH-CQSZACIVSA-N 1 0 309.388 3.952 10 0 DHAERO O=C(Nc1ccc(CC2C[NH2+]C2)cc1)Nc1cccc(Cl)c1 ZINC000584649112 337380513 /nfs/dbraw/zinc/38/05/13/337380513.db2.gz VVMMQZZRUKACHS-UHFFFAOYSA-N 1 0 315.804 3.746 10 0 DHAERO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@H](C)[NH3+] ZINC000399508985 337392975 /nfs/dbraw/zinc/39/29/75/337392975.db2.gz KYUFFNAJAVSBMJ-PKFCDNJMSA-N 1 0 317.260 3.790 10 0 DHAERO C[NH+](C)C[C@H](NC(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000124815865 337407663 /nfs/dbraw/zinc/40/76/63/337407663.db2.gz OHWSYDWRESJHTE-HNNXBMFYSA-N 1 0 320.795 3.512 10 0 DHAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000248833965 337567810 /nfs/dbraw/zinc/56/78/10/337567810.db2.gz GCQUZKCXOIZHKN-HZSPNIEDSA-N 1 0 324.350 3.605 10 0 DHAERO COc1ccccc1C[C@@H]([NH2+]CCc1ccc(C)nc1)C(C)C ZINC000161635729 337595512 /nfs/dbraw/zinc/59/55/12/337595512.db2.gz WUGGQZMNSGNNIT-LJQANCHMSA-N 1 0 312.457 3.798 10 0 DHAERO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000261684962 337608537 /nfs/dbraw/zinc/60/85/37/337608537.db2.gz DOHMZYBVMOYQFO-LMFCIFFHSA-N 1 0 322.452 3.529 10 0 DHAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000261766981 337610143 /nfs/dbraw/zinc/61/01/43/337610143.db2.gz OCGHOHPQYXGXTG-RKVPGOIHSA-N 1 0 318.436 3.548 10 0 DHAERO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261830505 337611304 /nfs/dbraw/zinc/61/13/04/337611304.db2.gz UAGPPDOMMQRULX-ATZDWAIDSA-N 1 0 314.473 3.751 10 0 DHAERO C[C@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000261912450 337612467 /nfs/dbraw/zinc/61/24/67/337612467.db2.gz XRLLJBHPFNLBOD-RXQRSOPUSA-N 1 0 314.473 3.546 10 0 DHAERO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261977581 337613654 /nfs/dbraw/zinc/61/36/54/337613654.db2.gz LXWCOLQQIODFBD-AWEZNQCLSA-N 1 0 320.820 3.594 10 0 DHAERO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000057382202 337859405 /nfs/dbraw/zinc/85/94/05/337859405.db2.gz QCRQOFZRABYWAS-ZDUSSCGKSA-N 1 0 302.805 3.938 10 0 DHAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccccc1Cl)C(C)C)CC2 ZINC000091318053 337891915 /nfs/dbraw/zinc/89/19/15/337891915.db2.gz BMFAEENOFOMAJW-GUYCJALGSA-N 1 0 318.852 3.542 10 0 DHAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccc1Br ZINC000085976968 338012882 /nfs/dbraw/zinc/01/28/82/338012882.db2.gz MDQRULHJNKUOJA-HUBLWGQQSA-N 1 0 312.251 3.651 10 0 DHAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cc(Br)ccc1F ZINC000149574633 338117217 /nfs/dbraw/zinc/11/72/17/338117217.db2.gz CVPHXRLQAGYNSQ-BHDSKKPTSA-N 1 0 316.214 3.806 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccccc1Br ZINC000153739724 338229542 /nfs/dbraw/zinc/22/95/42/338229542.db2.gz ZBBXPUXLMJLIFX-ZOWXZIJZSA-N 1 0 312.251 3.651 10 0 DHAERO C[C@@H]1CC(C[NH2+]Cc2cccc(Br)c2)C[C@@H](C)O1 ZINC000466425189 339204402 /nfs/dbraw/zinc/20/44/02/339204402.db2.gz KWWWEVXHEYBLCO-VXGBXAGGSA-N 1 0 312.251 3.742 10 0 DHAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000183531911 340488264 /nfs/dbraw/zinc/48/82/64/340488264.db2.gz LVJUOHRJRBBJMS-ZIAGYGMSSA-N 1 0 305.418 3.568 10 0 DHAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1c1cccs1 ZINC000194194699 340590020 /nfs/dbraw/zinc/59/00/20/340590020.db2.gz LTCNOYCJMMCMDD-GJZGRUSLSA-N 1 0 323.506 3.571 10 0 DHAERO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000123934481 340796261 /nfs/dbraw/zinc/79/62/61/340796261.db2.gz ZIGOCBZBRIQGDU-CYBMUJFWSA-N 1 0 307.825 3.594 10 0 DHAERO CCO[C@H](C)c1noc(CN[C@@H](C)c2ccc(Cl)s2)n1 ZINC000130331516 341017210 /nfs/dbraw/zinc/01/72/10/341017210.db2.gz KUHLHBNDDLNOAT-DTWKUNHWSA-N 1 0 315.826 3.733 10 0 DHAERO CC[N@@H+]1CC[C@H](N[C@@H]2CC(C)(C)Oc3ccccc32)[C@H](C)C1 ZINC000133013915 341151850 /nfs/dbraw/zinc/15/18/50/341151850.db2.gz ZWAKPUPJDPABBH-HYVNUMGLSA-N 1 0 302.462 3.609 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000245428436 341293213 /nfs/dbraw/zinc/29/32/13/341293213.db2.gz XFXVJHWOZKIYGD-CZUORRHYSA-N 1 0 323.868 3.527 10 0 DHAERO O=C(CC[C@H]1CCC[NH2+]1)N(Cc1ccccc1)c1ccccc1 ZINC000261541406 341294808 /nfs/dbraw/zinc/29/48/08/341294808.db2.gz FUGWRTWTJYHRJT-GOSISDBHSA-N 1 0 308.425 3.752 10 0 DHAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000245921167 341318308 /nfs/dbraw/zinc/31/83/08/341318308.db2.gz MFARAZIDHHFDAK-VDGAXYAQSA-N 1 0 322.452 3.544 10 0 DHAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000246141481 341329190 /nfs/dbraw/zinc/32/91/90/341329190.db2.gz BAOPNLVZODRHPI-RDTXWAMCSA-N 1 0 311.429 3.690 10 0 DHAERO CC(C)c1ccccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246283992 341339957 /nfs/dbraw/zinc/33/99/57/341339957.db2.gz BUDFKWNDIKQLHS-RHSMWYFYSA-N 1 0 303.450 3.660 10 0 DHAERO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246335210 341342634 /nfs/dbraw/zinc/34/26/34/341342634.db2.gz DWPKFFDOUULOCJ-LLGFUMIMSA-N 1 0 324.468 3.553 10 0 DHAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCCCc1cccs1 ZINC000247100824 341361003 /nfs/dbraw/zinc/36/10/03/341361003.db2.gz IKSBYZQIDXBXAV-HOTGVXAUSA-N 1 0 320.502 3.546 10 0 DHAERO CC(C)Sc1ccccc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247346204 341363815 /nfs/dbraw/zinc/36/38/15/341363815.db2.gz NUABABBSVCRRMM-GDBMZVCRSA-N 1 0 320.502 3.646 10 0 DHAERO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000248450694 341378098 /nfs/dbraw/zinc/37/80/98/341378098.db2.gz FRMOLTXTTCUQPY-IKGGRYGDSA-N 1 0 316.493 3.968 10 0 DHAERO Cc1ccc([C@H]([NH2+][C@H](C)C[S@@](C)=O)c2ccccc2)c(C)c1 ZINC000248492137 341378772 /nfs/dbraw/zinc/37/87/72/341378772.db2.gz OJMGSELRIJOMJA-ZWDAVXSWSA-N 1 0 315.482 3.749 10 0 DHAERO C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC(C)(C)C1 ZINC000248606552 341381119 /nfs/dbraw/zinc/38/11/19/341381119.db2.gz VLNOIFNCQLLUHH-KZNAEPCWSA-N 1 0 320.521 3.926 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cc(Br)cs1 ZINC000248747529 341385761 /nfs/dbraw/zinc/38/57/61/341385761.db2.gz UBUDQGONJKRLLD-JBLDHEPKSA-N 1 0 318.280 3.712 10 0 DHAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCc1nnc(-c3ccccc3)o1)CC2 ZINC000090658818 341418223 /nfs/dbraw/zinc/41/82/23/341418223.db2.gz LTYNTIHMBCWBCQ-SFHVURJKSA-N 1 0 319.408 3.865 10 0 DHAERO C[C@H]([NH2+]CCn1cncn1)c1ccc(Cl)c(Cl)c1Cl ZINC000268810649 341604292 /nfs/dbraw/zinc/60/42/92/341604292.db2.gz IXLYDKCBTLBSMY-QMMMGPOBSA-N 1 0 319.623 3.589 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)COCc2ccccc2)C12CCC2 ZINC000344079770 341858159 /nfs/dbraw/zinc/85/81/59/341858159.db2.gz UOTQVURRMXZHIW-CGTJXYLNSA-N 1 0 303.446 3.529 10 0 DHAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(Cl)sc2Cl)C1 ZINC000158967983 519692013 /nfs/dbraw/zinc/69/20/13/519692013.db2.gz KXUXBEVMSVAHSI-SCZZXKLOSA-N 1 0 321.273 3.513 10 0 DHAERO CC(=O)NC1CCC([NH2+][C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000155234772 519645565 /nfs/dbraw/zinc/64/55/65/519645565.db2.gz KKGVATXALJZLCY-FGAHCWIFSA-N 1 0 300.446 3.662 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CC[C@@H](C)c3ccccc31)CC2 ZINC000180520599 519897182 /nfs/dbraw/zinc/89/71/82/519897182.db2.gz PUZHMDNGPJQEOT-RKVPGOIHSA-N 1 0 324.472 3.945 10 0 DHAERO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000154355055 521423674 /nfs/dbraw/zinc/42/36/74/521423674.db2.gz SKOFGKKPZJGPSO-NSHDSACASA-N 1 0 316.367 3.648 10 0 DHAERO CCSc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000172214164 521768385 /nfs/dbraw/zinc/76/83/85/521768385.db2.gz YOGWFIBQPLIOQH-HNNXBMFYSA-N 1 0 319.474 3.501 10 0 DHAERO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2C)C1 ZINC000182228501 523648038 /nfs/dbraw/zinc/64/80/38/523648038.db2.gz SVGOLOAOBKJQIN-MLXHGGNNSA-N 1 0 305.487 3.589 10 0 DHAERO CN(C(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000226459695 523882783 /nfs/dbraw/zinc/88/27/83/523882783.db2.gz FMPQETVVRPLEMX-LLVKDONJSA-N 1 0 316.232 3.599 10 0 DHAERO Cc1cccc(C(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c2cccc(C)c2)c1 ZINC000237923518 524243060 /nfs/dbraw/zinc/24/30/60/524243060.db2.gz DRHWCIDQLCXDHM-MOPGFXCFSA-N 1 0 322.452 3.636 10 0 DHAERO Cc1ccc(CC[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000124319022 524321634 /nfs/dbraw/zinc/32/16/34/524321634.db2.gz MJBLQEZCWBGUIE-GOSISDBHSA-N 1 0 324.472 3.693 10 0 DHAERO C[C@@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000156125124 524380859 /nfs/dbraw/zinc/38/08/59/524380859.db2.gz MHYOTTFMVAQKMS-KCQAQPDRSA-N 1 0 308.853 3.543 10 0 DHAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)s1 ZINC000130260283 525676608 /nfs/dbraw/zinc/67/66/08/525676608.db2.gz WLHAFSNYFLJVJM-NEPJUHHUSA-N 1 0 322.865 3.511 10 0 DHAERO Cc1ccc([C@H](C)[NH2+]CCCc2nc(-c3ccccc3)no2)o1 ZINC000183091736 525920908 /nfs/dbraw/zinc/92/09/08/525920908.db2.gz XXRNYHARBFKBGP-AWEZNQCLSA-N 1 0 311.385 3.921 10 0 DHAERO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116319026 526046922 /nfs/dbraw/zinc/04/69/22/526046922.db2.gz AZKLWGLPSOOPPD-OCCSQVGLSA-N 1 0 323.362 3.989 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc(OC(C)C)c3)C2)c1 ZINC000106221118 526266041 /nfs/dbraw/zinc/26/60/41/526266041.db2.gz INWWSAFSALVEPD-GOSISDBHSA-N 1 0 313.445 3.816 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccccc3OC(C)C)C2)c1 ZINC000106219881 526266066 /nfs/dbraw/zinc/26/60/66/526266066.db2.gz PYFJQMCTMFBOQQ-GOSISDBHSA-N 1 0 313.445 3.816 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@H+](CCSc3ccccc3F)C2)c1 ZINC000106224004 526266220 /nfs/dbraw/zinc/26/62/20/526266220.db2.gz DKLATAOJZOYZMA-OAHLLOKOSA-N 1 0 319.449 3.760 10 0 DHAERO Cn1cc([C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3)C2)cn1 ZINC000128414564 527301442 /nfs/dbraw/zinc/30/14/42/527301442.db2.gz USXJXWBFHBEHJY-GFCCVEGCSA-N 1 0 310.228 3.716 10 0 DHAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000154952789 527356351 /nfs/dbraw/zinc/35/63/51/527356351.db2.gz CVVCHSMGKVTLTJ-XJKSGUPXSA-N 1 0 320.864 3.743 10 0 DHAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000246727616 527365013 /nfs/dbraw/zinc/36/50/13/527365013.db2.gz YCTVJUXPXIHGCP-DJIMGWMZSA-N 1 0 320.864 3.815 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC000180132026 527441072 /nfs/dbraw/zinc/44/10/72/527441072.db2.gz UHGDXASAJHORBN-AWEZNQCLSA-N 1 0 307.800 3.649 10 0 DHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1 ZINC000675055593 563909951 /nfs/dbraw/zinc/90/99/51/563909951.db2.gz VPMWPIUETPCXLE-ZIAGYGMSSA-N 1 0 310.825 3.739 10 0 DHAERO O[C@@]12CCCC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)[NH2+]CC2 ZINC000002749505 563312283 /nfs/dbraw/zinc/31/22/83/563312283.db2.gz INWMRQARFUAODH-BPLDGKMQSA-N 1 0 300.229 3.949 10 0 DHAERO c1cn(CCC[NH2+]Cc2ccccc2OCc2ccccc2)cn1 ZINC000010313979 563355913 /nfs/dbraw/zinc/35/59/13/563355913.db2.gz MUNVTHGWFITMAN-UHFFFAOYSA-N 1 0 321.424 3.642 10 0 DHAERO CCOc1c(C[NH2+][C@@H](C)CC)cc(Br)cc1OC ZINC000010474902 563357598 /nfs/dbraw/zinc/35/75/98/563357598.db2.gz MFBYHTJSWLEXJK-JTQLQIEISA-N 1 0 316.239 3.745 10 0 DHAERO CCC(C)(C)[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000013724888 563388304 /nfs/dbraw/zinc/38/83/04/563388304.db2.gz PAKQONVKVFDZCY-UHFFFAOYSA-N 1 0 316.239 3.745 10 0 DHAERO COc1cc(C[NH2+]C(C)C)cc(Br)c1OC(C)C ZINC000036815082 563457153 /nfs/dbraw/zinc/45/71/53/563457153.db2.gz KEIOMCFTYHHOKM-UHFFFAOYSA-N 1 0 316.239 3.743 10 0 DHAERO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC[N@@H+]1Cc1ccccc1 ZINC000068592920 563495064 /nfs/dbraw/zinc/49/50/64/563495064.db2.gz XMRUFXRESHLTCT-ZMSDIMECSA-N 1 0 318.461 3.810 10 0 DHAERO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000068593037 563495331 /nfs/dbraw/zinc/49/53/31/563495331.db2.gz WZVGIPUTVFCAAB-YQQAZPJKSA-N 1 0 318.461 3.810 10 0 DHAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000724098168 563496572 /nfs/dbraw/zinc/49/65/72/563496572.db2.gz CTHLKEGCQWVSMN-DYVFJYSZSA-N 1 0 322.474 3.556 10 0 DHAERO Fc1cc([C@H]([NH2+]C2CC2)C2CC2)c(F)cc1Br ZINC000725243717 563525512 /nfs/dbraw/zinc/52/55/12/563525512.db2.gz DYVQXOGJLXYLTJ-CYBMUJFWSA-N 1 0 302.162 3.930 10 0 DHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1cccc(Cl)c1 ZINC000675052424 563780544 /nfs/dbraw/zinc/78/05/44/563780544.db2.gz AFUBPSKHCFJUFG-KBPBESRZSA-N 1 0 310.825 3.739 10 0 DHAERO Cc1cc(C)cc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675052780 563855928 /nfs/dbraw/zinc/85/59/28/563855928.db2.gz FCLOVKJKIGZFJS-JKSUJKDBSA-N 1 0 304.434 3.621 10 0 DHAERO CC[C@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101978 563893533 /nfs/dbraw/zinc/89/35/33/563893533.db2.gz FLTKBGUGRVNNJA-IBGZPJMESA-N 1 0 301.405 3.907 10 0 DHAERO c1ccc2[nH]c(SC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)nc2c1 ZINC000008775432 563927458 /nfs/dbraw/zinc/92/74/58/563927458.db2.gz AVHMUPJYYXTAQW-XJKSGUPXSA-N 1 0 301.459 3.920 10 0 DHAERO Brc1csc([C@@H]2[NH2+]CCc3ccsc32)c1 ZINC000712574566 563961826 /nfs/dbraw/zinc/96/18/26/563961826.db2.gz YPFMHVBTEHCDDS-JTQLQIEISA-N 1 0 300.246 3.807 10 0 DHAERO CN(Cc1ncc(-c2ccccc2Cl)o1)[C@@H]1CCSC1 ZINC000089936596 1032372803 /nfs/dbraw/zinc/37/28/03/1032372803.db2.gz QYNPMKMARHUKAV-LLVKDONJSA-N 1 0 308.834 3.932 10 0 DHAERO c1cnn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc3ccccc3n2)c1 ZINC000072744845 1030581152 /nfs/dbraw/zinc/58/11/52/1030581152.db2.gz ANVPPIIPPSHKRC-RTBURBONSA-N 1 0 306.413 3.705 10 0 DHAERO CC(C)[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000079960256 1031246434 /nfs/dbraw/zinc/24/64/34/1031246434.db2.gz PFNRLVLEYVKPLH-IBGZPJMESA-N 1 0 314.473 3.513 10 0 DHAERO COc1ccccc1C[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)C(C)C ZINC000090084640 185281137 /nfs/dbraw/zinc/28/11/37/185281137.db2.gz FMCPLZMSULAQQO-WBVHZDCISA-N 1 0 307.478 3.649 10 0 DHAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000090227194 185287567 /nfs/dbraw/zinc/28/75/67/185287567.db2.gz BWYWLRFXVRROOK-MSOLQXFVSA-N 1 0 312.461 3.668 10 0 DHAERO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000236706310 201974072 /nfs/dbraw/zinc/97/40/72/201974072.db2.gz KSWVHBSAYLCVNI-SFHVURJKSA-N 1 0 316.401 3.565 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)Nc1cccc(OCc2ccccc2C)c1 ZINC000236812288 202022072 /nfs/dbraw/zinc/02/20/72/202022072.db2.gz NBQDGFULBNXEGW-GOSISDBHSA-N 1 0 312.413 3.640 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc(SC)cc2)cs1 ZINC000236816733 202023535 /nfs/dbraw/zinc/02/35/35/202023535.db2.gz KRFPOSKBROWVNY-GFCCVEGCSA-N 1 0 321.471 3.598 10 0 DHAERO C[C@@H]1C[C@H]([NH2+]C(C)(C)C)CCN1C(=O)OCc1ccccc1 ZINC000073657108 191337479 /nfs/dbraw/zinc/33/74/79/191337479.db2.gz GWVBCAIXEQPTDQ-GDBMZVCRSA-N 1 0 304.434 3.564 10 0 DHAERO C[C@@H]1CN(C(=O)Oc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1 ZINC000073655254 191338147 /nfs/dbraw/zinc/33/81/47/191338147.db2.gz JANPZMRGLPTFBP-VQIMIIECSA-N 1 0 324.424 3.686 10 0 DHAERO C[C@@H]1CN(C(=O)Oc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000073655249 191338447 /nfs/dbraw/zinc/33/84/47/191338447.db2.gz JANPZMRGLPTFBP-APWZRJJASA-N 1 0 324.424 3.686 10 0 DHAERO CCC(CC)(CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000236869319 202044651 /nfs/dbraw/zinc/04/46/51/202044651.db2.gz GDXNJQHEWSFJHA-XJKSGUPXSA-N 1 0 322.880 3.641 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000236906083 202063225 /nfs/dbraw/zinc/06/32/25/202063225.db2.gz QXNSCCMKGLIMJQ-IAGOWNOFSA-N 1 0 302.462 3.775 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000236959248 202094367 /nfs/dbraw/zinc/09/43/67/202094367.db2.gz QDHYBXYYWSJHKV-NSHDSACASA-N 1 0 309.822 3.529 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000237001667 202116745 /nfs/dbraw/zinc/11/67/45/202116745.db2.gz SVOJSIKIACZOGR-VQIMIIECSA-N 1 0 322.408 3.766 10 0 DHAERO C[N@@H+]1CCc2cc(Cl)ccc2[C@H](c2cccc3c2OCC3)C1 ZINC000005966889 181302461 /nfs/dbraw/zinc/30/24/61/181302461.db2.gz MAUFEMWATYGIAF-GOSISDBHSA-N 1 0 313.828 3.895 10 0 DHAERO Fc1ccc(-c2c[nH]c(C3CC[NH2+]CC3)n2)cc1C(F)(F)F ZINC000091692343 193093086 /nfs/dbraw/zinc/09/30/86/193093086.db2.gz RIDQZQZJZJBQMM-UHFFFAOYSA-N 1 0 313.298 3.702 10 0 DHAERO CC(C)[NH2+]CCC[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000095088507 193420614 /nfs/dbraw/zinc/42/06/14/193420614.db2.gz GIQDOHSBVBTULW-SFHVURJKSA-N 1 0 318.461 3.956 10 0 DHAERO CC(C)OCCC[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000013721998 181883160 /nfs/dbraw/zinc/88/31/60/181883160.db2.gz GTAXWJWLCUIZFY-HNNXBMFYSA-N 1 0 317.429 3.905 10 0 DHAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000019233408 182111262 /nfs/dbraw/zinc/11/12/62/182111262.db2.gz MVKAYKUWHUBLHL-KGFZYKRKSA-N 1 0 309.624 3.959 10 0 DHAERO COc1ccc([C@H]([NH3+])c2cccc(Br)c2)cc1OC ZINC000019425289 182122532 /nfs/dbraw/zinc/12/25/32/182122532.db2.gz KRHYXLBYEAWUML-OAHLLOKOSA-N 1 0 322.202 3.514 10 0 DHAERO CN(c1ccccc1)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019510335 182126732 /nfs/dbraw/zinc/12/67/32/182126732.db2.gz DANFZQHMJWRAPO-HNNXBMFYSA-N 1 0 323.209 3.724 10 0 DHAERO C[NH2+]Cc1ccccc1OCc1ccc(Br)cc1 ZINC000019777253 182147616 /nfs/dbraw/zinc/14/76/16/182147616.db2.gz UIVZAIXIDBXBCG-UHFFFAOYSA-N 1 0 306.203 3.748 10 0 DHAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])[C@H]1C[C@@H]1C ZINC000019967848 182171444 /nfs/dbraw/zinc/17/14/44/182171444.db2.gz PWIZOYPNVOURNW-RASWFIQWSA-N 1 0 304.615 3.767 10 0 DHAERO [NH3+][C@H](c1ccc2c(c1)CCO2)c1ccc(F)cc1Br ZINC000019970986 182171728 /nfs/dbraw/zinc/17/17/28/182171728.db2.gz BYGLZPQIQYRTLT-OAHLLOKOSA-N 1 0 322.177 3.571 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2cccc(Br)c2)c(C)c1 ZINC000019972187 182172047 /nfs/dbraw/zinc/17/20/47/182172047.db2.gz PUSCIDBLTPHILZ-HNNXBMFYSA-N 1 0 306.203 3.814 10 0 DHAERO NC(=[NH2+])c1ccc(CSc2ccc(C(F)(F)F)cn2)cc1 ZINC000019983374 182173724 /nfs/dbraw/zinc/17/37/24/182173724.db2.gz STWLGAQORPQZKB-UHFFFAOYSA-N 1 0 311.332 3.677 10 0 DHAERO C[N@H+]([C@H](CN)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000020081722 182184949 /nfs/dbraw/zinc/18/49/49/182184949.db2.gz BWTLOAGZEUDKQI-OAHLLOKOSA-N 1 0 300.368 3.970 10 0 DHAERO C[C@H]1C[C@H](C)C[NH+]([C@@H](CN)c2ccc(C(F)(F)F)cc2)C1 ZINC000020081913 182185009 /nfs/dbraw/zinc/18/50/09/182185009.db2.gz QGXJNMNXCIJUOK-HUBLWGQQSA-N 1 0 300.368 3.683 10 0 DHAERO CC(=O)Oc1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1 ZINC000020310552 182205694 /nfs/dbraw/zinc/20/56/94/182205694.db2.gz KOPAMUUNYJNLFA-YRNVUSSQSA-N 1 0 304.369 3.760 10 0 DHAERO CN(Cc1ccccc1F)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000020226276 182198942 /nfs/dbraw/zinc/19/89/42/182198942.db2.gz QWZMNMOLSYHTQO-HNNXBMFYSA-N 1 0 310.775 3.750 10 0 DHAERO COc1ccc(F)cc1[C@H]([NH3+])c1ccc(Br)cc1 ZINC000020470558 182221919 /nfs/dbraw/zinc/22/19/19/182221919.db2.gz YVHIGQLKXVRNHH-CQSZACIVSA-N 1 0 310.166 3.645 10 0 DHAERO COc1ccc([C@H]([NH3+])c2ccccc2F)cc1Br ZINC000020522153 182227010 /nfs/dbraw/zinc/22/70/10/182227010.db2.gz XLHFGXYFXKMWRA-AWEZNQCLSA-N 1 0 310.166 3.645 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2ccc(C)cc2)cc1Br ZINC000020522249 182227279 /nfs/dbraw/zinc/22/72/79/182227279.db2.gz XTEQRDOMCNOJDP-HNNXBMFYSA-N 1 0 306.203 3.814 10 0 DHAERO Cc1cc2cccc(C[NH+]3CCC([C@H](O)C(C)C)CC3)c2o1 ZINC000020539591 182228726 /nfs/dbraw/zinc/22/87/26/182228726.db2.gz QPZPMDUSSJNCEA-GOSISDBHSA-N 1 0 301.430 3.970 10 0 DHAERO Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)c3cccs3)c(C)n2n1 ZINC000020549302 182230268 /nfs/dbraw/zinc/23/02/68/182230268.db2.gz MUWPZDVECLIPHX-NEPJUHHUSA-N 1 0 300.431 3.819 10 0 DHAERO CCCOc1c(Cl)cc(C[NH2+][C@H](CC)CO)cc1Cl ZINC000020926310 182254440 /nfs/dbraw/zinc/25/44/40/182254440.db2.gz QXQOXSLSQLTLNV-LLVKDONJSA-N 1 0 306.233 3.643 10 0 DHAERO CCCOc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1Cl ZINC000020925602 182254647 /nfs/dbraw/zinc/25/46/47/182254647.db2.gz ATSMLJXEPSDZPM-KRWDZBQOSA-N 1 0 319.832 3.952 10 0 DHAERO CCCOc1ccc(C[NH2+]Cc2cccnc2)cc1OCC ZINC000020933231 182255195 /nfs/dbraw/zinc/25/51/95/182255195.db2.gz TXMQSMQWMIKHAN-UHFFFAOYSA-N 1 0 300.402 3.559 10 0 DHAERO C[NH+](C)C1CCN(C2c3ccccc3Oc3ccccc32)CC1 ZINC000028230129 182513969 /nfs/dbraw/zinc/51/39/69/182513969.db2.gz DDPBQAXVJUKTKJ-UHFFFAOYSA-N 1 0 308.425 3.908 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2ccccc2Br)c(F)c1 ZINC000036766465 182842407 /nfs/dbraw/zinc/84/24/07/182842407.db2.gz YJUUVHYVJJFDKN-AWEZNQCLSA-N 1 0 310.166 3.645 10 0 DHAERO CCOc1ccc(Br)cc1[C@@H]([NH3+])c1ccccc1 ZINC000037225961 182873203 /nfs/dbraw/zinc/87/32/03/182873203.db2.gz SEMCMSYMMHYLOJ-HNNXBMFYSA-N 1 0 306.203 3.896 10 0 DHAERO COc1cccc([C@@H]([NH3+])Cc2ccccc2Br)c1 ZINC000037533228 182904971 /nfs/dbraw/zinc/90/49/71/182904971.db2.gz BPYUSOSTMPELHI-HNNXBMFYSA-N 1 0 306.203 3.700 10 0 DHAERO CC[C@@H](C)[C@H]([NH3+])c1nc(-c2ccc(Br)s2)c[nH]1 ZINC000038002379 182958735 /nfs/dbraw/zinc/95/87/35/182958735.db2.gz VMLVNPSZWVSNPS-HQJQHLMTSA-N 1 0 314.252 3.947 10 0 DHAERO [NH3+][C@H](c1ccc(Br)s1)c1ccc2c(c1)CCCO2 ZINC000038057640 182984229 /nfs/dbraw/zinc/98/42/29/182984229.db2.gz IPDNZLWCANGINY-AWEZNQCLSA-N 1 0 324.243 3.884 10 0 DHAERO CC(C)c1nc2cc(Cl)ccc2n1CCC[NH+]1CCOCC1 ZINC000040405972 183062469 /nfs/dbraw/zinc/06/24/69/183062469.db2.gz ZQZNZZLMKKIKFS-UHFFFAOYSA-N 1 0 321.852 3.535 10 0 DHAERO [NH3+]CCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000040417909 183063798 /nfs/dbraw/zinc/06/37/98/183063798.db2.gz BHCNKMRZEMNTNR-UHFFFAOYSA-N 1 0 319.330 3.605 10 0 DHAERO COc1ccc(C[C@H](C[NH3+])Cc2ccccc2Cl)cc1F ZINC000041540885 183200574 /nfs/dbraw/zinc/20/05/74/183200574.db2.gz QNXCTHHYSIDQAL-ZDUSSCGKSA-N 1 0 307.796 3.848 10 0 DHAERO CCC1CCN([C@@H](C[NH3+])c2ccc(Br)s2)CC1 ZINC000042308236 183252570 /nfs/dbraw/zinc/25/25/70/183252570.db2.gz BPBZTEDMDBQCBL-NSHDSACASA-N 1 0 317.296 3.632 10 0 DHAERO CC(C)C[C@](C)(C[NH3+])N(C)Cc1csc(Br)c1 ZINC000042361226 183258028 /nfs/dbraw/zinc/25/80/28/183258028.db2.gz RMJTXSCWSIAYGT-CYBMUJFWSA-N 1 0 319.312 3.706 10 0 DHAERO CC(C)[N@H+](CC1CC1)[C@@H](CN)c1ccc(Br)cc1 ZINC000042580079 183286770 /nfs/dbraw/zinc/28/67/70/183286770.db2.gz PCKNJDVJLVAGLG-HNNXBMFYSA-N 1 0 311.267 3.569 10 0 DHAERO C[C@H](C[NH+]1CCCC1)N[C@H](C)c1ccccc1Br ZINC000042597536 183289677 /nfs/dbraw/zinc/28/96/77/183289677.db2.gz JERUTYQBGQDATQ-CHWSQXEVSA-N 1 0 311.267 3.584 10 0 DHAERO C[C@@H]1CCCC[C@H]1N(C)c1cc(Br)ccc1C[NH3+] ZINC000042609455 183290595 /nfs/dbraw/zinc/29/05/95/183290595.db2.gz NDBNARXJSAAAOY-BXUZGUMPSA-N 1 0 311.267 3.923 10 0 DHAERO C[C@@H]([N@H+](C)[C@@H](CN)c1cccc(Br)c1)C(C)(C)C ZINC000042741798 183304461 /nfs/dbraw/zinc/30/44/61/183304461.db2.gz PEMGQMNLNKPRSH-RISCZKNCSA-N 1 0 313.283 3.815 10 0 DHAERO [NH3+]C[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC000042899968 183317132 /nfs/dbraw/zinc/31/71/32/183317132.db2.gz DBHDEYZLOTVJHW-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)Cc1ccco1 ZINC000042953136 183321165 /nfs/dbraw/zinc/32/11/65/183321165.db2.gz WGALBKLQZMSPLY-ABAIWWIYSA-N 1 0 323.234 3.562 10 0 DHAERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)Cc1ccoc1 ZINC000042954294 183321664 /nfs/dbraw/zinc/32/16/64/183321664.db2.gz VEIIKGSSWGYACN-XHDPSFHLSA-N 1 0 323.234 3.562 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CC1CC1 ZINC000042954042 183322254 /nfs/dbraw/zinc/32/22/54/183322254.db2.gz DAQKWBGQDUDPAR-LSDHHAIUSA-N 1 0 311.267 3.569 10 0 DHAERO CC(C)c1nccn1[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042955987 183322938 /nfs/dbraw/zinc/32/29/38/183322938.db2.gz UXPSGOUBYKCJQR-RISCZKNCSA-N 1 0 322.250 3.706 10 0 DHAERO C[C@H]([NH3+])[C@H](Oc1ccccc1)c1cccc(Br)c1 ZINC000043022648 183330450 /nfs/dbraw/zinc/33/04/50/183330450.db2.gz KJRIZKUYNJXKLE-NHYWBVRUSA-N 1 0 306.203 3.916 10 0 DHAERO COc1ccccc1O[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043022698 183330665 /nfs/dbraw/zinc/33/06/65/183330665.db2.gz ZCBWQBHJEHXFLC-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO [NH3+]C[C@@H](Oc1ccc(F)cc1)c1cccc(Br)c1 ZINC000043022626 183330790 /nfs/dbraw/zinc/33/07/90/183330790.db2.gz OYCVMXHEJLMUCC-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO Cc1nn([C@@H](c2ccccc2Br)[C@H](C)[NH3+])c(C)c1C ZINC000043093852 183336768 /nfs/dbraw/zinc/33/67/68/183336768.db2.gz CZSXKVJEIPQLAT-ZUZCIYMTSA-N 1 0 322.250 3.507 10 0 DHAERO [NH3+]C[C@@H](OCc1cccs1)c1ccccc1Br ZINC000043095588 183337330 /nfs/dbraw/zinc/33/73/30/183337330.db2.gz GMVTUONKXAOZJI-CYBMUJFWSA-N 1 0 312.232 3.727 10 0 DHAERO CC[C@@H]([NH3+])[C@H](SCCOC)c1ccccc1Br ZINC000043096232 183337647 /nfs/dbraw/zinc/33/76/47/183337647.db2.gz UWDZRPGPRUNBPX-CHWSQXEVSA-N 1 0 318.280 3.607 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CCC[C@@H]1C ZINC000043092384 183335974 /nfs/dbraw/zinc/33/59/74/183335974.db2.gz NRZYKGLNUZTZFA-TUKIKUTGSA-N 1 0 311.267 3.712 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)C1CCCC1 ZINC000043091260 183336014 /nfs/dbraw/zinc/33/60/14/183336014.db2.gz NWQPBUXFCIDTLM-ABAIWWIYSA-N 1 0 311.267 3.712 10 0 DHAERO FC(F)(F)c1n[nH]c2c1C[NH2+]CC2=Cc1ccc(Cl)cc1 ZINC000043464051 183364835 /nfs/dbraw/zinc/36/48/35/183364835.db2.gz RQDJINHCYBGCPL-WEVVVXLNSA-N 1 0 313.710 3.726 10 0 DHAERO CC[C@H](C)[N@H+](CCOC)Cc1ccc(Br)s1 ZINC000043678289 183379008 /nfs/dbraw/zinc/37/90/08/183379008.db2.gz PDFXSNYURMQYAI-JTQLQIEISA-N 1 0 306.269 3.758 10 0 DHAERO C[C@@H](c1c(F)cccc1F)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106186068 194189680 /nfs/dbraw/zinc/18/96/80/194189680.db2.gz QWVMFAFGCYOKNI-ZDUSSCGKSA-N 1 0 305.372 3.635 10 0 DHAERO CC[C@H](C)[C@H](C)[NH2+]CCOc1cccc(Br)c1 ZINC000049596122 183745398 /nfs/dbraw/zinc/74/53/98/183745398.db2.gz FIWHRMUSPCBJCD-RYUDHWBXSA-N 1 0 300.240 3.852 10 0 DHAERO CC[NH2+][C@H]1CCC[C@H]1CCOc1cccc(Br)c1 ZINC000049597090 183745750 /nfs/dbraw/zinc/74/57/50/183745750.db2.gz YWNYMYZDXFJPDA-WFASDCNBSA-N 1 0 312.251 3.996 10 0 DHAERO COCC[NH2+]C[C@@H](Cc1ccc(Br)s1)C(C)C ZINC000054663103 183947592 /nfs/dbraw/zinc/94/75/92/183947592.db2.gz FNMNZRVMVCSTAF-LLVKDONJSA-N 1 0 320.296 3.561 10 0 DHAERO CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccc(Br)cc1F ZINC000054597836 183945597 /nfs/dbraw/zinc/94/55/97/183945597.db2.gz JAABHXKXODUZAD-MFKMUULPSA-N 1 0 300.215 3.937 10 0 DHAERO Fc1ccc([C@H]2CN(C3CC[NH2+]CC3)c3ccc(F)cc32)cc1 ZINC000059051554 184134160 /nfs/dbraw/zinc/13/41/60/184134160.db2.gz ZIXCBHJRCMGVLM-GOSISDBHSA-N 1 0 314.379 3.669 10 0 DHAERO CC[NH2+]Cc1ccc(Br)cc1N(C)CC1CCC1 ZINC000061480738 184171270 /nfs/dbraw/zinc/17/12/70/184171270.db2.gz NXNPBFYULGGECN-UHFFFAOYSA-N 1 0 311.267 3.795 10 0 DHAERO C[NH2+]C(C)(C)c1nc2cc(Br)ccc2n1C(C)C ZINC000061149833 184163779 /nfs/dbraw/zinc/16/37/79/184163779.db2.gz XUGQACPQSXBTEV-UHFFFAOYSA-N 1 0 310.239 3.834 10 0 DHAERO C[NH2+][C@H](C)c1ccc(Oc2cccnc2)c(Br)c1 ZINC000061699332 184183882 /nfs/dbraw/zinc/18/38/82/184183882.db2.gz AYXYIHKODMZRQW-SNVBAGLBSA-N 1 0 307.191 3.917 10 0 DHAERO C[NH2+][C@H](C)c1ccc(-n2nc(C)cc2C)c(Br)c1 ZINC000061698327 184183895 /nfs/dbraw/zinc/18/38/95/184183895.db2.gz ZYSHLFZJQGLFJY-LLVKDONJSA-N 1 0 308.223 3.532 10 0 DHAERO C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)c(Br)c1 ZINC000061699331 184183907 /nfs/dbraw/zinc/18/39/07/184183907.db2.gz AYXYIHKODMZRQW-JTQLQIEISA-N 1 0 307.191 3.917 10 0 DHAERO CCOC(=O)C[C@H](C)C[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000061830352 184188916 /nfs/dbraw/zinc/18/89/16/184188916.db2.gz DOSPCWDYBRYVGO-RNCFNFMXSA-N 1 0 304.217 3.973 10 0 DHAERO CN(Cc1cccc(Br)c1)[C@H](C[NH3+])CC(C)(C)C ZINC000061839864 184189473 /nfs/dbraw/zinc/18/94/73/184189473.db2.gz IXVQCLHVCSVYKC-AWEZNQCLSA-N 1 0 313.283 3.644 10 0 DHAERO C[N@@H+]1CC[C@H](Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000061988881 184200046 /nfs/dbraw/zinc/20/00/46/184200046.db2.gz FVLQNJKKSKGHMZ-VIFPVBQESA-N 1 0 323.156 3.584 10 0 DHAERO [NH3+][C@H](Cc1ccc(Br)cc1)c1ccc2c(c1)COC2 ZINC000062332429 184230908 /nfs/dbraw/zinc/23/09/08/184230908.db2.gz WVTXAPRUWVQZNM-MRXNPFEDSA-N 1 0 318.214 3.722 10 0 DHAERO [NH3+][C@H](c1ccc2c(c1)COC2)c1cc(F)cc(Br)c1 ZINC000062332366 184231111 /nfs/dbraw/zinc/23/11/11/184231111.db2.gz JRWYZSKYXDJUKF-OAHLLOKOSA-N 1 0 322.177 3.667 10 0 DHAERO [NH3+][C@@H](c1ccc(Br)s1)c1ccc2c(c1)COC2 ZINC000062331896 184231173 /nfs/dbraw/zinc/23/11/73/184231173.db2.gz QDRTZRCLFZWMSE-CYBMUJFWSA-N 1 0 310.216 3.589 10 0 DHAERO CC[C@@]1(C(=O)Nc2cc(Cl)ccc2Cl)CCC[NH2+]C1 ZINC000062851887 184256756 /nfs/dbraw/zinc/25/67/56/184256756.db2.gz BRJDXIOORWCYIZ-CQSZACIVSA-N 1 0 301.217 3.712 10 0 DHAERO COc1ccc([C@H]([NH3+])c2cc(F)ccc2C)c(Br)c1 ZINC000062665413 184247357 /nfs/dbraw/zinc/24/73/57/184247357.db2.gz UMYZGBUWXAGNSV-HNNXBMFYSA-N 1 0 324.193 3.953 10 0 DHAERO Cc1cc(Br)ccc1O[C@H](C[NH3+])c1ccccc1F ZINC000063061740 184268609 /nfs/dbraw/zinc/26/86/09/184268609.db2.gz YFIVTGBHRJXDCH-OAHLLOKOSA-N 1 0 324.193 3.975 10 0 DHAERO Cc1cc(Br)ccc1O[C@@H](c1ccccn1)[C@H](C)[NH3+] ZINC000063061711 184268641 /nfs/dbraw/zinc/26/86/41/184268641.db2.gz NYAGUQZOASQCFI-XHDPSFHLSA-N 1 0 321.218 3.620 10 0 DHAERO Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000193563081 335053444 /nfs/dbraw/zinc/05/34/44/335053444.db2.gz SLDONHOMWLRYNI-CZUORRHYSA-N 1 0 314.454 3.594 10 0 DHAERO Cc1cc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c2ccccc2n1 ZINC000152185783 196785077 /nfs/dbraw/zinc/78/50/77/196785077.db2.gz YTYVCVPKNVLKRP-SFHVURJKSA-N 1 0 319.408 3.592 10 0 DHAERO CO[C@H]1CC[N@H+](Cc2nc(C)cs2)C[C@H]1Cc1ccccc1 ZINC000247970910 257113507 /nfs/dbraw/zinc/11/35/07/257113507.db2.gz SFKXYWNJFIHWDZ-SJORKVTESA-N 1 0 316.470 3.531 10 0 DHAERO C[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccc(Cl)s1 ZINC000311613006 533467775 /nfs/dbraw/zinc/46/77/75/533467775.db2.gz JUTHPRQKMNWUDE-MRVPVSSYSA-N 1 0 305.781 3.714 10 0 DHAERO Cc1nocc1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000293722607 131762787 /nfs/dbraw/zinc/76/27/87/131762787.db2.gz YQEXKXUUKQFNIJ-AWEZNQCLSA-N 1 0 307.191 3.523 10 0 DHAERO CC[NH2+][C@@H]1CCN(c2ccc(C)cc2Br)C[C@@H]1C ZINC000049712086 134758103 /nfs/dbraw/zinc/75/81/03/134758103.db2.gz SYERLDGPOWDJGI-GXTWGEPZSA-N 1 0 311.267 3.582 10 0 DHAERO CC1(C)CC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000175115826 332876066 /nfs/dbraw/zinc/87/60/66/332876066.db2.gz KRJPQDOABGIKFS-JKSUJKDBSA-N 1 0 306.494 3.628 10 0 DHAERO Cc1ccc([C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccccc2)c(C)c1 ZINC000133032734 332135435 /nfs/dbraw/zinc/13/54/35/332135435.db2.gz MTCPYPQCHSYXRP-NQIIRXRSSA-N 1 0 322.452 3.603 10 0 DHAERO Cc1ccc([C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccccc2)c(C)c1 ZINC000133032524 332135458 /nfs/dbraw/zinc/13/54/58/332135458.db2.gz MTCPYPQCHSYXRP-WIYYLYMNSA-N 1 0 322.452 3.603 10 0 DHAERO Cc1nc(C[C@H]2CCC[N@H+](CCCc3cccc(C)c3)C2)no1 ZINC000181080439 332173485 /nfs/dbraw/zinc/17/34/85/332173485.db2.gz IHAORUIPHFAQTI-GOSISDBHSA-N 1 0 313.445 3.574 10 0 DHAERO C[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1Cl ZINC000040853845 332207127 /nfs/dbraw/zinc/20/71/27/332207127.db2.gz BCQPPHJJNQKVKZ-LRDDRELGSA-N 1 0 302.805 3.607 10 0 DHAERO C[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1Cl ZINC000040853847 332207167 /nfs/dbraw/zinc/20/71/67/332207167.db2.gz BCQPPHJJNQKVKZ-WBMJQRKESA-N 1 0 302.805 3.607 10 0 DHAERO Cc1cccc(Nc2ccccc2C(=O)N2CCC[C@H]([NH3+])C2)c1C ZINC000195107120 335094714 /nfs/dbraw/zinc/09/47/14/335094714.db2.gz WLERJAOGHVUGLE-INIZCTEOSA-N 1 0 323.440 3.610 10 0 DHAERO CCC(CC)(CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000236859636 332214405 /nfs/dbraw/zinc/21/44/05/332214405.db2.gz GDXNJQHEWSFJHA-CZUORRHYSA-N 1 0 322.880 3.641 10 0 DHAERO C[C@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccc2ccccc2c1 ZINC000102686741 332226779 /nfs/dbraw/zinc/22/67/79/332226779.db2.gz MATNPPNKQPDOTL-INIZCTEOSA-N 1 0 310.441 3.749 10 0 DHAERO [NH3+]C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000261796061 332372634 /nfs/dbraw/zinc/37/26/34/332372634.db2.gz LHVAVTCIHXASEO-CVEARBPZSA-N 1 0 318.823 3.653 10 0 DHAERO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(Br)cc1 ZINC000160045317 332752462 /nfs/dbraw/zinc/75/24/62/332752462.db2.gz ADZDWGZSQHPVFV-KCPJHIHWSA-N 1 0 312.251 3.793 10 0 DHAERO Cc1cnn(CC[NH2+]Cc2ccc(SC(F)(F)F)cc2)c1 ZINC000109075482 333010764 /nfs/dbraw/zinc/01/07/64/333010764.db2.gz GBYJKINYZLPNOJ-UHFFFAOYSA-N 1 0 315.364 3.593 10 0 DHAERO Cc1ccc([C@@H]([NH2+]CCNC(=O)C2CC2)c2ccccc2)c(C)c1 ZINC000179988906 333026475 /nfs/dbraw/zinc/02/64/75/333026475.db2.gz ZRYAKGUWYALRBA-FQEVSTJZSA-N 1 0 322.452 3.509 10 0 DHAERO CCCn1cc(C[NH2+][C@@H](C)c2cccc(Br)c2)cn1 ZINC000116912832 333189459 /nfs/dbraw/zinc/18/94/59/333189459.db2.gz NIKZCJKNYPVGEV-LBPRGKRZSA-N 1 0 322.250 3.906 10 0 DHAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000228486921 333387126 /nfs/dbraw/zinc/38/71/26/333387126.db2.gz GIBHPQMYNQVVIG-OKZBNKHCSA-N 1 0 305.487 3.794 10 0 DHAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049129445 334315000 /nfs/dbraw/zinc/31/50/00/334315000.db2.gz KBKIYJXJBIMWHP-VHSXEESVSA-N 1 0 302.871 3.745 10 0 DHAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049129455 334315018 /nfs/dbraw/zinc/31/50/18/334315018.db2.gz KBKIYJXJBIMWHP-ZJUUUORDSA-N 1 0 302.871 3.745 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1ccc(Cl)s1 ZINC000049129496 334315245 /nfs/dbraw/zinc/31/52/45/334315245.db2.gz GYWMXOXSTCPSSW-NEPJUHHUSA-N 1 0 314.882 3.843 10 0 DHAERO OC[C@@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)c1ccco1 ZINC000125659036 334805438 /nfs/dbraw/zinc/80/54/38/334805438.db2.gz DBRUGZCIQNUJII-CQSZACIVSA-N 1 0 322.286 3.992 10 0 DHAERO CCc1cc(NCC2CCC(C(N)=O)CC2)c2ccccc2[nH+]1 ZINC000125862083 334820264 /nfs/dbraw/zinc/82/02/64/334820264.db2.gz OPJZHETUOKYOAN-UHFFFAOYSA-N 1 0 311.429 3.501 10 0 DHAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000127060302 334874329 /nfs/dbraw/zinc/87/43/29/334874329.db2.gz NXKZBDDKHSESOF-CQSZACIVSA-N 1 0 309.413 3.916 10 0 DHAERO C[C@@H]([NH2+]Cc1cc(Br)c(Cl)s1)[C@@H]1CCCO1 ZINC000191691718 335829648 /nfs/dbraw/zinc/82/96/48/335829648.db2.gz YOUVMJVQOUNFML-XCBNKYQSSA-N 1 0 324.671 3.821 10 0 DHAERO CC1(C)CCCC[C@@H]1c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000329635719 336020891 /nfs/dbraw/zinc/02/08/91/336020891.db2.gz XZLOAIJQOYCRBK-RBSFLKMASA-N 1 0 319.449 3.679 10 0 DHAERO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cc(Br)ccc1F ZINC000324303404 336130632 /nfs/dbraw/zinc/13/06/32/336130632.db2.gz WQRVINOGUONQMA-RNCFNFMXSA-N 1 0 318.230 3.646 10 0 DHAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cc(Br)ccc1F ZINC000324303406 336130693 /nfs/dbraw/zinc/13/06/93/336130693.db2.gz WQRVINOGUONQMA-TVQRCGJNSA-N 1 0 318.230 3.646 10 0 DHAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cc(Br)ccc1F ZINC000324303407 336130962 /nfs/dbraw/zinc/13/09/62/336130962.db2.gz WQRVINOGUONQMA-ZANVPECISA-N 1 0 318.230 3.646 10 0 DHAERO CCS[C@H]1CC[C@@]1(O)CNc1cc(C)[nH+]c2ccccc12 ZINC000301484284 336309714 /nfs/dbraw/zinc/30/97/14/336309714.db2.gz GOZYWJNAMUCDOQ-DLBZAZTESA-N 1 0 302.443 3.602 10 0 DHAERO CCc1c(C)[nH+]c2ccccc2c1N1CC[C@H](c2cnn(C)c2)C1 ZINC000302015366 336343143 /nfs/dbraw/zinc/34/31/43/336343143.db2.gz BXMWZCKNYRJODM-HNNXBMFYSA-N 1 0 320.440 3.833 10 0 DHAERO CCc1c(C)[nH+]c2ccccc2c1NC[C@@H](O)c1ccncc1 ZINC000302078387 336347494 /nfs/dbraw/zinc/34/74/94/336347494.db2.gz ZDAULSOQPUUKLR-GOSISDBHSA-N 1 0 307.397 3.646 10 0 DHAERO OC[C@H]1CCCN1c1cc[nH+]c2ccc(Oc3ccccc3)cc21 ZINC000302897057 336373752 /nfs/dbraw/zinc/37/37/52/336373752.db2.gz PGRYAVQTRZPZTB-OAHLLOKOSA-N 1 0 320.392 3.988 10 0 DHAERO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1C[C@H]1C ZINC000105437790 336387465 /nfs/dbraw/zinc/38/74/65/336387465.db2.gz RIRVTVQNYBNAKC-PIGZYNQJSA-N 1 0 303.837 3.700 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccn3CCC(C)C)C2)c1 ZINC000123116029 337038026 /nfs/dbraw/zinc/03/80/26/337038026.db2.gz HYYKBEMAPXMYFS-LJQANCHMSA-N 1 0 314.477 3.876 10 0 DHAERO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123413422 337048080 /nfs/dbraw/zinc/04/80/80/337048080.db2.gz SZJGSNSGBURNIU-CVEARBPZSA-N 1 0 322.518 3.558 10 0 DHAERO C[C@](O)(CN[C@@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000170777412 337083019 /nfs/dbraw/zinc/08/30/19/337083019.db2.gz QOOXASIYWVTVGV-MJGOQNOKSA-N 1 0 324.449 3.730 10 0 DHAERO C[C@](O)(CN[C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000170777406 337083096 /nfs/dbraw/zinc/08/30/96/337083096.db2.gz QOOXASIYWVTVGV-HKUYNNGSSA-N 1 0 324.449 3.730 10 0 DHAERO CCO[C@@H]1C[C@@H]([N@H+](C)CCc2scnc2C)C12CCCC2 ZINC000172670654 337129460 /nfs/dbraw/zinc/12/94/60/337129460.db2.gz JLOACUFFHAUYAP-HZPDHXFCSA-N 1 0 308.491 3.664 10 0 DHAERO Cc1csc([C@@H]2CCC[N@H+](Cc3cccc(Cl)n3)C2)n1 ZINC000173602387 337136791 /nfs/dbraw/zinc/13/67/91/337136791.db2.gz GGJDBQGDPFNIMJ-GFCCVEGCSA-N 1 0 307.850 3.880 10 0 DHAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc2ccccc12 ZINC000175015173 337143994 /nfs/dbraw/zinc/14/39/94/337143994.db2.gz NHHPAJRAHZRVFV-UONOGXRCSA-N 1 0 314.454 3.600 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCCCc3ccccc31)CC2 ZINC000174850475 337144989 /nfs/dbraw/zinc/14/49/89/337144989.db2.gz AUCVCGDNKORKFO-AEFFLSMTSA-N 1 0 324.472 3.774 10 0 DHAERO c1csc(-c2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)cs2)c1 ZINC000177780997 337157363 /nfs/dbraw/zinc/15/73/63/337157363.db2.gz FNDUVOXFEZTJMA-CQSZACIVSA-N 1 0 319.499 3.542 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177713307 337158671 /nfs/dbraw/zinc/15/86/71/337158671.db2.gz BMZQGYQBRJPTKH-SJLPKXTDSA-N 1 0 313.420 3.909 10 0 DHAERO C[C@H]1CC[C@@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)O1 ZINC000178173928 337161180 /nfs/dbraw/zinc/16/11/80/337161180.db2.gz IMUBVVBSDHJPQF-YJBOKZPZSA-N 1 0 316.445 3.569 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](c1ccccc1)C(C)C)CC2 ZINC000180169687 337175080 /nfs/dbraw/zinc/17/50/80/337175080.db2.gz HYCXGXTXRDNNQV-AEFFLSMTSA-N 1 0 312.461 3.703 10 0 DHAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1oc3ccccc3c1C)CC2 ZINC000180619935 337176625 /nfs/dbraw/zinc/17/66/25/337176625.db2.gz HYQZOQFPECAAHX-KBPBESRZSA-N 1 0 324.428 3.561 10 0 DHAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC(C)C)c1cccs1)CC2 ZINC000180616303 337176639 /nfs/dbraw/zinc/17/66/39/337176639.db2.gz CNHIVGSFAIDBOR-KBPBESRZSA-N 1 0 318.490 3.594 10 0 DHAERO CC(C)CCC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000180606561 337176658 /nfs/dbraw/zinc/17/66/58/337176658.db2.gz MMMHALNWHNNUFQ-ROUUACIJSA-N 1 0 312.461 3.750 10 0 DHAERO CC[C@@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1ccc(C)cc1 ZINC000180648094 337176904 /nfs/dbraw/zinc/17/69/04/337176904.db2.gz NMAOEGKTPNHTTJ-IAGOWNOFSA-N 1 0 312.461 3.766 10 0 DHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nc(C(C)C)nn3C1)CCC2 ZINC000180643913 337176985 /nfs/dbraw/zinc/17/69/85/337176985.db2.gz AULUASQYBZGTOX-FUHWJXTLSA-N 1 0 324.472 3.692 10 0 DHAERO CC[C@@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1F ZINC000180857963 337178180 /nfs/dbraw/zinc/17/81/80/337178180.db2.gz YADIJKKUHJGAHB-XJKSGUPXSA-N 1 0 316.424 3.596 10 0 DHAERO C[C@@H]1C[C@H](C(=O)Nc2cc(C[NH+](C)C)ccn2)CC(C)(C)C1 ZINC000180930467 337178676 /nfs/dbraw/zinc/17/86/76/337178676.db2.gz ZYXZQKFFBSCFOC-HIFRSBDPSA-N 1 0 303.450 3.544 10 0 DHAERO C[C@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CCCO1 ZINC000183119572 337189966 /nfs/dbraw/zinc/18/99/66/337189966.db2.gz HGEWQCVFRXBKLA-SMDDNHRTSA-N 1 0 306.793 3.652 10 0 DHAERO C[C@@H]([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)[C@H]1CCCO1 ZINC000183104093 337190027 /nfs/dbraw/zinc/19/00/27/337190027.db2.gz OLUKRYOVBMVFQO-BXUZGUMPSA-N 1 0 306.793 3.652 10 0 DHAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@H]1c1cnn(C)c1 ZINC000185295889 337203971 /nfs/dbraw/zinc/20/39/71/337203971.db2.gz SHWHEKVJSDLCFD-KRWDZBQOSA-N 1 0 306.413 3.927 10 0 DHAERO c1ccc2c(c1)CO[C@@]21CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000186452011 337256423 /nfs/dbraw/zinc/25/64/23/337256423.db2.gz RLBKSKRJOMZLEH-OAQYLSRUSA-N 1 0 316.404 3.866 10 0 DHAERO CCc1ccccc1C[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000189658066 337281473 /nfs/dbraw/zinc/28/14/73/337281473.db2.gz NNTMMLAKYGDVNW-MSOLQXFVSA-N 1 0 301.455 3.518 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000392932400 337290830 /nfs/dbraw/zinc/29/08/30/337290830.db2.gz PRWKUHZVOCYCID-BIGNPOOSSA-N 1 0 315.244 3.701 10 0 DHAERO Cc1csc([C@@H]2CCC[N@H+](C[C@H](O)C3CCCCC3)C2)n1 ZINC000191321598 337295848 /nfs/dbraw/zinc/29/58/48/337295848.db2.gz FVMDUTVFVVQKPK-CVEARBPZSA-N 1 0 308.491 3.572 10 0 DHAERO Cc1c[nH+]ccc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000192550810 337306351 /nfs/dbraw/zinc/30/63/51/337306351.db2.gz AZADPAVUSLFKQU-CQSZACIVSA-N 1 0 317.458 3.722 10 0 DHAERO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@@H](C)[NH3+] ZINC000399508983 337392940 /nfs/dbraw/zinc/39/29/40/337392940.db2.gz KYUFFNAJAVSBMJ-ISTVAULSSA-N 1 0 317.260 3.790 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc21)[C@H]1CCCO1 ZINC000040226709 337397820 /nfs/dbraw/zinc/39/78/20/337397820.db2.gz QPEFATDXNKJMAQ-COLVAYQJSA-N 1 0 310.235 3.594 10 0 DHAERO CC(C)C1([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000379461649 337399035 /nfs/dbraw/zinc/39/90/35/337399035.db2.gz DNNHAQMAKXXTAY-GFCCVEGCSA-N 1 0 318.244 3.511 10 0 DHAERO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000246385100 337540815 /nfs/dbraw/zinc/54/08/15/337540815.db2.gz KIWLNARSVKWLIC-HLLBOEOZSA-N 1 0 324.472 3.863 10 0 DHAERO COc1cc(OC)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1Cl ZINC000247150400 337558099 /nfs/dbraw/zinc/55/80/99/337558099.db2.gz SWLJRGKTDWHMDW-COPLHBTASA-N 1 0 313.825 3.575 10 0 DHAERO CC1(C)CN(C(=O)c2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000261654625 337607436 /nfs/dbraw/zinc/60/74/36/337607436.db2.gz ASOOCCUIEQPXTI-SFHVURJKSA-N 1 0 324.424 3.678 10 0 DHAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1C[C@@H]1C1CCCCC1 ZINC000261786259 337610426 /nfs/dbraw/zinc/61/04/26/337610426.db2.gz TVXGSEROCGBRFS-CVEARBPZSA-N 1 0 316.420 3.626 10 0 DHAERO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261812341 337610997 /nfs/dbraw/zinc/61/09/97/337610997.db2.gz RXWHLYRXHFYICT-TZDHZFECSA-N 1 0 322.880 3.665 10 0 DHAERO C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261830507 337611308 /nfs/dbraw/zinc/61/13/08/337611308.db2.gz UAGPPDOMMQRULX-KFKAGJAMSA-N 1 0 314.473 3.751 10 0 DHAERO [NH3+]C1(c2noc([C@@H]3C[C@@H]3c3c(F)cccc3Cl)n2)CCCC1 ZINC000261911930 337612455 /nfs/dbraw/zinc/61/24/55/337612455.db2.gz ZXDBMKKDMVIZEV-VHSXEESVSA-N 1 0 321.783 3.861 10 0 DHAERO Cc1ccc([C@@H](C)NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c(C)c1 ZINC000262234737 337616051 /nfs/dbraw/zinc/61/60/51/337616051.db2.gz HGISVBOYECAJRJ-RGWLIJMNSA-N 1 0 314.473 3.634 10 0 DHAERO Cc1ccc(-c2nc(NC(=O)[C@H]3CCC[C@@H]3[NH3+])sc2C)s1 ZINC000262622733 337619935 /nfs/dbraw/zinc/61/99/35/337619935.db2.gz ZUDVFQFJVOGKSZ-QWRGUYRKSA-N 1 0 321.471 3.554 10 0 DHAERO O=C(c1cccc(-c2ccoc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000089817487 337874554 /nfs/dbraw/zinc/87/45/54/337874554.db2.gz PTQSOEXXQOYDEC-UHFFFAOYSA-N 1 0 324.424 3.647 10 0 DHAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000171083766 338574060 /nfs/dbraw/zinc/57/40/60/338574060.db2.gz UXFKPKMTIDRGTD-OAHLLOKOSA-N 1 0 315.442 3.583 10 0 DHAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000175824993 340420913 /nfs/dbraw/zinc/42/09/13/340420913.db2.gz UMICCEYATXUNOL-VXGBXAGGSA-N 1 0 316.898 3.598 10 0 DHAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066391556 340845950 /nfs/dbraw/zinc/84/59/50/340845950.db2.gz KBJXFJYXJCYJSI-SRVKXCTJSA-N 1 0 314.832 3.823 10 0 DHAERO Clc1ccc(C[NH2+][C@@H]2CCN(CCc3ccccc3)C2)s1 ZINC000071307333 341028792 /nfs/dbraw/zinc/02/87/92/341028792.db2.gz OIPBNVYLOWGFLQ-OAHLLOKOSA-N 1 0 320.889 3.808 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000133067684 341153509 /nfs/dbraw/zinc/15/35/09/341153509.db2.gz PWHJXHMMGHNKOB-AAEUAGOBSA-N 1 0 316.367 3.562 10 0 DHAERO C[C@H]1CN(Cc2ccc(F)c(Br)c2)CCS1 ZINC000134342462 341213635 /nfs/dbraw/zinc/21/36/35/341213635.db2.gz VFRXHLCUYRPSIR-VIFPVBQESA-N 1 0 304.228 3.526 10 0 DHAERO CC(C)[C@H](CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000245854016 341316152 /nfs/dbraw/zinc/31/61/52/341316152.db2.gz NKRYIFYCXRVOHR-OALUTQOASA-N 1 0 314.473 3.513 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)ccc1Cl ZINC000246056482 341323005 /nfs/dbraw/zinc/32/30/05/341323005.db2.gz QIDOVKBKBVBVSX-KGLIPLIRSA-N 1 0 321.852 3.739 10 0 DHAERO CCCc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246087364 341324587 /nfs/dbraw/zinc/32/45/87/341324587.db2.gz WDJXITKWDQFACG-SJORKVTESA-N 1 0 315.461 3.730 10 0 DHAERO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246377295 341345662 /nfs/dbraw/zinc/34/56/62/341345662.db2.gz OKEYFYGQQAMJIX-ZBFHGGJFSA-N 1 0 304.434 3.596 10 0 DHAERO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@@H](O)COC(C)(C)C)c1 ZINC000246592095 341354101 /nfs/dbraw/zinc/35/41/01/341354101.db2.gz ROAUCUPZOZMJNJ-AEFFLSMTSA-N 1 0 305.462 3.616 10 0 DHAERO Cn1cc([C@@H]2CCC[N@@H+]2[C@H]2CCc3c2cccc3Cl)cn1 ZINC000246632284 341354892 /nfs/dbraw/zinc/35/48/92/341354892.db2.gz JCWZMUUPISLIQQ-IRXDYDNUSA-N 1 0 301.821 3.898 10 0 DHAERO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@@H](O)COC(C)(C)C)o1 ZINC000247502013 341365903 /nfs/dbraw/zinc/36/59/03/341365903.db2.gz LUOOGLBKEKVTGM-IMJJTQAJSA-N 1 0 309.450 3.537 10 0 DHAERO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247744301 341369938 /nfs/dbraw/zinc/36/99/38/341369938.db2.gz OCCXQPWUFBARMU-MAUKXSAKSA-N 1 0 312.461 3.974 10 0 DHAERO CCCCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)cc1OC ZINC000248159256 341374159 /nfs/dbraw/zinc/37/41/59/341374159.db2.gz RWFDWRAZSRXYTN-BHYGNILZSA-N 1 0 321.461 3.828 10 0 DHAERO CSc1cccc(C)c1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248556730 341379857 /nfs/dbraw/zinc/37/98/57/341379857.db2.gz CDNKNGNEWISKCQ-KGLIPLIRSA-N 1 0 321.490 3.567 10 0 DHAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000248609297 341381392 /nfs/dbraw/zinc/38/13/92/341381392.db2.gz VVYLRFXKWNXKQN-IKGGRYGDSA-N 1 0 308.510 3.639 10 0 DHAERO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248650728 341382875 /nfs/dbraw/zinc/38/28/75/341382875.db2.gz MDJCYGJWCCZXSH-PZJWPPBQSA-N 1 0 323.484 3.987 10 0 DHAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cc(Br)cs1 ZINC000248727069 341385190 /nfs/dbraw/zinc/38/51/90/341385190.db2.gz JETFMTFQZWKGTB-HOSYDEDBSA-N 1 0 318.280 3.712 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@@H+](C[C@@H]3C(C)=CCC[C@@H]3C)C2)no1 ZINC000249098872 341393851 /nfs/dbraw/zinc/39/38/51/341393851.db2.gz PASHNUDHHNFUIK-BHYGNILZSA-N 1 0 303.450 3.625 10 0 DHAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1cccc(Oc2ccccc2)c1 ZINC000261914495 341509379 /nfs/dbraw/zinc/50/93/79/341509379.db2.gz QQUCZDVSBYYKOL-OAHLLOKOSA-N 1 0 310.397 3.950 10 0 DHAERO C[C@@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)[C@@H](C[NH3+])C1 ZINC000262574316 341525291 /nfs/dbraw/zinc/52/52/91/341525291.db2.gz XYCUHTBMUSCJQF-MLGOLLRUSA-N 1 0 319.836 3.554 10 0 DHAERO CC(=O)NC1CCC([NH2+][C@@H]2c3ccccc3CCC2(C)C)CC1 ZINC000161678790 519645907 /nfs/dbraw/zinc/64/59/07/519645907.db2.gz WEUQVNHMTTYJKS-FAFZWHIHSA-N 1 0 314.473 3.737 10 0 DHAERO CCC[C@@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1 ZINC000180527579 520790866 /nfs/dbraw/zinc/79/08/66/520790866.db2.gz BZZMZRFRBJZUEF-IAGOWNOFSA-N 1 0 312.461 3.847 10 0 DHAERO CCOc1ccccc1C[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000106217517 521483921 /nfs/dbraw/zinc/48/39/21/521483921.db2.gz PKPXTBUJCHZCMJ-QGZVFWFLSA-N 1 0 313.445 3.681 10 0 DHAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(F)F)c1 ZINC000181823895 523314249 /nfs/dbraw/zinc/31/42/49/523314249.db2.gz WSSUHEUDDFAXAI-LSDHHAIUSA-N 1 0 323.387 3.715 10 0 DHAERO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)cc1F ZINC000156976059 524028281 /nfs/dbraw/zinc/02/82/81/524028281.db2.gz MIZPFXLUXXYDIR-CQSZACIVSA-N 1 0 320.433 3.979 10 0 DHAERO Cc1cccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1C ZINC000180535035 524832000 /nfs/dbraw/zinc/83/20/00/524832000.db2.gz BLKOZIOWEQDINB-CVEARBPZSA-N 1 0 312.461 3.684 10 0 DHAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1C ZINC000180535050 524877752 /nfs/dbraw/zinc/87/77/52/524877752.db2.gz BLKOZIOWEQDINB-HOTGVXAUSA-N 1 0 312.461 3.684 10 0 DHAERO C[C@@H]1CN([C@@H](C[NH2+]CCC(C)(C)C)c2cccs2)CCO1 ZINC000112697895 525058025 /nfs/dbraw/zinc/05/80/25/525058025.db2.gz DZVFFXAOWIZDPW-CABCVRRESA-N 1 0 310.507 3.536 10 0 DHAERO COc1ccc([C@@H](C)C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000182623210 525127385 /nfs/dbraw/zinc/12/73/85/525127385.db2.gz SQPANUYPOFXHPQ-RDJZCZTQSA-N 1 0 303.446 3.880 10 0 DHAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(Oc2ccccc2)cc1 ZINC000246266330 525144962 /nfs/dbraw/zinc/14/49/62/525144962.db2.gz LLMQYDCEMWHIQI-USXIJHARSA-N 1 0 324.424 3.784 10 0 DHAERO COc1ccc([C@H](C)C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000182623192 525297351 /nfs/dbraw/zinc/29/73/51/525297351.db2.gz SQPANUYPOFXHPQ-NVXWUHKLSA-N 1 0 303.446 3.880 10 0 DHAERO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1cccs1 ZINC000182554418 525300738 /nfs/dbraw/zinc/30/07/38/525300738.db2.gz GBWXBERYWCOSPM-AWEZNQCLSA-N 1 0 314.454 3.590 10 0 DHAERO C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1nccs1 ZINC000154211194 525354875 /nfs/dbraw/zinc/35/48/75/525354875.db2.gz XRGRGJJTSOMYNR-QMMMGPOBSA-N 1 0 317.245 3.608 10 0 DHAERO C[C@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)[C@H]1CCCO1 ZINC000183104254 525428719 /nfs/dbraw/zinc/42/87/19/525428719.db2.gz IDQFIUDYUKWFJM-MAUKXSAKSA-N 1 0 321.424 3.658 10 0 DHAERO C[C@@H]([NH2+]C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccccn1 ZINC000181804566 525477598 /nfs/dbraw/zinc/47/75/98/525477598.db2.gz BEVHKFNEXZUZQN-DOMZBBRYSA-N 1 0 315.804 3.579 10 0 DHAERO C[C@H]([NH2+]Cc1csc(Nc2ccccc2)n1)[C@@H]1CCCO1 ZINC000183102932 525483973 /nfs/dbraw/zinc/48/39/73/525483973.db2.gz PQMHOIOPWPPXMV-WFASDCNBSA-N 1 0 303.431 3.544 10 0 DHAERO COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128375305 525650075 /nfs/dbraw/zinc/65/00/75/525650075.db2.gz SLVJKARIKLEVHK-MRXNPFEDSA-N 1 0 321.424 3.571 10 0 DHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c(C)c1 ZINC000180532599 525940414 /nfs/dbraw/zinc/94/04/14/525940414.db2.gz UMQDERKMIMKAMQ-JKSUJKDBSA-N 1 0 312.461 3.684 10 0 DHAERO Cn1cc([C@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3)C2)cn1 ZINC000128414843 527318975 /nfs/dbraw/zinc/31/89/75/527318975.db2.gz USXJXWBFHBEHJY-LBPRGKRZSA-N 1 0 310.228 3.716 10 0 DHAERO [NH3+][C@H]1CCC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000144506318 527402419 /nfs/dbraw/zinc/40/24/19/527402419.db2.gz BUDXIUNTJMJZOQ-UXHICEINSA-N 1 0 322.452 3.733 10 0 DHAERO [NH3+][C@H]1CC[C@H](C(=O)N(Cc2ccccc2Cl)C2CCCC2)C1 ZINC000156313861 527415635 /nfs/dbraw/zinc/41/56/35/527415635.db2.gz USXBSNGJMWDJFO-ZFWWWQNUSA-N 1 0 320.864 3.739 10 0 DHAERO O[C@@H](CCc1ccccc1)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000182299449 527646749 /nfs/dbraw/zinc/64/67/49/527646749.db2.gz RKIKBMIIKGRPOO-DLBZAZTESA-N 1 0 316.470 3.664 10 0 DHAERO CCC[NH2+]C1CCN(c2ccc(Br)cc2F)CC1 ZINC000037635708 535158189 /nfs/dbraw/zinc/15/81/89/535158189.db2.gz CLYLPQAKLNZGKM-UHFFFAOYSA-N 1 0 315.230 3.557 10 0 DHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccc(Cl)cc1 ZINC000675055588 563909853 /nfs/dbraw/zinc/90/98/53/563909853.db2.gz VPMWPIUETPCXLE-KBPBESRZSA-N 1 0 310.825 3.739 10 0 DHAERO C[C@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)[NH2+]CCc1ccsc12 ZINC000712516446 563320065 /nfs/dbraw/zinc/32/00/65/563320065.db2.gz UHUADMJORYLNES-YVEFUNNKSA-N 1 0 322.474 3.509 10 0 DHAERO CCOc1c(C[NH2+]C(C)(C)C)cc(Br)cc1OC ZINC000010436524 563356689 /nfs/dbraw/zinc/35/66/89/563356689.db2.gz AXNSVAHKGXIQTQ-UHFFFAOYSA-N 1 0 316.239 3.745 10 0 DHAERO COc1ccccc1C[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013720883 563387373 /nfs/dbraw/zinc/38/73/73/563387373.db2.gz ZHLVEHPIYWEYCJ-UHFFFAOYSA-N 1 0 321.380 3.567 10 0 DHAERO [NH3+][C@@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000050329836 563468384 /nfs/dbraw/zinc/46/83/84/563468384.db2.gz JGUQDGUZDUJLES-SNVBAGLBSA-N 1 0 309.232 3.909 10 0 DHAERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)C[C@@H]1NC(=O)OC(C)(C)C ZINC000068592705 563494541 /nfs/dbraw/zinc/49/45/41/563494541.db2.gz PQHYEHZEEAWEJB-VYDXJSESSA-N 1 0 318.461 3.810 10 0 DHAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000724098176 563496498 /nfs/dbraw/zinc/49/64/98/563496498.db2.gz CTHLKEGCQWVSMN-SUMWQHHRSA-N 1 0 322.474 3.556 10 0 DHAERO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2ccsc21 ZINC000725242831 563525380 /nfs/dbraw/zinc/52/53/80/563525380.db2.gz WIGGZMBPPMPSKC-GUYCJALGSA-N 1 0 324.490 3.658 10 0 DHAERO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000101417861 563557494 /nfs/dbraw/zinc/55/74/94/563557494.db2.gz WZVGIPUTVFCAAB-BFYDXBDKSA-N 1 0 318.461 3.810 10 0 DHAERO Cc1ccc(F)c([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675054275 563861639 /nfs/dbraw/zinc/86/16/39/563861639.db2.gz MSJHDHLGDHJAQE-DOMZBBRYSA-N 1 0 308.397 3.533 10 0 DHAERO CCC[N@H+](C)Cc1cc(C)c(I)cc1C ZINC000675074923 563910894 /nfs/dbraw/zinc/91/08/94/563910894.db2.gz DGUNQJRMLYTPKB-UHFFFAOYSA-N 1 0 317.214 3.750 10 0 DHAERO CCCCc1nc(CN2CCC([NH+]3CCCC3)CC2)cs1 ZINC000051952906 1025787839 /nfs/dbraw/zinc/78/78/39/1025787839.db2.gz ANKPRNQMUJBEIB-UHFFFAOYSA-N 1 0 307.507 3.546 10 0 DHAERO C[N@H+](CC(=O)N1CCC[C@H]1c1cccs1)C1CCCCC1 ZINC000078954037 1031065262 /nfs/dbraw/zinc/06/52/62/1031065262.db2.gz LFPZEYGMKFEYNO-HNNXBMFYSA-N 1 0 306.475 3.676 10 0 DHAERO COc1cc([C@H]([NH3+])CC(C)C)c(OC)cc1Br ZINC000083256144 185221683 /nfs/dbraw/zinc/22/16/83/185221683.db2.gz AVHBNRGWNRUAJQ-LLVKDONJSA-N 1 0 302.212 3.512 10 0 DHAERO COc1cc2c(C3CC[NH2+]CC3)coc2c(Br)c1 ZINC000090516370 185299854 /nfs/dbraw/zinc/29/98/54/185299854.db2.gz APKIZVKKEFPFFL-UHFFFAOYSA-N 1 0 310.191 3.671 10 0 DHAERO CC(C)n1ncc2cc(C[NH2+]C3(C)Cc4ccccc4C3)cnc21 ZINC000092853788 185346534 /nfs/dbraw/zinc/34/65/34/185346534.db2.gz QBFQGQFUCXXAQC-UHFFFAOYSA-N 1 0 320.440 3.659 10 0 DHAERO O[C@@H]1CC2=C(C[C@@H]([NH+]3CCCCC3)C2)C[C@H]1Oc1ccccc1 ZINC000169343110 197744243 /nfs/dbraw/zinc/74/42/43/197744243.db2.gz RDTJXAFWVDQGMX-DFQSSKMNSA-N 1 0 313.441 3.534 10 0 DHAERO CC[C@@H](C)Oc1ccc(Br)cc1C[C@H]([NH3+])CC ZINC000037725400 190665146 /nfs/dbraw/zinc/66/51/46/190665146.db2.gz NTNHMFUQHFNNKV-ZWNOBZJWSA-N 1 0 300.240 3.906 10 0 DHAERO C[NH2+]C[C@H]1CC[C@@H](COc2cc(Cl)c(Cl)cc2Cl)O1 ZINC000052649318 190682971 /nfs/dbraw/zinc/68/29/71/190682971.db2.gz YEVGKJALPQQQFQ-BDAKNGLRSA-N 1 0 324.635 3.793 10 0 DHAERO Cc1ccc(OCc2ccc(F)cc2C[NH3+])c(Br)c1 ZINC000071264340 190949268 /nfs/dbraw/zinc/94/92/68/190949268.db2.gz HOJUVQXSPRDVMC-UHFFFAOYSA-N 1 0 324.193 3.934 10 0 DHAERO C[C@H](CC(=O)N[C@H](C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000150718052 186059566 /nfs/dbraw/zinc/05/95/66/186059566.db2.gz OLNDTAYBRWVCBR-CHWSQXEVSA-N 1 0 308.853 3.543 10 0 DHAERO CC[C@@H](O)c1ccc(OCC[NH2+][C@@H](C)Cc2ccccc2)cc1 ZINC000001842862 180898747 /nfs/dbraw/zinc/89/87/47/180898747.db2.gz DOBLSWXRNYSVDC-OXJNMPFZSA-N 1 0 313.441 3.730 10 0 in-man DHAERO CCC[C@@H]([NH3+])C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000236786747 202008594 /nfs/dbraw/zinc/00/85/94/202008594.db2.gz GHLDWIJTFJWAJD-LLVKDONJSA-N 1 0 300.855 3.906 10 0 DHAERO CC[NH+](CC)CCN1C(=O)c2ccccc2[C@@H]1c1ccccc1 ZINC000004214601 181085414 /nfs/dbraw/zinc/08/54/14/181085414.db2.gz ZNYIBRGXWAWBAL-IBGZPJMESA-N 1 0 308.425 3.574 10 0 in-man DHAERO CC(=O)Nc1ccc(/C=C\c2ccc3ccccc3[n+]2C)cc1 ZINC000005045616 181196355 /nfs/dbraw/zinc/19/63/55/181196355.db2.gz YSHCPONDEPKHBQ-UHFFFAOYSA-O 1 0 303.385 3.793 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000236903327 202063349 /nfs/dbraw/zinc/06/33/49/202063349.db2.gz BILCMBPHBFCRLQ-HZPDHXFCSA-N 1 0 308.853 3.911 10 0 DHAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc2[nH]ccc21 ZINC000186897831 200028809 /nfs/dbraw/zinc/02/88/09/200028809.db2.gz XBGKTJOXJASHCB-AWEZNQCLSA-N 1 0 314.433 3.554 10 0 DHAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc2[nH]ccc2c1 ZINC000186844739 200020695 /nfs/dbraw/zinc/02/06/95/200020695.db2.gz PNTVXWCYZQHCPT-CQSZACIVSA-N 1 0 314.433 3.554 10 0 DHAERO C[C@H](NC(=O)c1coc(C[NH3+])c1)c1ccc(C(C)(C)C)cc1 ZINC000187359385 200100289 /nfs/dbraw/zinc/10/02/89/200100289.db2.gz AVKVEPDKXLPRGF-LBPRGKRZSA-N 1 0 300.402 3.527 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)cc2)cc1OC ZINC000019420854 182122248 /nfs/dbraw/zinc/12/22/48/182122248.db2.gz SQDNYMOREHZELK-HNNXBMFYSA-N 1 0 322.202 3.514 10 0 DHAERO COc1cc(OC)cc([C@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000019415402 182122695 /nfs/dbraw/zinc/12/26/95/182122695.db2.gz ZZTSGXRYJKSTSV-OAHLLOKOSA-N 1 0 322.202 3.514 10 0 DHAERO CN(c1ccccc1)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000019423261 182122720 /nfs/dbraw/zinc/12/27/20/182122720.db2.gz FSTXIQCVABVRLL-OAHLLOKOSA-N 1 0 305.219 3.585 10 0 DHAERO [NH3+][C@@H](c1ccc(Br)cc1)c1ccc2c(c1)CCC2 ZINC000019474806 182124222 /nfs/dbraw/zinc/12/42/22/182124222.db2.gz ZWSMBXXMQMMLTB-INIZCTEOSA-N 1 0 302.215 3.986 10 0 DHAERO [NH3+][C@H]1CN(Cc2ccc(F)cc2)c2ccc(Br)cc21 ZINC000019795898 182150817 /nfs/dbraw/zinc/15/08/17/182150817.db2.gz GPVBMZJVLBXOIU-AWEZNQCLSA-N 1 0 321.193 3.608 10 0 DHAERO CC[C@H]([NH2+]CCN(CC)CC)c1ccc(Br)cc1 ZINC000019919506 182164541 /nfs/dbraw/zinc/16/45/41/182164541.db2.gz VYLJKPSQQDYRHO-HNNXBMFYSA-N 1 0 313.283 3.832 10 0 DHAERO [NH3+][C@@H](Cc1ccc(Br)cc1)c1ccc(F)cc1F ZINC000019968938 182171481 /nfs/dbraw/zinc/17/14/81/182171481.db2.gz QPTGMMGHMDONEG-AWEZNQCLSA-N 1 0 312.157 3.970 10 0 DHAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])[C@H]1C[C@@H]1C ZINC000019967849 182171764 /nfs/dbraw/zinc/17/17/64/182171764.db2.gz PWIZOYPNVOURNW-GEOGLEFRSA-N 1 0 304.615 3.767 10 0 DHAERO [NH3+][C@H](c1ccc(F)c(F)c1)c1cc(F)ccc1Br ZINC000019968379 182171808 /nfs/dbraw/zinc/17/18/08/182171808.db2.gz KTYNXTVMOAHXFW-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO CN(CCc1ccccn1)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000019988812 182174307 /nfs/dbraw/zinc/17/43/07/182174307.db2.gz GXFYCMLIMGBJOZ-HNNXBMFYSA-N 1 0 324.255 3.563 10 0 DHAERO CCC[NH+](CCC)[C@H](CN)c1ccc(OC(F)(F)F)cc1 ZINC000019995016 182175133 /nfs/dbraw/zinc/17/51/33/182175133.db2.gz VBPOVIUUSKELHP-CQSZACIVSA-N 1 0 304.356 3.707 10 0 DHAERO [NH3+]C1(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCCCC1 ZINC000020013430 182177718 /nfs/dbraw/zinc/17/77/18/182177718.db2.gz BZEFUQBQICPKQK-UHFFFAOYSA-N 1 0 320.742 3.959 10 0 DHAERO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](N)c2cccc(C(F)(F)F)c2)C1 ZINC000020022954 182179867 /nfs/dbraw/zinc/17/98/67/182179867.db2.gz YEFMNVRZMOMKLW-LALPHHSUSA-N 1 0 300.368 3.683 10 0 DHAERO COc1ccc([C@H]([NH3+])Cc2ccc(F)cc2)cc1Br ZINC000020522161 182227240 /nfs/dbraw/zinc/22/72/40/182227240.db2.gz GSXOTUJHJAMDSI-CQSZACIVSA-N 1 0 324.193 3.839 10 0 DHAERO CCCCC[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020933738 182255403 /nfs/dbraw/zinc/25/54/03/182255403.db2.gz NRESVGDUMIHENJ-UHFFFAOYSA-N 1 0 316.239 3.746 10 0 DHAERO CCCOc1ccc(Cl)cc1CNC[C@@H]1CCC[N@@H+]1CC ZINC000020967824 182256766 /nfs/dbraw/zinc/25/67/66/182256766.db2.gz PNBCDQZHMVGTSR-INIZCTEOSA-N 1 0 310.869 3.703 10 0 DHAERO Cc1ccc(N[C@@H](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000037208944 182872104 /nfs/dbraw/zinc/87/21/04/182872104.db2.gz JFBZUDLYNKEIBD-LBPRGKRZSA-N 1 0 311.267 3.900 10 0 DHAERO C[C@@H]([NH2+]Cc1cc2cccc3c2n(c1=O)CCC3)c1ccccc1 ZINC000039287249 183016580 /nfs/dbraw/zinc/01/65/80/183016580.db2.gz GGSXHLSSTKTVGE-OAHLLOKOSA-N 1 0 318.420 3.799 10 0 DHAERO COc1ccc(CNCC2([NH+]3CCCC3)CCC(C)CC2)cc1 ZINC000040165700 183042473 /nfs/dbraw/zinc/04/24/73/183042473.db2.gz MFVQRNAQFJNUIB-UHFFFAOYSA-N 1 0 316.489 3.830 10 0 DHAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccn1 ZINC000040226330 183047933 /nfs/dbraw/zinc/04/79/33/183047933.db2.gz LPHPOABZJZOYOT-HNNXBMFYSA-N 1 0 303.203 3.621 10 0 DHAERO C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000040417893 183063472 /nfs/dbraw/zinc/06/34/72/183063472.db2.gz KHPYMFPMGFKEIJ-UHFFFAOYSA-N 1 0 319.330 3.823 10 0 DHAERO CCCC[N@H+](CC)CC[C@@H](O)c1ccc(Br)cc1 ZINC000041145271 183176076 /nfs/dbraw/zinc/17/60/76/183176076.db2.gz VYMDJANIDNUFQK-OAHLLOKOSA-N 1 0 314.267 3.995 10 0 DHAERO O[C@H](CC[NH+]1CCCCCC1)c1ccc(Br)cc1 ZINC000041145250 183176221 /nfs/dbraw/zinc/17/62/21/183176221.db2.gz BWTZSGXIFGZOMV-OAHLLOKOSA-N 1 0 312.251 3.749 10 0 DHAERO COc1ccc(C[C@H](C[NH3+])Cc2ccc(Cl)cc2)cc1F ZINC000041540901 183200346 /nfs/dbraw/zinc/20/03/46/183200346.db2.gz SSHZUGKZBCLQFP-CQSZACIVSA-N 1 0 307.796 3.848 10 0 DHAERO [NH3+]C[C@@H](Cc1cccc(Br)c1)c1ccc(F)cc1 ZINC000041541251 183200814 /nfs/dbraw/zinc/20/08/14/183200814.db2.gz DVHNPTSOSURLQS-CYBMUJFWSA-N 1 0 308.194 3.873 10 0 DHAERO CCC[N@H+](CC1CC1)[C@@H](CN)c1ccc(Br)s1 ZINC000042317669 183253110 /nfs/dbraw/zinc/25/31/10/183253110.db2.gz WPKOWALLBODRHC-NSHDSACASA-N 1 0 317.296 3.632 10 0 DHAERO CCC(CC)[C@@H](C[NH3+])N(C)Cc1cc(Br)cs1 ZINC000042398485 183264486 /nfs/dbraw/zinc/26/44/86/183264486.db2.gz JJFIDXSPICGVSO-CYBMUJFWSA-N 1 0 319.312 3.706 10 0 DHAERO CN(Cc1cscn1)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042863897 183315125 /nfs/dbraw/zinc/31/51/25/183315125.db2.gz RYVMWXSMUHWMGN-CYBMUJFWSA-N 1 0 316.257 3.582 10 0 DHAERO C[C@H]([NH3+])[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC000042903185 183317690 /nfs/dbraw/zinc/31/76/90/183317690.db2.gz CUEBBYBUOCUTCX-XHDPSFHLSA-N 1 0 306.203 3.916 10 0 DHAERO [NH3+]C[C@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC000042899970 183317858 /nfs/dbraw/zinc/31/78/58/183317858.db2.gz DBHDEYZLOTVJHW-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CC1CC1 ZINC000042954045 183321564 /nfs/dbraw/zinc/32/15/64/183321564.db2.gz DAQKWBGQDUDPAR-HUUCEWRRSA-N 1 0 311.267 3.569 10 0 DHAERO CC[C@@H](N)[C@@H](c1ccc(Br)cc1)[N@H+](CC)C(C)C ZINC000042952815 183322152 /nfs/dbraw/zinc/32/21/52/183322152.db2.gz PKPDXXYATVWTEE-HUUCEWRRSA-N 1 0 313.283 3.958 10 0 DHAERO CC(C)C[C@H](C)O[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957497 183322704 /nfs/dbraw/zinc/32/27/04/183322704.db2.gz NMPALDWMLFMENW-SMDDNHRTSA-N 1 0 300.240 3.900 10 0 DHAERO COc1ccccc1O[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042956925 183322728 /nfs/dbraw/zinc/32/27/28/183322728.db2.gz WAAUNLCZAIJPES-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)n1nc(C)cc1C ZINC000042955897 183322813 /nfs/dbraw/zinc/32/28/13/183322813.db2.gz RTGHLEQLNVTWCS-CABCVRRESA-N 1 0 322.250 3.589 10 0 DHAERO [NH3+]C[C@@H](OCc1cccs1)c1ccc(Br)cc1 ZINC000042958488 183323713 /nfs/dbraw/zinc/32/37/13/183323713.db2.gz JEJQLHDYHCXJRY-CYBMUJFWSA-N 1 0 312.232 3.727 10 0 DHAERO [NH3+]C[C@@H](SCc1ccco1)c1ccc(Br)cc1 ZINC000042959304 183323808 /nfs/dbraw/zinc/32/38/08/183323808.db2.gz IECKWVBYYLTQIR-CYBMUJFWSA-N 1 0 312.232 3.975 10 0 DHAERO CC[C@H](C)C[N@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020412 183328545 /nfs/dbraw/zinc/32/85/45/183328545.db2.gz XBIXNMOCKUMCPN-YWPYICTPSA-N 1 0 313.283 3.815 10 0 DHAERO CCCC[N@H+](CC)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020137 183328552 /nfs/dbraw/zinc/32/85/52/183328552.db2.gz MRRGCITYYHVKBI-DOMZBBRYSA-N 1 0 313.283 3.959 10 0 DHAERO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@H+](CC)C(C)C ZINC000043020321 183328591 /nfs/dbraw/zinc/32/85/91/183328591.db2.gz BARSZRFBCOGEMA-LSDHHAIUSA-N 1 0 313.283 3.958 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CC)C1CC1 ZINC000043020298 183328874 /nfs/dbraw/zinc/32/88/74/183328874.db2.gz DMKBRCXWHYYRSK-HUUCEWRRSA-N 1 0 311.267 3.712 10 0 DHAERO Cc1nn([C@H](c2cccc(Br)c2)[C@@H](C)[NH3+])c(C)c1C ZINC000043022211 183329671 /nfs/dbraw/zinc/32/96/71/183329671.db2.gz WBNDHTLCLLRJAY-BMIGLBTASA-N 1 0 322.250 3.507 10 0 DHAERO CC[C@@H]1CCCN1[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021034 183329881 /nfs/dbraw/zinc/32/98/81/183329881.db2.gz PAMNTJIYZDKJSC-KCPJHIHWSA-N 1 0 311.267 3.712 10 0 DHAERO CC(C)C[C@H](C)O[C@@H](C[NH3+])c1ccccc1Br ZINC000043094793 183337517 /nfs/dbraw/zinc/33/75/17/183337517.db2.gz SIIHMPRURMRVTG-FZMZJTMJSA-N 1 0 300.240 3.900 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N1CCC(C)CC1 ZINC000043090295 183335047 /nfs/dbraw/zinc/33/50/47/183335047.db2.gz CGGWJXOILXTNRI-IUODEOHRSA-N 1 0 311.267 3.569 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CCC(C)CC1 ZINC000043090304 183335610 /nfs/dbraw/zinc/33/56/10/183335610.db2.gz CGGWJXOILXTNRI-WFASDCNBSA-N 1 0 311.267 3.569 10 0 DHAERO CCCN(CCC)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043090612 183336212 /nfs/dbraw/zinc/33/62/12/183336212.db2.gz KWFQZZOCBBMPRK-DOMZBBRYSA-N 1 0 313.283 3.959 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)N(CC)C1CC1 ZINC000043091204 183336248 /nfs/dbraw/zinc/33/62/48/183336248.db2.gz XZMGRNKMLYEXQH-GJZGRUSLSA-N 1 0 311.267 3.712 10 0 DHAERO [NH3+]C[C@@H](OCc1ccccc1)c1ccccc1Br ZINC000043093965 183336532 /nfs/dbraw/zinc/33/65/32/183336532.db2.gz RIWKXWSLORYPPG-OAHLLOKOSA-N 1 0 306.203 3.666 10 0 DHAERO CCn1cnnc1C1CC[NH+]([C@H](C)c2cccc(Cl)c2)CC1 ZINC000105928492 194172767 /nfs/dbraw/zinc/17/27/67/194172767.db2.gz FMXJENPJRVBYSB-CYBMUJFWSA-N 1 0 318.852 3.892 10 0 DHAERO C[C@H](c1cccc(Cl)c1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106080084 194184223 /nfs/dbraw/zinc/18/42/23/194184223.db2.gz XIPFJSNTIMXNFG-CYBMUJFWSA-N 1 0 316.836 3.768 10 0 DHAERO CCC[C@H](Cc1cc(Br)ccc1OC)[NH2+]CC ZINC000049599629 183746975 /nfs/dbraw/zinc/74/69/75/183746975.db2.gz GXDDOJHNTZEKIU-CYBMUJFWSA-N 1 0 300.240 3.778 10 0 DHAERO FC(F)(F)c1cnc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000051871198 183839924 /nfs/dbraw/zinc/83/99/24/183839924.db2.gz LFSMYEPVDURVHW-SNVBAGLBSA-N 1 0 308.731 3.665 10 0 DHAERO CCC[NH2+]C[C@H]1CCN(c2cc(Br)ccc2C)C1 ZINC000053031329 183883834 /nfs/dbraw/zinc/88/38/34/183883834.db2.gz GURWCFMBFIFTJK-CYBMUJFWSA-N 1 0 311.267 3.583 10 0 DHAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000057382231 184037112 /nfs/dbraw/zinc/03/71/12/184037112.db2.gz FIUHJDQRRJVKND-LLVKDONJSA-N 1 0 306.768 3.768 10 0 DHAERO C[NH2+][C@@H](C)c1ccc(OCc2ccco2)c(Br)c1 ZINC000061698717 184183876 /nfs/dbraw/zinc/18/38/76/184183876.db2.gz USMOOKHOQYMSDI-JTQLQIEISA-N 1 0 310.191 3.902 10 0 DHAERO CCOC(=O)C[C@H](C)C[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000061830368 184188893 /nfs/dbraw/zinc/18/88/93/184188893.db2.gz GGIXYEWDDQEXTC-RNCFNFMXSA-N 1 0 304.217 3.973 10 0 DHAERO C[N@@H+]1CC[C@@H](Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000061988882 184200065 /nfs/dbraw/zinc/20/00/65/184200065.db2.gz FVLQNJKKSKGHMZ-SECBINFHSA-N 1 0 323.156 3.584 10 0 DHAERO CC(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCCO ZINC000062732911 184251536 /nfs/dbraw/zinc/25/15/36/184251536.db2.gz JNMKGBHOLQHSFS-UHFFFAOYSA-N 1 0 306.233 3.643 10 0 DHAERO Cc1ccc(NC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1Cl ZINC000262326222 335083432 /nfs/dbraw/zinc/08/34/32/335083432.db2.gz RUGDBQYLFLXVQO-UHFFFAOYSA-N 1 0 321.852 3.644 10 0 DHAERO Cn1nccc1C1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179848679 331547135 /nfs/dbraw/zinc/54/71/35/331547135.db2.gz SSGYIMMWAYLLCJ-NSCUHMNNSA-N 1 0 315.848 3.966 10 0 DHAERO [NH3+]C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000127315568 332001141 /nfs/dbraw/zinc/00/11/41/332001141.db2.gz OKEZWMJEIZWSQC-AWEZNQCLSA-N 1 0 315.244 3.631 10 0 DHAERO CCC[NH+]1CCC(N[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000128947983 332015822 /nfs/dbraw/zinc/01/58/22/332015822.db2.gz NWNGWAAVZBXKOV-KRWDZBQOSA-N 1 0 302.462 3.753 10 0 DHAERO CSc1cccc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000130033925 332022226 /nfs/dbraw/zinc/02/22/26/332022226.db2.gz SSQHFVRMOQEHQU-MLGOLLRUSA-N 1 0 300.427 3.683 10 0 DHAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000261604952 332293938 /nfs/dbraw/zinc/29/39/38/332293938.db2.gz CQTNBGUDFRCDDY-XJKCOSOUSA-N 1 0 313.388 3.766 10 0 DHAERO C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000261625315 332433986 /nfs/dbraw/zinc/43/39/86/332433986.db2.gz BICAWYJQWWYZJU-GDBMZVCRSA-N 1 0 315.461 3.758 10 0 DHAERO OCCCSCC[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000105643790 332990415 /nfs/dbraw/zinc/99/04/15/332990415.db2.gz KBSAIMWWSFKWSB-UHFFFAOYSA-N 1 0 307.484 3.620 10 0 DHAERO COCCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000178027137 333001073 /nfs/dbraw/zinc/00/10/73/333001073.db2.gz QGTUSAFKVOVHTI-NEPJUHHUSA-N 1 0 300.240 3.915 10 0 DHAERO Cc1ccccc1[C@H]([NH2+]CCCn1cccn1)c1ccccc1 ZINC000180052599 333026849 /nfs/dbraw/zinc/02/68/49/333026849.db2.gz OTKPBMRBXLKHHM-HXUWFJFHSA-N 1 0 305.425 3.961 10 0 DHAERO Cc1ccc(C)c(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190490531 333271551 /nfs/dbraw/zinc/27/15/51/333271551.db2.gz VBYSBBNSWCSRRF-FQEVSTJZSA-N 1 0 323.484 3.652 10 0 DHAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000390577065 333302456 /nfs/dbraw/zinc/30/24/56/333302456.db2.gz GDIQFAWUHLEDFL-CABCVRRESA-N 1 0 313.397 3.671 10 0 DHAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)COCc1ccccc1)CC2 ZINC000390580230 333303654 /nfs/dbraw/zinc/30/36/54/333303654.db2.gz IKMVXLBYYHPQLN-YWZLYKJASA-N 1 0 311.425 3.877 10 0 DHAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000390662870 333312529 /nfs/dbraw/zinc/31/25/29/333312529.db2.gz SRPMXQFEPQCUSI-ZWKOPEQDSA-N 1 0 300.265 3.994 10 0 DHAERO O[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000388587228 333359025 /nfs/dbraw/zinc/35/90/25/333359025.db2.gz XTWKFKYVTYLTSY-VBNZEHGJSA-N 1 0 324.262 3.577 10 0 DHAERO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049129609 334315167 /nfs/dbraw/zinc/31/51/67/334315167.db2.gz GSSAAUDDPNWNHF-NSHDSACASA-N 1 0 308.834 3.999 10 0 DHAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000101563250 334327501 /nfs/dbraw/zinc/32/75/01/334327501.db2.gz FOCSGKLGHSREKN-OAHLLOKOSA-N 1 0 316.470 3.782 10 0 DHAERO Cc1cccc([C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)C(C)(C)C)c1 ZINC000161593984 334891301 /nfs/dbraw/zinc/89/13/01/334891301.db2.gz RFBIEOHKTVRPPB-ULQDDVLXSA-N 1 0 302.462 3.716 10 0 DHAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)Nc3ccccc32)c2ccccc2O1 ZINC000333708048 336208573 /nfs/dbraw/zinc/20/85/73/336208573.db2.gz PHFYGVYNRSMNNX-JEBQAFNWSA-N 1 0 322.408 3.962 10 0 DHAERO Cc1ccc(NC(=O)CCNc2cc(C)[nH+]c3ccccc23)nc1 ZINC000301231349 336295950 /nfs/dbraw/zinc/29/59/50/336295950.db2.gz JOBBZQLHOHZXNQ-UHFFFAOYSA-N 1 0 320.396 3.687 10 0 DHAERO Cc1cccc(C[NH+]2CCC(Nc3nc(C(C)C)no3)CC2)c1 ZINC000301340415 336301504 /nfs/dbraw/zinc/30/15/04/336301504.db2.gz PYDCWTPYTPEKJD-UHFFFAOYSA-N 1 0 314.433 3.578 10 0 DHAERO CNC(=O)c1cccc(CCNc2cc[nH+]c3c(C)cccc23)c1 ZINC000301659987 336321312 /nfs/dbraw/zinc/32/13/12/336321312.db2.gz IZZJJTWGZLXFBF-UHFFFAOYSA-N 1 0 319.408 3.557 10 0 DHAERO COc1cccc([C@H](O)CNc2cc[nH+]c3c(C)cccc23)c1 ZINC000301684400 336323223 /nfs/dbraw/zinc/32/32/23/336323223.db2.gz TWGXXRNMMAIFOL-GOSISDBHSA-N 1 0 308.381 3.697 10 0 DHAERO Cc1cccc2c(NCCCOCC3CCOCC3)cc[nH+]c12 ZINC000301687043 336323485 /nfs/dbraw/zinc/32/34/85/336323485.db2.gz UZMANLDPAVKEBW-UHFFFAOYSA-N 1 0 314.429 3.788 10 0 DHAERO O[C@@H]1CCC[C@@H]1CNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000301798328 336330676 /nfs/dbraw/zinc/33/06/76/336330676.db2.gz RBAFNVRMRGFSSZ-MEBBXXQBSA-N 1 0 310.319 3.827 10 0 DHAERO Cc1cccc2c(N3CCN(CC(F)(F)F)[C@H](C)C3)cc[nH+]c12 ZINC000301896800 336336803 /nfs/dbraw/zinc/33/68/03/336336803.db2.gz UYRVBKMENIQABT-CYBMUJFWSA-N 1 0 323.362 3.616 10 0 DHAERO CCC1(CC)CN(c2cc[nH+]c3ccc(C)cc32)CC[S@@]1=O ZINC000302223564 336354868 /nfs/dbraw/zinc/35/48/68/336354868.db2.gz PRHQNEQIQJYXRI-QFIPXVFZSA-N 1 0 316.470 3.671 10 0 DHAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000193357527 336701436 /nfs/dbraw/zinc/70/14/36/336701436.db2.gz WUOUONCAHBZLGP-KXBFYZLASA-N 1 0 301.430 3.668 10 0 DHAERO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CCS1 ZINC000171690779 337088550 /nfs/dbraw/zinc/08/85/50/337088550.db2.gz AJJNRZAADQUGQN-LLVKDONJSA-N 1 0 305.365 3.565 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000177018323 337152784 /nfs/dbraw/zinc/15/27/84/337152784.db2.gz HKENATQWYBGPHG-CQSZACIVSA-N 1 0 315.244 3.550 10 0 DHAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nc(C(C)C)nn3C1)CCC2 ZINC000180643897 337176981 /nfs/dbraw/zinc/17/69/81/337176981.db2.gz AULUASQYBZGTOX-AEFFLSMTSA-N 1 0 324.472 3.692 10 0 DHAERO CC[C@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(Br)c1 ZINC000222702561 337180152 /nfs/dbraw/zinc/18/01/52/337180152.db2.gz MUJWBCQRIQUCAF-GJZGRUSLSA-N 1 0 311.267 3.584 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)c2cccs2)C12CCOCC2 ZINC000186338442 337256691 /nfs/dbraw/zinc/25/66/91/337256691.db2.gz RMEUGQDVJVEQNH-LSDHHAIUSA-N 1 0 323.502 3.590 10 0 DHAERO C[C@H](c1cccc(F)c1)[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188093824 337270444 /nfs/dbraw/zinc/27/04/44/337270444.db2.gz KFWUALKSPMSPEW-VMGRFDJRSA-N 1 0 305.418 3.656 10 0 DHAERO C[C@H]([NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)c1nnc2n1CCCC2 ZINC000188089086 337270450 /nfs/dbraw/zinc/27/04/50/337270450.db2.gz SRROPRBJSNQAJY-RIFZZMRRSA-N 1 0 324.472 3.775 10 0 DHAERO CC[C@@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1cccc(F)c1 ZINC000188184428 337271188 /nfs/dbraw/zinc/27/11/88/337271188.db2.gz GKYOUTFXFPDNQW-HZPDHXFCSA-N 1 0 316.424 3.596 10 0 DHAERO Cc1csc([C@@H]2CCC[N@H+](C[C@H](O)CC3CCCC3)C2)n1 ZINC000191321558 337295861 /nfs/dbraw/zinc/29/58/61/337295861.db2.gz QEZMUQFAMKMSHN-HZPDHXFCSA-N 1 0 308.491 3.572 10 0 DHAERO CCN(CCNc1cccc2ccccc21)CC[NH+](CC)CC ZINC000584614359 337372620 /nfs/dbraw/zinc/37/26/20/337372620.db2.gz FTDMZXWOKCYKAO-UHFFFAOYSA-N 1 0 313.489 3.915 10 0 DHAERO CC(C)Oc1ccc2cnn(-c3cc[nH+]c(N4CCCC4)c3)c2c1 ZINC000584617725 337373085 /nfs/dbraw/zinc/37/30/85/337373085.db2.gz IGPDFGQHNLOLRA-UHFFFAOYSA-N 1 0 322.412 3.808 10 0 DHAERO CC(C)(C)C[C@H](CO)[NH2+]CCc1c(Cl)cccc1Cl ZINC000584620520 337373343 /nfs/dbraw/zinc/37/33/43/337373343.db2.gz SUBOHNJQHJGFCE-LLVKDONJSA-N 1 0 304.261 3.923 10 0 DHAERO CC[C@@H](CCOC)c1cc2c(cc1[C@H](C)[NH3+])NC(=O)CC2(C)C ZINC000584654416 337377779 /nfs/dbraw/zinc/37/77/79/337377779.db2.gz NBSAWNYYERHPSM-STQMWFEESA-N 1 0 318.461 3.856 10 0 DHAERO Cc1ccc2ccn(-c3ccc(Br)cc3C[NH3+])c2n1 ZINC000584662119 337378449 /nfs/dbraw/zinc/37/84/49/337378449.db2.gz PHYMHZBVPMVGSV-UHFFFAOYSA-N 1 0 316.202 3.555 10 0 DHAERO CC[NH+](CC)CCOc1ccc(Nc2ccnc(Cl)n2)cc1 ZINC000584637329 337379455 /nfs/dbraw/zinc/37/94/55/337379455.db2.gz QLPUVROFXIYMRF-UHFFFAOYSA-N 1 0 320.824 3.594 10 0 DHAERO C[NH+](C)C[C@H](Cc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000584652620 337381139 /nfs/dbraw/zinc/38/11/39/337381139.db2.gz WQBLSXDKAKBJRV-INIZCTEOSA-N 1 0 301.817 3.943 10 0 DHAERO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)c2ccccc21 ZINC000246485884 337551955 /nfs/dbraw/zinc/55/19/55/337551955.db2.gz RPQYBAGQCXGUKN-JTDSTZFVSA-N 1 0 322.456 3.674 10 0 DHAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000248833978 337567832 /nfs/dbraw/zinc/56/78/32/337567832.db2.gz GCQUZKCXOIZHKN-RDBSUJKOSA-N 1 0 324.350 3.605 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2)C12CCOCC2 ZINC000249010333 337569284 /nfs/dbraw/zinc/56/92/84/337569284.db2.gz OOBKLJYGFNMJCF-KZNAEPCWSA-N 1 0 321.436 3.841 10 0 DHAERO Cc1csc(-c2cccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])c2)n1 ZINC000261677164 337608400 /nfs/dbraw/zinc/60/84/00/337608400.db2.gz GNDGXMRKNCRLBL-SWLSCSKDSA-N 1 0 315.442 3.575 10 0 DHAERO Cc1ccccc1[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)(C)C ZINC000261855026 337611642 /nfs/dbraw/zinc/61/16/42/337611642.db2.gz WEENDTQEBQPVRF-DJIMGWMZSA-N 1 0 302.462 3.573 10 0 DHAERO C[C@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000261912447 337612470 /nfs/dbraw/zinc/61/24/70/337612470.db2.gz XRLLJBHPFNLBOD-GWFLUQINSA-N 1 0 314.473 3.546 10 0 DHAERO [NH3+]C1(c2noc(/C=C/c3ccc(SC(F)F)cc3)n2)CCC1 ZINC000261951932 337613041 /nfs/dbraw/zinc/61/30/41/337613041.db2.gz OBZKXLJJQCGKHG-QPJJXVBHSA-N 1 0 323.368 3.893 10 0 DHAERO Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262522648 337619827 /nfs/dbraw/zinc/61/98/27/337619827.db2.gz KVXBTZGZDIPCRV-LBPRGKRZSA-N 1 0 306.475 3.680 10 0 DHAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)ccc1Cl ZINC000120214963 337871561 /nfs/dbraw/zinc/87/15/61/337871561.db2.gz VEZQLPMTTNAKSP-LBPRGKRZSA-N 1 0 317.260 3.700 10 0 DHAERO CCc1ccc([C@@H](CC)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089732667 337873258 /nfs/dbraw/zinc/87/32/58/337873258.db2.gz SDMMCEVYOKXQOB-RBUKOAKNSA-N 1 0 324.472 3.749 10 0 DHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(OC(F)F)cc1OC(F)F ZINC000120527972 337876258 /nfs/dbraw/zinc/87/62/58/337876258.db2.gz SRNFPTUUSOIFDI-FYBVGQRMSA-N 1 0 307.287 3.948 10 0 DHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCCCC2)cc1F ZINC000120919801 337881709 /nfs/dbraw/zinc/88/17/09/337881709.db2.gz OSDCMMXHHJTPPR-GJZGRUSLSA-N 1 0 306.425 3.576 10 0 DHAERO Cc1ccc(-c2ccc(C[NH+]3CCC(n4cncn4)CC3)o2)cc1 ZINC000092648138 337906860 /nfs/dbraw/zinc/90/68/60/337906860.db2.gz VWJPHZFPSAJVAH-UHFFFAOYSA-N 1 0 322.412 3.684 10 0 DHAERO CC(C)C[C@H](CO)[NH2+]Cc1ccc(Cl)cc1Br ZINC000149749088 338120391 /nfs/dbraw/zinc/12/03/91/338120391.db2.gz PNAMUJDKZOSFQJ-GFCCVEGCSA-N 1 0 320.658 3.599 10 0 DHAERO CC1(C)C[C@H]([NH2+]Cc2cccc3c2OCO3)c2ccccc2O1 ZINC000153082936 338216076 /nfs/dbraw/zinc/21/60/76/338216076.db2.gz RRIRTUAINGOFCI-HNNXBMFYSA-N 1 0 311.381 3.807 10 0 DHAERO CC/C=C\CC[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000434494713 338218465 /nfs/dbraw/zinc/21/84/65/338218465.db2.gz PSNXFWTZJZEXFI-OGZRUICASA-N 1 0 307.507 3.562 10 0 DHAERO C[C@H]1CC(C[NH2+]Cc2cccc(Br)c2)C[C@H](C)O1 ZINC000466425188 339204337 /nfs/dbraw/zinc/20/43/37/339204337.db2.gz KWWWEVXHEYBLCO-RYUDHWBXSA-N 1 0 312.251 3.742 10 0 DHAERO C[C@H]1CC(C[NH2+]C2CC(OCc3ccccc3)C2)C[C@H](C)O1 ZINC000467435366 339238437 /nfs/dbraw/zinc/23/84/37/339238437.db2.gz XWWJUGSQUCYXAD-GKVPXEHWSA-N 1 0 303.446 3.527 10 0 DHAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccccc1I ZINC000308856296 340237236 /nfs/dbraw/zinc/23/72/36/340237236.db2.gz PZNNYLOLKRCRCI-QWRGUYRKSA-N 1 0 317.214 3.986 10 0 DHAERO C[C@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCC[NH2+]1 ZINC000301770186 340261060 /nfs/dbraw/zinc/26/10/60/340261060.db2.gz FWLMWJYFNPGPIT-HXUWFJFHSA-N 1 0 324.424 3.736 10 0 DHAERO C[C@H]1C[C@@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC(C)(C)C1 ZINC000183976953 340490210 /nfs/dbraw/zinc/49/02/10/340490210.db2.gz OJXRGAIBXZIKHI-FUHWJXTLSA-N 1 0 320.521 3.783 10 0 DHAERO CC[NH+](CC)C[C@@H](C)NCc1cc(C(F)(F)F)ccc1F ZINC000134653287 341221044 /nfs/dbraw/zinc/22/10/44/341221044.db2.gz KGYVYHIMLFKADF-LLVKDONJSA-N 1 0 306.347 3.664 10 0 DHAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(Cl)c1C ZINC000245424178 341292930 /nfs/dbraw/zinc/29/29/30/341292930.db2.gz CCEMKAOEHLXGRO-KBPBESRZSA-N 1 0 321.852 3.739 10 0 DHAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000245934876 341318854 /nfs/dbraw/zinc/31/88/54/341318854.db2.gz VLBHYSQDFDNVKT-OALUTQOASA-N 1 0 324.424 3.645 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2cccnc2)C1(C)C ZINC000245954872 341319572 /nfs/dbraw/zinc/31/95/72/341319572.db2.gz XEPVOMCYSRNISQ-IPMKNSEASA-N 1 0 310.441 3.964 10 0 DHAERO CC(C)Sc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246737632 341356539 /nfs/dbraw/zinc/35/65/39/341356539.db2.gz AWLBYWQBYAGULC-RHSMWYFYSA-N 1 0 320.502 3.646 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)(F)F)[C@H]1CCCO1 ZINC000247175215 341361844 /nfs/dbraw/zinc/36/18/44/341361844.db2.gz UWCQOZLEXBVLCA-DMDPSCGWSA-N 1 0 303.324 3.803 10 0 DHAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000248628503 341382147 /nfs/dbraw/zinc/38/21/47/341382147.db2.gz ZITIWCPPVYYTBQ-ULQDDVLXSA-N 1 0 308.510 3.639 10 0 DHAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000248661559 341383543 /nfs/dbraw/zinc/38/35/43/341383543.db2.gz XHUDJERCUHPZFZ-PBHICJAKSA-N 1 0 311.853 3.655 10 0 DHAERO CC[C@@H]1C[N@H+](CC[C@H](C)CCC=C(C)C)CCN1C[C@H](C)O ZINC000248665009 341383613 /nfs/dbraw/zinc/38/36/13/341383613.db2.gz KZYWFUGPMTUKRJ-CEXWTWQISA-N 1 0 310.526 3.536 10 0 DHAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000249095654 341393837 /nfs/dbraw/zinc/39/38/37/341393837.db2.gz OGMQFEJYQLNXAF-DAYGRLMNSA-N 1 0 321.486 3.733 10 0 DHAERO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000249893256 341401840 /nfs/dbraw/zinc/40/18/40/341401840.db2.gz FIVAEGIGCQSPRI-FZQKWOKYSA-N 1 0 313.228 3.853 10 0 DHAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cc2cc(Br)ccc2o1 ZINC000091415957 341425942 /nfs/dbraw/zinc/42/59/42/341425942.db2.gz UYNQDVUZVMWAQR-TTXORMCVSA-N 1 0 324.218 3.617 10 0 DHAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000261985273 341510690 /nfs/dbraw/zinc/51/06/90/341510690.db2.gz PYERFGVJYDHIPN-AUUYWEPGSA-N 1 0 306.409 3.571 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(F)cc1OC(F)F ZINC000153817849 341579625 /nfs/dbraw/zinc/57/96/25/341579625.db2.gz SZHALCASRAJPHX-MISXGVKJSA-N 1 0 317.351 3.629 10 0 DHAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000178861550 517384536 /nfs/dbraw/zinc/38/45/36/517384536.db2.gz VXUMAXTUYTUSJS-ZWKOTPCHSA-N 1 0 305.462 3.684 10 0 DHAERO CCC[NH2+]CCC[C@H](C)n1nc(C)c(Br)c1C ZINC000052573669 517590160 /nfs/dbraw/zinc/59/01/60/517590160.db2.gz VUFKENZUJMZYFM-JTQLQIEISA-N 1 0 302.260 3.603 10 0 DHAERO CC(C)(C)[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000246561372 518964645 /nfs/dbraw/zinc/96/46/45/518964645.db2.gz ULAVZCHLPSVLHI-NORZTCDRSA-N 1 0 324.415 3.686 10 0 DHAERO CC(C)COc1ccc([C@H](C)[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000181403599 519763901 /nfs/dbraw/zinc/76/39/01/519763901.db2.gz IWMYANPOQFIEQK-HNNXBMFYSA-N 1 0 324.428 3.615 10 0 DHAERO CC(C)c1ccc([C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C(C)C)cc1 ZINC000246731266 519840138 /nfs/dbraw/zinc/84/01/38/519840138.db2.gz YIEZQKBDYQHYAC-RCCFBDPRSA-N 1 0 302.462 3.751 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](c1ccccc1)C(C)C)CC2 ZINC000180515166 519897442 /nfs/dbraw/zinc/89/74/42/519897442.db2.gz PXVLQJNDFLWFDY-AEFFLSMTSA-N 1 0 312.461 3.703 10 0 DHAERO CCC[C@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1 ZINC000180527560 521173358 /nfs/dbraw/zinc/17/33/58/521173358.db2.gz BZZMZRFRBJZUEF-SJORKVTESA-N 1 0 312.461 3.847 10 0 DHAERO CCSc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000156340077 521749077 /nfs/dbraw/zinc/74/90/77/521749077.db2.gz NYXWGWOHMWIYNK-ZYHUDNBSSA-N 1 0 312.866 3.908 10 0 DHAERO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183132614 522044514 /nfs/dbraw/zinc/04/45/14/522044514.db2.gz KUMPFJUPIINWPS-XSWJXKHESA-N 1 0 318.461 3.684 10 0 DHAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(SC(C)(C)C)cc2)C1 ZINC000171084070 522054329 /nfs/dbraw/zinc/05/43/29/522054329.db2.gz RIIRXGLQFIIIOM-CQSZACIVSA-N 1 0 321.490 3.745 10 0 DHAERO CCc1nc(C)c([C@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)s1 ZINC000163801096 522233837 /nfs/dbraw/zinc/23/38/37/522233837.db2.gz GDWZCSZWUMTCLM-XJKSGUPXSA-N 1 0 317.502 3.967 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000106212143 522599787 /nfs/dbraw/zinc/59/97/87/522599787.db2.gz BUXPTWCGURBUBR-YOEHRIQHSA-N 1 0 301.409 3.983 10 0 DHAERO CCn1cnnc1C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000186995427 523580343 /nfs/dbraw/zinc/58/03/43/523580343.db2.gz IHAJPXDMJQQZSI-UHFFFAOYSA-N 1 0 312.461 3.500 10 0 DHAERO Cc1cc(C)cc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190485180 524383848 /nfs/dbraw/zinc/38/38/48/524383848.db2.gz LTYIILRMKLTJPC-HXUWFJFHSA-N 1 0 323.484 3.652 10 0 DHAERO C[C@H](NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)s1 ZINC000226797786 525127918 /nfs/dbraw/zinc/12/79/18/525127918.db2.gz XMSDFBIVYFLMDX-ZIBATOQPSA-N 1 0 322.861 3.915 10 0 DHAERO C[C@H]([NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccccn1 ZINC000181804586 525411708 /nfs/dbraw/zinc/41/17/08/525411708.db2.gz BEVHKFNEXZUZQN-SWLSCSKDSA-N 1 0 315.804 3.579 10 0 DHAERO C[C@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1CCOC1 ZINC000119749662 525547526 /nfs/dbraw/zinc/54/75/26/525547526.db2.gz BWLLFWCIGXMZSC-YQQAZPJKSA-N 1 0 301.430 3.838 10 0 DHAERO C[C@@H]([NH2+]Cc1csc(-c2ccccc2F)n1)[C@H]1CCCO1 ZINC000183123559 525556066 /nfs/dbraw/zinc/55/60/66/525556066.db2.gz PEKMJSJBYHLUHS-IAQYHMDHSA-N 1 0 306.406 3.606 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000183346018 525557412 /nfs/dbraw/zinc/55/74/12/525557412.db2.gz UWJDCXVFDLVCFO-MELADBBJSA-N 1 0 304.459 3.947 10 0 DHAERO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000246172322 525865526 /nfs/dbraw/zinc/86/55/26/525865526.db2.gz BHXCQYAZJGHHDY-OWYHZJEWSA-N 1 0 314.473 3.812 10 0 DHAERO C[C@H](CC(=O)N[C@@H](C)c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000237364118 526244053 /nfs/dbraw/zinc/24/40/53/526244053.db2.gz OOLNTPQOLAOQJJ-OLZOCXBDSA-N 1 0 308.853 3.543 10 0 DHAERO Cc1cnn([C@H]2CCC[N@H+](CCOc3ccccc3Cl)C2)c1 ZINC000106224910 526267555 /nfs/dbraw/zinc/26/75/55/526267555.db2.gz HTWFCTFHSLFNQC-HNNXBMFYSA-N 1 0 319.836 3.561 10 0 DHAERO [NH3+]C[C@H]1CCCCN1C(=O)CC1CCC(c2ccccc2)CC1 ZINC000237939105 527230099 /nfs/dbraw/zinc/23/00/99/527230099.db2.gz STCREFLVTBFNGP-NKELODKYSA-N 1 0 314.473 3.690 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cnc(CC(C)C)s1 ZINC000180133868 527450344 /nfs/dbraw/zinc/45/03/44/527450344.db2.gz OUBZGXJNPWCGBG-OAHLLOKOSA-N 1 0 318.490 3.511 10 0 DHAERO FC(F)(F)c1cccc([C@@H]([NH2+]CCC2OCCO2)C2CC2)c1 ZINC000125566504 527686179 /nfs/dbraw/zinc/68/61/79/527686179.db2.gz PLDOLHAASDCTLS-HNNXBMFYSA-N 1 0 315.335 3.509 10 0 DHAERO Cc1cccc(CN(Cc2ccsc2)C[C@H]2CCCO2)n1 ZINC000055368891 563474551 /nfs/dbraw/zinc/47/45/51/563474551.db2.gz BRVKUSBMNGXXHQ-QGZVFWFLSA-N 1 0 302.443 3.633 10 0 DHAERO CCCc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])cc1 ZINC000071790696 563501617 /nfs/dbraw/zinc/50/16/17/563501617.db2.gz ZETHJCQAEHOFJN-IAGOWNOFSA-N 1 0 318.461 3.691 10 0 DHAERO C[C@H]1CC=C(NC(=O)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000095347738 563528988 /nfs/dbraw/zinc/52/89/88/563528988.db2.gz RMTCVLGVWGLHPG-INIZCTEOSA-N 1 0 306.409 3.595 10 0 DHAERO CC(C)(C)OC(=O)N1CCC(C2(C[NH3+])CC3(CCC3)C2)CC1 ZINC000725272915 563579438 /nfs/dbraw/zinc/57/94/38/563579438.db2.gz VOSOKKQUNNANMP-UHFFFAOYSA-N 1 0 308.466 3.543 10 0 DHAERO COCC[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000032204219 563769037 /nfs/dbraw/zinc/76/90/37/563769037.db2.gz AGJHBPUMFSVWAX-UHFFFAOYSA-N 1 0 305.805 3.655 10 0 DHAERO Cc1cccc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1C ZINC000675055447 563909914 /nfs/dbraw/zinc/90/99/14/563909914.db2.gz SJJZXCDPHNEUMN-GDBMZVCRSA-N 1 0 304.434 3.621 10 0 DHAERO Cc1ccc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1C ZINC000675055402 568420039 /nfs/dbraw/zinc/42/00/39/568420039.db2.gz RXLJERHJRMLCCP-HOTGVXAUSA-N 1 0 304.434 3.621 10 0 DHAERO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000092788818 1032509683 /nfs/dbraw/zinc/50/96/83/1032509683.db2.gz KULOOFRIVWVPSM-CQSZACIVSA-N 1 0 318.442 3.540 10 0 DHAERO COc1ccccc1C[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)C(C)C ZINC000090528579 185300657 /nfs/dbraw/zinc/30/06/57/185300657.db2.gz XQIKTSPVQJJECT-RDTXWAMCSA-N 1 0 315.461 3.515 10 0 DHAERO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)[nH]n1 ZINC000090531731 185300976 /nfs/dbraw/zinc/30/09/76/185300976.db2.gz LCELWLMLIASSFC-KBXCAEBGSA-N 1 0 313.445 3.769 10 0 DHAERO CC(C)(F)[C@H](c1cc(F)cc(Br)c1)C1C[NH2+]C1 ZINC000090557814 185303070 /nfs/dbraw/zinc/30/30/70/185303070.db2.gz CTZXGXMZOODCPM-GFCCVEGCSA-N 1 0 304.178 3.639 10 0 DHAERO CCCC[NH+](CCCC)CCNc1nc2ccccc2n1C ZINC000006856608 190625144 /nfs/dbraw/zinc/62/51/44/190625144.db2.gz UGDRZSIDCVYVPT-UHFFFAOYSA-N 1 0 302.466 3.887 10 0 DHAERO Brc1ccc(-c2cnc(C[NH2+]C3CC3)s2)cc1 ZINC000083241303 192366673 /nfs/dbraw/zinc/36/66/73/192366673.db2.gz ITAHHIKGPUVUBR-UHFFFAOYSA-N 1 0 309.232 3.825 10 0 DHAERO Cc1ccc(Cl)c(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1Cl ZINC000070573458 190906429 /nfs/dbraw/zinc/90/64/29/190906429.db2.gz HRKWJUOKQYACRV-VHSXEESVSA-N 1 0 301.217 3.758 10 0 DHAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(-c2ccccc2)cc1 ZINC000150718231 186059389 /nfs/dbraw/zinc/05/93/89/186059389.db2.gz WOJZYRMFYLYNST-HNAYVOBHSA-N 1 0 308.425 3.673 10 0 DHAERO Cc1cccc([C@H](Cn2ccnc2-c2cccc(O)c2)[NH+](C)C)c1 ZINC000072408894 191153638 /nfs/dbraw/zinc/15/36/38/191153638.db2.gz RDIZRHJVFODWDV-IBGZPJMESA-N 1 0 321.424 3.867 10 0 DHAERO Clc1ccc(-c2nc(Cl)cc(N[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000073737657 191349420 /nfs/dbraw/zinc/34/94/20/191349420.db2.gz SKQHXAKWHVZXKR-GFCCVEGCSA-N 1 0 323.227 3.614 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000236898848 202060203 /nfs/dbraw/zinc/06/02/03/202060203.db2.gz QXXBMLITKMNLFF-KBPBESRZSA-N 1 0 316.367 3.646 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000236924214 202074160 /nfs/dbraw/zinc/07/41/60/202074160.db2.gz KJQHQGOSEOQSKO-RBUKOAKNSA-N 1 0 310.441 3.604 10 0 DHAERO CCc1ccc([C@@H]([NH2+][C@@H]2CCCn3nc(C)nc32)C(C)C)cc1 ZINC000091377418 193048957 /nfs/dbraw/zinc/04/89/57/193048957.db2.gz AVZAFGBRIKVYEG-MSOLQXFVSA-N 1 0 312.461 3.971 10 0 DHAERO CC/C(C)=C/CC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000091552015 193072657 /nfs/dbraw/zinc/07/26/57/193072657.db2.gz OZGBDNZMZZXOLL-JDDKIRPDSA-N 1 0 319.518 3.786 10 0 DHAERO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000091691358 193092881 /nfs/dbraw/zinc/09/28/81/193092881.db2.gz ISSWHZVIBCCHQF-MOPGFXCFSA-N 1 0 315.844 3.938 10 0 DHAERO CCC[C@@H](C(=O)N[C@H](C)c1ccc(SCC)cc1)[NH+](C)C ZINC000152337775 334996283 /nfs/dbraw/zinc/99/62/83/334996283.db2.gz FLWKTNOHGMYKMT-CJNGLKHVSA-N 1 0 308.491 3.706 10 0 DHAERO CC(C)(C)OC(=O)N1C[C@H]([C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000261508566 203073497 /nfs/dbraw/zinc/07/34/97/203073497.db2.gz USLPNLMUGNPBHI-DZGCQCFKSA-N 1 0 302.418 3.525 10 0 DHAERO O=C(OCc1ccccc1)N1CCCC[C@@H]1CCC[NH2+]C1CC1 ZINC000095077826 193418219 /nfs/dbraw/zinc/41/82/19/193418219.db2.gz PUVHJHXKDODAJZ-GOSISDBHSA-N 1 0 316.445 3.710 10 0 DHAERO CC(C)[NH2+]CCC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095088513 193420702 /nfs/dbraw/zinc/42/07/02/193420702.db2.gz DVKUSIYEYULBHI-QGZVFWFLSA-N 1 0 318.461 3.813 10 0 DHAERO [NH3+][C@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1 ZINC000011828214 181709656 /nfs/dbraw/zinc/70/96/56/181709656.db2.gz RYAWGSIRNUFAKL-HNNXBMFYSA-N 1 0 301.187 3.979 10 0 DHAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000011960606 181720997 /nfs/dbraw/zinc/72/09/97/181720997.db2.gz XDUXDQOOWKLEBL-CPCISQLKSA-N 1 0 308.731 3.671 10 0 DHAERO CCOc1ccc(Br)cc1C[NH2+]CCC(C)C ZINC000013724313 181883950 /nfs/dbraw/zinc/88/39/50/181883950.db2.gz GBCLNFYGLZSGCU-UHFFFAOYSA-N 1 0 300.240 3.984 10 0 DHAERO CC(C)(C)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000016473518 182045902 /nfs/dbraw/zinc/04/59/02/182045902.db2.gz ZZHCYNFEQZQZID-UHFFFAOYSA-N 1 0 309.624 3.973 10 0 DHAERO CN(Cc1ccccc1)[C@H](C[NH3+])c1ccccc1Br ZINC000019436331 182123188 /nfs/dbraw/zinc/12/31/88/182123188.db2.gz OFOOMHSAARBVLW-MRXNPFEDSA-N 1 0 319.246 3.581 10 0 DHAERO CCCCN(CC)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000019396233 182120703 /nfs/dbraw/zinc/12/07/03/182120703.db2.gz XBYWZZFQOIUBGA-JTQLQIEISA-N 1 0 305.285 3.632 10 0 DHAERO CCCCN(CC)[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000019423847 182122697 /nfs/dbraw/zinc/12/26/97/182122697.db2.gz VQCQMRNXDMCHTE-AWEZNQCLSA-N 1 0 317.246 3.710 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2ccccc2Br)cc1OC ZINC000019414573 182122770 /nfs/dbraw/zinc/12/27/70/182122770.db2.gz XLHYSQDGSBUWKE-OAHLLOKOSA-N 1 0 322.202 3.514 10 0 DHAERO [NH3+]C[C@@H](Oc1ccc(Br)cc1)c1ccccc1F ZINC000019671687 182134982 /nfs/dbraw/zinc/13/49/82/182134982.db2.gz GGAMUMCYKHCGEZ-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO CC[C@@H]([NH2+]CCN(CC)CC)c1ccc(Br)cc1 ZINC000019919504 182164398 /nfs/dbraw/zinc/16/43/98/182164398.db2.gz VYLJKPSQQDYRHO-OAHLLOKOSA-N 1 0 313.283 3.832 10 0 DHAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])[C@@H]1C[C@@H]1C ZINC000019967846 182171304 /nfs/dbraw/zinc/17/13/04/182171304.db2.gz PWIZOYPNVOURNW-QXHCQDJKSA-N 1 0 304.615 3.767 10 0 DHAERO [NH3+][C@@H](c1ccc(F)cc1F)c1cc(Br)ccc1F ZINC000019969029 182171805 /nfs/dbraw/zinc/17/18/05/182171805.db2.gz STFCBRZAWLSZGU-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO COc1ccc([C@H]([NH3+])c2ccc(Br)cc2)c(C)c1 ZINC000019972068 182172016 /nfs/dbraw/zinc/17/20/16/182172016.db2.gz WNYVILGKWAIKNE-OAHLLOKOSA-N 1 0 306.203 3.814 10 0 DHAERO COc1ccc([C@H]([NH3+])c2ccccc2Br)c(C)c1 ZINC000019972054 182172453 /nfs/dbraw/zinc/17/24/53/182172453.db2.gz XRCYKVRYRCHATO-HNNXBMFYSA-N 1 0 306.203 3.814 10 0 DHAERO CC(C)[C@@H](CN[C@H](C)c1ccccc1Br)[NH+](C)C ZINC000020145653 182191990 /nfs/dbraw/zinc/19/19/90/182191990.db2.gz GIOTWZRMDHGGQK-IUODEOHRSA-N 1 0 313.283 3.686 10 0 DHAERO C[N@H+]([C@@H](CN)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000020081710 182185111 /nfs/dbraw/zinc/18/51/11/182185111.db2.gz KFLFKWVVXNXUOQ-HNNXBMFYSA-N 1 0 300.368 3.970 10 0 DHAERO C[N@H+]([C@@H](CN)c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000020081706 182185212 /nfs/dbraw/zinc/18/52/12/182185212.db2.gz QSLRZVKRLJJYQH-HNNXBMFYSA-N 1 0 300.368 3.970 10 0 DHAERO COc1ccc(Br)cc1[C@@H]([NH3+])Cc1ccc(F)cc1 ZINC000020586783 182235580 /nfs/dbraw/zinc/23/55/80/182235580.db2.gz ZMWIQHUPPOOTPY-AWEZNQCLSA-N 1 0 324.193 3.839 10 0 DHAERO CCC(C)(C)[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020934005 182255027 /nfs/dbraw/zinc/25/50/27/182255027.db2.gz USHOKDCAXGTKDP-UHFFFAOYSA-N 1 0 316.239 3.745 10 0 DHAERO CCCOc1c(Cl)cc(CNCCC[NH+](C)C)cc1Cl ZINC000020967515 182256688 /nfs/dbraw/zinc/25/66/88/182256688.db2.gz VWHBLYZKMXQHFI-UHFFFAOYSA-N 1 0 319.276 3.824 10 0 DHAERO Fc1ccc([C@H](CCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000022864177 182338255 /nfs/dbraw/zinc/33/82/55/182338255.db2.gz IVBRMABBDOJLRU-HXUWFJFHSA-N 1 0 312.432 3.643 10 0 DHAERO Cc1ccc(C[C@H]([NH3+])Cc2ccc(Br)cc2)cc1 ZINC000037533791 182904845 /nfs/dbraw/zinc/90/48/45/182904845.db2.gz GEWIXGWHPBJYMU-INIZCTEOSA-N 1 0 304.231 3.870 10 0 DHAERO CC(C)C[NH2+]Cc1ccc(OC(C)C)c(Br)c1 ZINC000040730893 183126273 /nfs/dbraw/zinc/12/62/73/183126273.db2.gz BMJDTAXRZNCHDV-UHFFFAOYSA-N 1 0 300.240 3.982 10 0 DHAERO OCCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000040744867 183128376 /nfs/dbraw/zinc/12/83/76/183128376.db2.gz GEBXJGSXOKZSRR-UHFFFAOYSA-N 1 0 321.420 3.891 10 0 DHAERO [NH3+]C[C@@H](Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000041541281 183200781 /nfs/dbraw/zinc/20/07/81/183200781.db2.gz PBNNFMAMUMDDKB-CYBMUJFWSA-N 1 0 308.194 3.873 10 0 DHAERO CC(C)(C)[NH2+]CCCOc1ccc(F)cc1Br ZINC000042407251 183265019 /nfs/dbraw/zinc/26/50/19/183265019.db2.gz KFXOOQWUPGNZAG-UHFFFAOYSA-N 1 0 304.203 3.745 10 0 DHAERO CC(C)[N@H+](CC1CC1)[C@H](CN)c1cccc(Br)c1 ZINC000042580337 183287173 /nfs/dbraw/zinc/28/71/73/183287173.db2.gz ZUUABJADFDQRNU-OAHLLOKOSA-N 1 0 311.267 3.569 10 0 DHAERO C[C@@H](CN1CCCC1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000042597301 183289451 /nfs/dbraw/zinc/28/94/51/183289451.db2.gz VNMNZPXISAUVLZ-STQMWFEESA-N 1 0 311.267 3.584 10 0 DHAERO C[C@@H](N(C)[C@@H](C[NH3+])c1cc(Br)cs1)C(C)(C)C ZINC000042742043 183304738 /nfs/dbraw/zinc/30/47/38/183304738.db2.gz RIVCVJGHXWZIQJ-KOLCDFICSA-N 1 0 319.312 3.877 10 0 DHAERO CCCCCN(C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952960 183321599 /nfs/dbraw/zinc/32/15/99/183321599.db2.gz HKJRCEKGSWNLEL-IUODEOHRSA-N 1 0 313.283 3.959 10 0 DHAERO C[C@H](N)[C@@H](c1ccc(Br)cc1)[N@H+](C)C1CCCC1 ZINC000042952830 183322200 /nfs/dbraw/zinc/32/22/00/183322200.db2.gz SFPGQYXLNNGVGD-NHYWBVRUSA-N 1 0 311.267 3.712 10 0 DHAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1)c1ccc(Br)cc1 ZINC000042956841 183322710 /nfs/dbraw/zinc/32/27/10/183322710.db2.gz ILVZYMRMQCINBL-IAQYHMDHSA-N 1 0 306.203 3.916 10 0 DHAERO C[C@@H]([NH3+])[C@@H](OCc1ccco1)c1ccc(Br)cc1 ZINC000042956363 183323117 /nfs/dbraw/zinc/32/31/17/183323117.db2.gz SPXOTBHABDEYJJ-QMTHXVAHSA-N 1 0 310.191 3.647 10 0 DHAERO CCc1nccn1[C@@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042956215 183323156 /nfs/dbraw/zinc/32/31/56/183323156.db2.gz UYPQIOQJBIPEDV-HIFRSBDPSA-N 1 0 322.250 3.535 10 0 DHAERO [NH3+]C[C@H](Sc1ccccn1)c1ccc(Br)cc1 ZINC000042958924 183323515 /nfs/dbraw/zinc/32/35/15/183323515.db2.gz IYONLVROHSLJDB-LBPRGKRZSA-N 1 0 309.232 3.636 10 0 DHAERO CCC[N@H+](C(C)C)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020355 183328784 /nfs/dbraw/zinc/32/87/84/183328784.db2.gz JIOCXQAEGUULMP-DOMZBBRYSA-N 1 0 313.283 3.958 10 0 DHAERO CC(C)c1nccn1[C@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043022141 183329579 /nfs/dbraw/zinc/32/95/79/183329579.db2.gz ZTPULVKIBRDLHO-FZMZJTMJSA-N 1 0 322.250 3.706 10 0 DHAERO CC[C@H]([NH3+])[C@H](OCC(C)C)c1cccc(Br)c1 ZINC000043022898 183330960 /nfs/dbraw/zinc/33/09/60/183330960.db2.gz UBTGIVWXNYNFDX-UONOGXRCSA-N 1 0 300.240 3.900 10 0 DHAERO [NH3+]C[C@H](OCc1ccccc1)c1ccccc1Br ZINC000043093963 183336632 /nfs/dbraw/zinc/33/66/32/183336632.db2.gz RIWKXWSLORYPPG-HNNXBMFYSA-N 1 0 306.203 3.666 10 0 DHAERO CCc1nccn1[C@@H](c1ccccc1Br)[C@@H]([NH3+])CC ZINC000043093919 183336770 /nfs/dbraw/zinc/33/67/70/183336770.db2.gz FYLRLYZGQGXLEU-ZFWWWQNUSA-N 1 0 322.250 3.535 10 0 DHAERO CC(C)C[C@@H](C)O[C@@H](C[NH3+])c1ccccc1Br ZINC000043094791 183337691 /nfs/dbraw/zinc/33/76/91/183337691.db2.gz SIIHMPRURMRVTG-RISCZKNCSA-N 1 0 300.240 3.900 10 0 DHAERO [NH3+]C[C@@H](Sc1ccc(C(F)(F)F)cn1)c1cccs1 ZINC000043112934 183338822 /nfs/dbraw/zinc/33/88/22/183338822.db2.gz FMLWTGMRDVGDNZ-SNVBAGLBSA-N 1 0 304.362 3.954 10 0 DHAERO CC[C@@H]1CCCN1[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043092395 183335518 /nfs/dbraw/zinc/33/55/18/183335518.db2.gz COKDHDJZJMQPAP-LALPHHSUSA-N 1 0 311.267 3.712 10 0 DHAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N(CC)C(C)C ZINC000043091248 183335619 /nfs/dbraw/zinc/33/56/19/183335619.db2.gz OJBLXDJGKMQGHJ-CABCVRRESA-N 1 0 313.283 3.958 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CC1CC1 ZINC000043092419 183335866 /nfs/dbraw/zinc/33/58/66/183335866.db2.gz VHXOUCZLRBVCDU-HUUCEWRRSA-N 1 0 311.267 3.569 10 0 DHAERO Cc1ccccc1O[C@@H](C[NH3+])c1ccccc1Br ZINC000043094301 183336540 /nfs/dbraw/zinc/33/65/40/183336540.db2.gz IYRPYFKQRNSJOM-HNNXBMFYSA-N 1 0 306.203 3.836 10 0 DHAERO CCC[NH2+][C@H](C)CCc1ccc(OC)c(Br)c1 ZINC000044389988 183407413 /nfs/dbraw/zinc/40/74/13/183407413.db2.gz OZUZBVJHLZIUCN-LLVKDONJSA-N 1 0 300.240 3.778 10 0 DHAERO C[C@H](c1c(F)cccc1F)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106186069 194189999 /nfs/dbraw/zinc/18/99/99/194189999.db2.gz QWVMFAFGCYOKNI-CYBMUJFWSA-N 1 0 305.372 3.635 10 0 DHAERO CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000106217800 194191284 /nfs/dbraw/zinc/19/12/84/194191284.db2.gz MAZYLVOQYDBGGN-JKSUJKDBSA-N 1 0 304.825 3.720 10 0 DHAERO CCC[NH2+]C[C@@H](OCCC)c1ccccc1Br ZINC000050482901 183788130 /nfs/dbraw/zinc/78/81/30/183788130.db2.gz JCTFWONFFYUMKA-CQSZACIVSA-N 1 0 300.240 3.916 10 0 DHAERO CC[C@@H]([NH3+])[C@H](OC1CCC1)c1cc(Br)cs1 ZINC000050519324 183788491 /nfs/dbraw/zinc/78/84/91/183788491.db2.gz UDGAGODESUSVBA-PWSUYJOCSA-N 1 0 304.253 3.858 10 0 DHAERO CCC[NH2+][C@H](CCc1ccc(F)c(Br)c1)COC ZINC000051696252 183834423 /nfs/dbraw/zinc/83/44/23/183834423.db2.gz BJTUVWWFLSCCPE-GFCCVEGCSA-N 1 0 318.230 3.535 10 0 DHAERO CC(C)C[NH2+]C[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000053011136 183883564 /nfs/dbraw/zinc/88/35/64/183883564.db2.gz PRMINMBFMSDHTL-CYBMUJFWSA-N 1 0 300.368 3.777 10 0 DHAERO Cc1ccccc1N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000057634091 184042861 /nfs/dbraw/zinc/04/28/61/184042861.db2.gz HLRQVXDQYRKHDQ-OAHLLOKOSA-N 1 0 305.219 3.869 10 0 DHAERO Cc1cccc([C@H](C[NH3+])Nc2ccc(Br)cc2)c1 ZINC000057634070 184043044 /nfs/dbraw/zinc/04/30/44/184043044.db2.gz HXIGKMBQYQQLOA-HNNXBMFYSA-N 1 0 305.219 3.869 10 0 DHAERO Oc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1Br ZINC000057901594 184061468 /nfs/dbraw/zinc/06/14/68/184061468.db2.gz DCGOYHSLHNDKNP-UHFFFAOYSA-N 1 0 324.193 3.626 10 0 DHAERO CO[C@@H]1CC(=C(c2cccs2)c2cccs2)C[N@@H+](C)C1 ZINC000059555681 184139577 /nfs/dbraw/zinc/13/95/77/184139577.db2.gz CDLDDIHSXRLVEM-CYBMUJFWSA-N 1 0 305.468 3.962 10 0 DHAERO Cc1cccc(C[C@H]([NH3+])Cc2ccc(Br)s2)c1 ZINC000060700236 184154645 /nfs/dbraw/zinc/15/46/45/184154645.db2.gz IFXVQMSAGPCMAO-LBPRGKRZSA-N 1 0 310.260 3.932 10 0 DHAERO [NH3+]Cc1ncccc1CSc1cccc(Br)c1 ZINC000061658149 184181089 /nfs/dbraw/zinc/18/10/89/184181089.db2.gz LOYYICFWVDMBPF-UHFFFAOYSA-N 1 0 309.232 3.595 10 0 DHAERO C[NH2+][C@H](C)[C@H](Cc1ccc(OC)c(Br)c1)C(C)C ZINC000061686809 184182940 /nfs/dbraw/zinc/18/29/40/184182940.db2.gz NGAQWCOFYHUAAU-DGCLKSJQSA-N 1 0 314.267 3.880 10 0 DHAERO C[N@H+](CCNCc1c(Cl)ccc(Cl)c1Cl)C1CC1 ZINC000061994471 184200322 /nfs/dbraw/zinc/20/03/22/184200322.db2.gz PGCDPPGVCOUPHP-UHFFFAOYSA-N 1 0 307.652 3.831 10 0 DHAERO CC[NH2+][C@@H](C)c1nc2cc(Br)ccc2n1C1CC1 ZINC000062366527 184233169 /nfs/dbraw/zinc/23/31/69/184233169.db2.gz DRFQVGFAJKLUIY-VIFPVBQESA-N 1 0 308.223 3.804 10 0 DHAERO CC[C@H](C)COc1ccc(C[C@@H](C)[NH3+])cc1Br ZINC000062704002 184248748 /nfs/dbraw/zinc/24/87/48/184248748.db2.gz URXFCERPKBQJAF-WDEREUQCSA-N 1 0 300.240 3.764 10 0 DHAERO CC(C)C[C@H]1CN(CC(F)(F)F)[C@H](c2ccccc2)C[NH2+]1 ZINC000062713056 184249269 /nfs/dbraw/zinc/24/92/69/184249269.db2.gz XHCVMBJSRKOVKV-GJZGRUSLSA-N 1 0 300.368 3.610 10 0 DHAERO CC(C)C[NH2+]Cc1cccc(Br)c1OCC1CC1 ZINC000062733632 184251210 /nfs/dbraw/zinc/25/12/10/184251210.db2.gz JXWBSTAHTFVCKX-UHFFFAOYSA-N 1 0 312.251 3.984 10 0 DHAERO C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N1CCCC1(C)C ZINC000063065909 184269177 /nfs/dbraw/zinc/26/91/77/184269177.db2.gz PBSVBVLICXSDGI-JOYOIKCWSA-N 1 0 317.296 3.773 10 0 DHAERO Cn1cc([C@H]2CCC[N@@H+]2[C@@H]2CCc3c2cccc3Cl)cn1 ZINC000152403441 335057493 /nfs/dbraw/zinc/05/74/93/335057493.db2.gz JCWZMUUPISLIQQ-IAGOWNOFSA-N 1 0 301.821 3.898 10 0 DHAERO Cc1nc([C@@H]2C[C@@H]3CCN(Cc4ccoc4)C[C@@H]3O2)sc1C ZINC000503719037 257208426 /nfs/dbraw/zinc/20/84/26/257208426.db2.gz KRWNDGNDVJNABQ-JYJNAYRXSA-N 1 0 318.442 3.705 10 0 DHAERO C[NH+](C)[C@@H]1c2ccccc2[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 ZINC000503716543 257209731 /nfs/dbraw/zinc/20/97/31/257209731.db2.gz GVWQHTDXXGHFEL-HSALFYBXSA-N 1 0 310.416 3.658 10 0 DHAERO C[C@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1cnn(C)c1 ZINC000163940938 132127762 /nfs/dbraw/zinc/12/77/62/132127762.db2.gz DGCUTMKNMFUQBG-WMLDXEAASA-N 1 0 311.429 3.907 10 0 DHAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000186097436 332914642 /nfs/dbraw/zinc/91/46/42/332914642.db2.gz DJEWFADWILOJTH-DLIFSPCPSA-N 1 0 314.477 3.616 10 0 DHAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccnc1Cl ZINC000028878703 331609120 /nfs/dbraw/zinc/60/91/20/331609120.db2.gz ZPMGXVVFQLQHBF-STQMWFEESA-N 1 0 317.820 3.721 10 0 DHAERO CC(C)Cc1ccc([C@@H](C)NC(=O)CCCCCC[NH3+])cc1 ZINC000261733475 331889315 /nfs/dbraw/zinc/88/93/15/331889315.db2.gz RKQLNBZDFQEEHK-MRXNPFEDSA-N 1 0 304.478 3.972 10 0 DHAERO Cc1ccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000130034148 332022118 /nfs/dbraw/zinc/02/21/18/332022118.db2.gz BWJQAVBPHOLGEC-LRDDRELGSA-N 1 0 302.805 3.923 10 0 DHAERO Cc1ccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000130034372 332022239 /nfs/dbraw/zinc/02/22/39/332022239.db2.gz BWJQAVBPHOLGEC-WBMJQRKESA-N 1 0 302.805 3.923 10 0 DHAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](c1ccccc1)c1ccccn1 ZINC000181002306 332172871 /nfs/dbraw/zinc/17/28/71/332172871.db2.gz KULAXVSIOUHAKM-TZIWHRDSSA-N 1 0 323.484 3.881 10 0 DHAERO C[C@@H]([NH2+]CCn1ccnc1)c1c(Cl)ccc(F)c1Cl ZINC000041119100 332214416 /nfs/dbraw/zinc/21/44/16/332214416.db2.gz LVTLOMIGJWHOMS-SECBINFHSA-N 1 0 302.180 3.680 10 0 DHAERO C[C@@H]([NH2+]CC(=O)NC1CCCCCC1)c1ccc(Cl)s1 ZINC000053341240 332233513 /nfs/dbraw/zinc/23/35/13/332233513.db2.gz HMMCLYMXYDPHIF-LLVKDONJSA-N 1 0 314.882 3.891 10 0 DHAERO [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2F)C[C@H]1c1ccccc1 ZINC000261602496 332281723 /nfs/dbraw/zinc/28/17/23/332281723.db2.gz AKQWLEDYDDFNOW-WBVHZDCISA-N 1 0 318.823 3.653 10 0 DHAERO CC1(C)CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC[C@@H]1[NH3+] ZINC000261853124 332556911 /nfs/dbraw/zinc/55/69/11/332556911.db2.gz JRMPAGRDKSECSU-JJYOYSIOSA-N 1 0 318.505 3.569 10 0 DHAERO Clc1ccc2c(c1)nccc2N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261865415 332612703 /nfs/dbraw/zinc/61/27/03/332612703.db2.gz GJVVRYHIOCRTNI-INIZCTEOSA-N 1 0 315.848 3.857 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(Br)cc1 ZINC000177358984 332984864 /nfs/dbraw/zinc/98/48/64/332984864.db2.gz KPZQOPABOIJJPW-NJZAAPMLSA-N 1 0 312.251 3.651 10 0 DHAERO CCC[C@H](CC1CCCCC1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185141796 335116017 /nfs/dbraw/zinc/11/60/17/335116017.db2.gz REBMMCIPVAQOJK-XDNAFOTISA-N 1 0 306.494 3.569 10 0 DHAERO Cc1ccccc1[C@H]([NH2+]CCC(=O)NC(C)C)c1ccccc1 ZINC000180073874 333026716 /nfs/dbraw/zinc/02/67/16/333026716.db2.gz QKSOLUPBIWFIEU-HXUWFJFHSA-N 1 0 310.441 3.589 10 0 DHAERO C[N@H+](CCCCCc1cc(-c2ccccc2)no1)CC(C)(C)O ZINC000111214508 334307074 /nfs/dbraw/zinc/30/70/74/334307074.db2.gz VQNUXOIHWCRYHR-UHFFFAOYSA-N 1 0 316.445 3.757 10 0 DHAERO C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(Cl)s1 ZINC000049129560 334315249 /nfs/dbraw/zinc/31/52/49/334315249.db2.gz QMJPECOSYYMRJR-SECBINFHSA-N 1 0 312.797 3.830 10 0 DHAERO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000111891418 334360408 /nfs/dbraw/zinc/36/04/08/334360408.db2.gz XXNMUKWJOSISOU-UHFFFAOYSA-N 1 0 321.207 3.891 10 0 DHAERO CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C)c1 ZINC000123890981 334739238 /nfs/dbraw/zinc/73/92/38/334739238.db2.gz KGAPVGUQDPLMCD-RTBURBONSA-N 1 0 308.425 3.847 10 0 DHAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1ccc(Cl)cc1)CC2 ZINC000113442364 335425574 /nfs/dbraw/zinc/42/55/74/335425574.db2.gz NSFUZJSQLORTMR-GJZGRUSLSA-N 1 0 318.852 3.550 10 0 DHAERO C[NH+](C)C[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000052567354 335796028 /nfs/dbraw/zinc/79/60/28/335796028.db2.gz JBKAZRSAMKNQNK-INIZCTEOSA-N 1 0 320.795 3.512 10 0 DHAERO C[NH+](C)C[C@@H](NC(=O)CCC1CCCCC1)c1ccccc1 ZINC000096965398 335834157 /nfs/dbraw/zinc/83/41/57/335834157.db2.gz VNVFDBPBOQBOHX-GOSISDBHSA-N 1 0 302.462 3.766 10 0 DHAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000102687096 335929965 /nfs/dbraw/zinc/92/99/65/335929965.db2.gz PMQZEQMDTSBXGZ-JTQLQIEISA-N 1 0 317.260 3.949 10 0 DHAERO COC(=O)C1CCC([NH2+][C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000192446066 336032939 /nfs/dbraw/zinc/03/29/39/336032939.db2.gz CVGXRCSITFCKDO-RMYJWEKJSA-N 1 0 301.430 3.946 10 0 DHAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000042267482 336238159 /nfs/dbraw/zinc/23/81/59/336238159.db2.gz ABPCTTLPLTVEJN-ZDUSSCGKSA-N 1 0 302.805 3.938 10 0 DHAERO CCS[C@@H]1CC[C@]1(O)CNc1cc(C)[nH+]c2ccccc12 ZINC000301484287 336309732 /nfs/dbraw/zinc/30/97/32/336309732.db2.gz GOZYWJNAMUCDOQ-SJORKVTESA-N 1 0 302.443 3.602 10 0 DHAERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000105437384 336387524 /nfs/dbraw/zinc/38/75/24/336387524.db2.gz MJFKRQLUGDJMCX-LRDDRELGSA-N 1 0 302.805 3.812 10 0 DHAERO [NH3+]CCN(Cc1csc(-c2ccccc2)n1)Cc1ccccc1 ZINC000303619205 336965991 /nfs/dbraw/zinc/96/59/91/336965991.db2.gz AAJSGCYCWRDEAT-UHFFFAOYSA-N 1 0 323.465 3.771 10 0 DHAERO [NH3+]CCCN(Cc1ccccc1)C(=O)c1csc2ccccc12 ZINC000303989224 336981177 /nfs/dbraw/zinc/98/11/77/336981177.db2.gz QSDCJIKAWVZQRF-UHFFFAOYSA-N 1 0 324.449 3.893 10 0 DHAERO CCOc1cccc(C[N@@H+]2CCC[C@@H](n3ccnc3CC)C2)c1 ZINC000122831295 337026754 /nfs/dbraw/zinc/02/67/54/337026754.db2.gz ALYHGAPQXQYDOL-QGZVFWFLSA-N 1 0 313.445 3.681 10 0 DHAERO CCOc1cccc(C[N@@H+]2CCC[C@H](n3ccnc3CC)C2)c1 ZINC000122831553 337026763 /nfs/dbraw/zinc/02/67/63/337026763.db2.gz ALYHGAPQXQYDOL-KRWDZBQOSA-N 1 0 313.445 3.681 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000122903209 337030206 /nfs/dbraw/zinc/03/02/06/337030206.db2.gz IAVUTPGLOAFLKQ-ZMSDIMECSA-N 1 0 313.445 3.999 10 0 DHAERO C[C@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)CCS1 ZINC000171687039 337088662 /nfs/dbraw/zinc/08/86/62/337088662.db2.gz DNRHZSXXZFUOPG-AWEZNQCLSA-N 1 0 300.427 3.811 10 0 DHAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccn(C(C)C)n2)C12CCCC2 ZINC000172670159 337129436 /nfs/dbraw/zinc/12/94/36/337129436.db2.gz PSRAURWHLXTGIS-SJORKVTESA-N 1 0 305.466 3.634 10 0 DHAERO Cc1csc([C@@H]2CCC[N@@H+](Cc3ccccc3N(C)C)C2)n1 ZINC000173602598 337136718 /nfs/dbraw/zinc/13/67/18/337136718.db2.gz ZFLNSMGQPLSCHU-MRXNPFEDSA-N 1 0 315.486 3.897 10 0 DHAERO CCc1cccc(CC)c1NC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000176264224 337151673 /nfs/dbraw/zinc/15/16/73/337151673.db2.gz CFHOUOAVWSWRTH-QGZVFWFLSA-N 1 0 317.477 3.759 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(SC(C)C)cc1 ZINC000177028593 337152853 /nfs/dbraw/zinc/15/28/53/337152853.db2.gz RNFFONCOMKJLQA-MRXNPFEDSA-N 1 0 320.502 3.743 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000178321765 337163807 /nfs/dbraw/zinc/16/38/07/337163807.db2.gz XJUFGYHMZTURJP-MRXNPFEDSA-N 1 0 323.362 3.875 10 0 DHAERO CCn1cc([C@@H](C)N[C@H](c2ccccc2)c2cccnc2)cn1 ZINC000178610980 337165409 /nfs/dbraw/zinc/16/54/09/337165409.db2.gz YFLSHHDMLCURCI-DNVCBOLYSA-N 1 0 306.413 3.738 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@H+](CC(C)(C)c3ccccc3)C2)no1 ZINC000179999686 337173168 /nfs/dbraw/zinc/17/31/68/337173168.db2.gz YRQRFVORYHIRAJ-INIZCTEOSA-N 1 0 313.445 3.610 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)C1CCCCC1 ZINC000180506262 337176100 /nfs/dbraw/zinc/17/61/00/337176100.db2.gz BUNLLDLNMKQVDL-HOTGVXAUSA-N 1 0 304.482 3.665 10 0 DHAERO CC(C)C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1 ZINC000180597139 337176542 /nfs/dbraw/zinc/17/65/42/337176542.db2.gz OCJNZJKNMJJZOE-HOTGVXAUSA-N 1 0 318.852 3.623 10 0 DHAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c1C ZINC000180653140 337176873 /nfs/dbraw/zinc/17/68/73/337176873.db2.gz SCHXITCRILUXRI-JKSUJKDBSA-N 1 0 312.461 3.684 10 0 DHAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182062244 337186105 /nfs/dbraw/zinc/18/61/05/337186105.db2.gz LKXMXVYCMRKCAP-FZKQIMNGSA-N 1 0 315.388 3.966 10 0 DHAERO CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)c2cccs2)C12CCOCC2 ZINC000186338492 337256697 /nfs/dbraw/zinc/25/66/97/337256697.db2.gz RMEUGQDVJVEQNH-CABCVRRESA-N 1 0 323.502 3.590 10 0 DHAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000186790280 337259559 /nfs/dbraw/zinc/25/95/59/337259559.db2.gz GPSFKUSJXAZDTB-BRWVUGGUSA-N 1 0 301.430 3.716 10 0 DHAERO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccco1)c1ccc(F)cc1Cl ZINC000187047522 337261318 /nfs/dbraw/zinc/26/13/18/337261318.db2.gz DJVXXPNHQLBAIT-CABCVRRESA-N 1 0 309.768 3.943 10 0 DHAERO Cc1ccc2cc(C[NH+]3CCC(c4cc[nH]n4)CC3)ccc2n1 ZINC000187119174 337262788 /nfs/dbraw/zinc/26/27/88/337262788.db2.gz HLQFVIGEMBKSSQ-UHFFFAOYSA-N 1 0 306.413 3.646 10 0 DHAERO CCOC(=O)C[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1 ZINC000584596108 337374102 /nfs/dbraw/zinc/37/41/02/337374102.db2.gz ZMGYJDQIBLAWDA-IBGZPJMESA-N 1 0 311.425 3.731 10 0 DHAERO CC[C@@H](CCOC)c1cc2c(cc1[C@@H](C)[NH3+])NC(=O)CC2(C)C ZINC000584654413 337377745 /nfs/dbraw/zinc/37/77/45/337377745.db2.gz NBSAWNYYERHPSM-OLZOCXBDSA-N 1 0 318.461 3.856 10 0 DHAERO CCc1nccn1[C@@H]1CCCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC000109676227 337388488 /nfs/dbraw/zinc/38/84/88/337388488.db2.gz BGKCLWINLQQPMU-JKSUJKDBSA-N 1 0 305.466 3.681 10 0 DHAERO CCc1nccn1[C@H]1CCCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC000109676225 337388528 /nfs/dbraw/zinc/38/85/28/337388528.db2.gz BGKCLWINLQQPMU-CVEARBPZSA-N 1 0 305.466 3.681 10 0 DHAERO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503971 337467487 /nfs/dbraw/zinc/46/74/87/337467487.db2.gz VDMQYCVPKQKVRI-LBPRGKRZSA-N 1 0 305.372 3.639 10 0 DHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)[C@H](C)C2 ZINC000245715363 337489972 /nfs/dbraw/zinc/48/99/72/337489972.db2.gz NZCLWDPCLWZZQJ-CDHQVMDDSA-N 1 0 322.452 3.647 10 0 DHAERO CC(C)N(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1)C(C)C ZINC000072878328 337548771 /nfs/dbraw/zinc/54/87/71/337548771.db2.gz VPNMWEPJGDUHQS-QWHCGFSZSA-N 1 0 312.404 3.649 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cccs2)C12CCOCC2 ZINC000248924675 337568579 /nfs/dbraw/zinc/56/85/79/337568579.db2.gz FPHHYSULASSQEF-CWRNSKLLSA-N 1 0 309.475 3.763 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2)C12CCOCC2 ZINC000248980320 337569099 /nfs/dbraw/zinc/56/90/99/337569099.db2.gz IQXFCBFPIWGEDV-KBAYOESNSA-N 1 0 303.446 3.620 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](C)c2ccccc2)C12CCOCC2 ZINC000248982724 337569102 /nfs/dbraw/zinc/56/91/02/337569102.db2.gz JFMFFAKNKQTFQI-PBWTXFEYSA-N 1 0 317.473 3.742 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C12CCOCC2 ZINC000249010335 337569280 /nfs/dbraw/zinc/56/92/80/337569280.db2.gz OOBKLJYGFNMJCF-OKZBNKHCSA-N 1 0 321.436 3.841 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c(F)c2)C12CCOCC2 ZINC000249025610 337569290 /nfs/dbraw/zinc/56/92/90/337569290.db2.gz RNDOPZVTHFQKLJ-FHLIZLRMSA-N 1 0 321.436 3.759 10 0 DHAERO CCCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H](CC)c1ccccc1 ZINC000261625794 337606693 /nfs/dbraw/zinc/60/66/93/337606693.db2.gz BFJCLHHUIWSPMR-KURKYZTESA-N 1 0 302.462 3.751 10 0 DHAERO CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261616334 337607919 /nfs/dbraw/zinc/60/79/19/337607919.db2.gz AEYVRNSVYHTRHP-YSVLISHTSA-N 1 0 320.502 3.739 10 0 DHAERO CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261693388 337608752 /nfs/dbraw/zinc/60/87/52/337608752.db2.gz HVVDRORAHWHQLA-RTBURBONSA-N 1 0 310.441 3.563 10 0 DHAERO C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000261854104 337612574 /nfs/dbraw/zinc/61/25/74/337612574.db2.gz NOSBXAKFGRUTPL-MNOVXSKESA-N 1 0 315.244 3.560 10 0 DHAERO Cc1ccccc1[C@H]1C[C@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261992835 337613788 /nfs/dbraw/zinc/61/37/88/337613788.db2.gz KKUMNNRCXPQSHY-IAGOWNOFSA-N 1 0 305.381 3.775 10 0 DHAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2ccccc2C)o1 ZINC000122981526 337937512 /nfs/dbraw/zinc/93/75/12/337937512.db2.gz WZTKIAOMDCXRRI-UKRRQHHQSA-N 1 0 300.402 3.964 10 0 DHAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000379744542 338715681 /nfs/dbraw/zinc/71/56/81/338715681.db2.gz QNYHXUFRHRQTTG-PKOBYXMFSA-N 1 0 324.468 3.929 10 0 DHAERO O=C1O[C@@H](C2CC[NH2+]CC2)c2ccccc2N1Cc1ccccc1 ZINC000504041838 340139967 /nfs/dbraw/zinc/13/99/67/340139967.db2.gz ACNHKCJFVBGQOY-IBGZPJMESA-N 1 0 322.408 3.884 10 0 DHAERO CCC(CC)(CC)[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000086642582 340275984 /nfs/dbraw/zinc/27/59/84/340275984.db2.gz JWNHMYRCHSBAKX-MRXNPFEDSA-N 1 0 313.869 3.776 10 0 DHAERO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000173387860 340363899 /nfs/dbraw/zinc/36/38/99/340363899.db2.gz QVWWSIXJBVJITD-WWGRRREGSA-N 1 0 323.868 3.525 10 0 DHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1Br ZINC000309848443 340433852 /nfs/dbraw/zinc/43/38/52/340433852.db2.gz HUOISVLFKMSYSO-TVYUQYBPSA-N 1 0 300.265 3.994 10 0 DHAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1Br ZINC000309848444 340433861 /nfs/dbraw/zinc/43/38/61/340433861.db2.gz HUOISVLFKMSYSO-ZWKOPEQDSA-N 1 0 300.265 3.994 10 0 DHAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc(Br)c1 ZINC000310319096 340439071 /nfs/dbraw/zinc/43/90/71/340439071.db2.gz YXQRNWGLKDESIG-GWCFXTLKSA-N 1 0 300.240 3.507 10 0 DHAERO C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccc(C(C)(C)C)cc1 ZINC000189826297 340540229 /nfs/dbraw/zinc/54/02/29/340540229.db2.gz MOBUXFOLPTUVTA-SMDDNHRTSA-N 1 0 303.368 3.948 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000250383608 340613818 /nfs/dbraw/zinc/61/38/18/340613818.db2.gz XFWXPDYBTYOGIB-HIFRSBDPSA-N 1 0 310.894 3.951 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(I)cc1 ZINC000037259329 340780909 /nfs/dbraw/zinc/78/09/09/340780909.db2.gz AWJINVDIEUODFT-VHSXEESVSA-N 1 0 315.198 3.740 10 0 DHAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066391545 340845930 /nfs/dbraw/zinc/84/59/30/340845930.db2.gz ZURLOQWFYYWTRX-WDEREUQCSA-N 1 0 314.832 3.823 10 0 DHAERO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000069052637 340949117 /nfs/dbraw/zinc/94/91/17/340949117.db2.gz CUJHUJYYOSLFFI-UHFFFAOYSA-N 1 0 321.207 3.891 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000133443083 341175359 /nfs/dbraw/zinc/17/53/59/341175359.db2.gz KEVINZUPJCNVLL-PKOBYXMFSA-N 1 0 313.420 3.873 10 0 DHAERO C[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000136139940 341253686 /nfs/dbraw/zinc/25/36/86/341253686.db2.gz DOPHEWZDQRYBJU-BMIGLBTASA-N 1 0 315.244 3.703 10 0 DHAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000079495455 341260033 /nfs/dbraw/zinc/26/00/33/341260033.db2.gz NVXQICAPGDWACW-WMLDXEAASA-N 1 0 323.456 3.504 10 0 DHAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000079905193 341267440 /nfs/dbraw/zinc/26/74/40/341267440.db2.gz GNGUXNOJTAEYFO-ZWKOTPCHSA-N 1 0 305.462 3.780 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000245458879 341295519 /nfs/dbraw/zinc/29/55/19/341295519.db2.gz KWGQNUGJSCEEOC-CORIIIEPSA-N 1 0 301.352 3.907 10 0 DHAERO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCS[C@H](C)C1 ZINC000245494575 341297290 /nfs/dbraw/zinc/29/72/90/341297290.db2.gz NSQDMMHKZFTIPQ-GHMZBOCLSA-N 1 0 323.849 3.888 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H](C)c3cc(F)ccc3F)C2)no1 ZINC000245866530 341316690 /nfs/dbraw/zinc/31/66/90/341316690.db2.gz UMIODEVFVXXENX-YPMHNXCESA-N 1 0 321.371 3.672 10 0 DHAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000245921161 341318355 /nfs/dbraw/zinc/31/83/55/341318355.db2.gz MFARAZIDHHFDAK-FFZOFVMBSA-N 1 0 322.452 3.544 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C)c1Cl ZINC000246126539 341327996 /nfs/dbraw/zinc/32/79/96/341327996.db2.gz PUSRHYFTKGTFPO-KGLIPLIRSA-N 1 0 321.852 3.739 10 0 DHAERO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1)C1CCCC1 ZINC000246300273 341340920 /nfs/dbraw/zinc/34/09/20/341340920.db2.gz CYSHFYZVNAHKIP-INMHGKMJSA-N 1 0 322.518 3.678 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC/C=C/c1ccccc1 ZINC000246940273 341358857 /nfs/dbraw/zinc/35/88/57/341358857.db2.gz KQJDIYQLWZEVCI-KNXUDURGSA-N 1 0 312.457 3.565 10 0 DHAERO C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000247199431 341362272 /nfs/dbraw/zinc/36/22/72/341362272.db2.gz WZBGHOUDCDCWRD-VBNZEHGJSA-N 1 0 323.868 3.573 10 0 DHAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc(F)cc1Br ZINC000247230943 341362393 /nfs/dbraw/zinc/36/23/93/341362393.db2.gz YHGACVAWAWSRGJ-PKFCDNJMSA-N 1 0 316.214 3.806 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(Br)cc1 ZINC000247316643 341363292 /nfs/dbraw/zinc/36/32/92/341363292.db2.gz KPZQOPABOIJJPW-CORIIIEPSA-N 1 0 312.251 3.651 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cccc(-c2ccncc2)c1 ZINC000248177333 341374443 /nfs/dbraw/zinc/37/44/43/341374443.db2.gz VVFUMFDEVKQJIG-YSSFQJQWSA-N 1 0 310.441 3.950 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cc(Cl)ccc1OC(F)F ZINC000248217519 341374769 /nfs/dbraw/zinc/37/47/69/341374769.db2.gz ZXJXVBAFKNWEDG-TVYUQYBPSA-N 1 0 319.779 3.896 10 0 DHAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000248624856 341381849 /nfs/dbraw/zinc/38/18/49/341381849.db2.gz YSFMATQWKWDWHH-NXOAAHMSSA-N 1 0 306.494 3.534 10 0 DHAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000248854289 341388643 /nfs/dbraw/zinc/38/86/43/341388643.db2.gz KUWQOBOBKYLMSP-HOTGVXAUSA-N 1 0 311.853 3.653 10 0 DHAERO CCCC1CCC(C[N@@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)CC1 ZINC000248959109 341390761 /nfs/dbraw/zinc/39/07/61/341390761.db2.gz MCQQQWBFPPQBLT-BACDZXNISA-N 1 0 321.465 3.746 10 0 DHAERO C[C@H](CCC1CC1)[NH2+]C[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000249020109 341392126 /nfs/dbraw/zinc/39/21/26/341392126.db2.gz QLLZZKWLDCRKLH-HLLBOEOZSA-N 1 0 322.518 3.678 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(F)c(Br)c1 ZINC000249724261 341400496 /nfs/dbraw/zinc/40/04/96/341400496.db2.gz HGEUPNNKKLCPPO-QCZZGDTMSA-N 1 0 316.214 3.542 10 0 DHAERO CCC(=O)N1CC[C@@H]([NH2+][C@H](c2ccccc2Cl)C(C)C)C1 ZINC000091371301 341425472 /nfs/dbraw/zinc/42/54/72/341425472.db2.gz XPJOONROSCVQGF-DYVFJYSZSA-N 1 0 308.853 3.638 10 0 DHAERO CCc1ccc([C@@H](C)NC(=O)c2ccccc2CC[NH2+]C)cc1 ZINC000261978288 341510583 /nfs/dbraw/zinc/51/05/83/341510583.db2.gz ZWAOFIUZEZAQSC-OAHLLOKOSA-N 1 0 310.441 3.502 10 0 DHAERO CC(C)(C)[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000262446343 341522479 /nfs/dbraw/zinc/52/24/79/341522479.db2.gz HHOBGEIFXCHFRC-WBVHZDCISA-N 1 0 306.425 3.561 10 0 DHAERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)[C@@H](C)C1 ZINC000181282719 519697991 /nfs/dbraw/zinc/69/79/91/519697991.db2.gz OEIAXAYKLGIEPO-XEZPLFJOSA-N 1 0 303.475 3.676 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1CCCCc3ccccc31)CC2 ZINC000177442434 519896684 /nfs/dbraw/zinc/89/66/84/519896684.db2.gz BEWFUIMVDNFLJH-FUHWJXTLSA-N 1 0 324.472 3.774 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1csc(Cl)c1)CC2 ZINC000191428261 519896830 /nfs/dbraw/zinc/89/68/30/519896830.db2.gz HILZDEBTQQXKFI-JQWIXIFHSA-N 1 0 324.881 3.782 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CC(C)(C)c3ccccc31)CC2 ZINC000180529343 519897437 /nfs/dbraw/zinc/89/74/37/519897437.db2.gz OUSABHJVEVXHFG-RHSMWYFYSA-N 1 0 324.472 3.729 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C12CCOCC2 ZINC000186198719 520373910 /nfs/dbraw/zinc/37/39/10/520373910.db2.gz VFKIDQBTLJNKFW-GUDVDZBRSA-N 1 0 315.457 3.628 10 0 DHAERO CCC[C@H](C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1)[NH+](C)C ZINC000161691662 520989293 /nfs/dbraw/zinc/98/92/93/520989293.db2.gz DDZOUISUKITNOT-MRXNPFEDSA-N 1 0 315.417 3.627 10 0 DHAERO CCC[C@H](C(=O)Nc1cccc(Oc2ccccn2)c1)[NH+](C)C ZINC000162363106 520989437 /nfs/dbraw/zinc/98/94/37/520989437.db2.gz DQEJIAITYKRPLU-MRXNPFEDSA-N 1 0 313.401 3.543 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000106217671 522593270 /nfs/dbraw/zinc/59/32/70/522593270.db2.gz SJXSJQWQDXMXMF-OAHLLOKOSA-N 1 0 303.837 3.936 10 0 DHAERO CC[C@@H](O)CC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000128153684 522989892 /nfs/dbraw/zinc/98/98/92/522989892.db2.gz XHKFVILBCLKZDS-CABCVRRESA-N 1 0 316.470 3.938 10 0 DHAERO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000182556434 524482270 /nfs/dbraw/zinc/48/22/70/524482270.db2.gz KKXSHBJPPVOGME-LLVKDONJSA-N 1 0 308.834 3.999 10 0 DHAERO Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000246732226 524842537 /nfs/dbraw/zinc/84/25/37/524842537.db2.gz YKVOSXKNDNOALC-LMMKCTJWSA-N 1 0 314.473 3.875 10 0 DHAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(Oc2ccccc2)cc1 ZINC000246266318 525181056 /nfs/dbraw/zinc/18/10/56/525181056.db2.gz LLMQYDCEMWHIQI-BHYGNILZSA-N 1 0 324.424 3.784 10 0 DHAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)s1 ZINC000130259898 525635197 /nfs/dbraw/zinc/63/51/97/525635197.db2.gz WLHAFSNYFLJVJM-VXGBXAGGSA-N 1 0 322.865 3.511 10 0 DHAERO Cc1ccc([C@@H](C)[NH2+]CCCc2nc(-c3ccccc3)no2)o1 ZINC000183091716 525724061 /nfs/dbraw/zinc/72/40/61/525724061.db2.gz XXRNYHARBFKBGP-CQSZACIVSA-N 1 0 311.385 3.921 10 0 DHAERO Cc1ccc([C@H](C)[NH2+]C2CCN(CCC(F)(F)F)CC2)o1 ZINC000180157135 525916281 /nfs/dbraw/zinc/91/62/81/525916281.db2.gz LHVLFCITJSYPDF-LBPRGKRZSA-N 1 0 304.356 3.655 10 0 DHAERO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171404 526064311 /nfs/dbraw/zinc/06/43/11/526064311.db2.gz CCYCWFYWAUFUNW-IRXDYDNUSA-N 1 0 320.440 3.905 10 0 DHAERO Cc1cnn(CC[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000178661695 526263693 /nfs/dbraw/zinc/26/36/93/526263693.db2.gz BMWSQFXZEXSQCU-UONOGXRCSA-N 1 0 314.458 3.583 10 0 DHAERO c1cc2n(c1)CC[NH2+][C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000032500379 526449589 /nfs/dbraw/zinc/44/95/89/526449589.db2.gz RFQCJEXQNRTZAC-FQEVSTJZSA-N 1 0 304.393 3.760 10 0 DHAERO [NH3+][C@@H]1CC[C@H](C(=O)N(Cc2ccccc2Cl)C2CCCC2)C1 ZINC000156314125 527368866 /nfs/dbraw/zinc/36/88/66/527368866.db2.gz USXBSNGJMWDJFO-DZGCQCFKSA-N 1 0 320.864 3.739 10 0 DHAERO [NH3+][C@H]1CCC[C@@H](C(=O)NC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000154952477 527401794 /nfs/dbraw/zinc/40/17/94/527401794.db2.gz CVVCHSMGKVTLTJ-CJNGLKHVSA-N 1 0 320.864 3.743 10 0 DHAERO [NH3+][C@H]1CC[C@@H](C(=O)N(Cc2ccccc2Cl)C2CCCC2)C1 ZINC000156313738 527411758 /nfs/dbraw/zinc/41/17/58/527411758.db2.gz USXBSNGJMWDJFO-HIFRSBDPSA-N 1 0 320.864 3.739 10 0 DHAERO CN1CC[NH+]=C(c2cc(Cl)ccc2O)C=C1c1ccccc1 ZINC000000044304 563211709 /nfs/dbraw/zinc/21/17/09/563211709.db2.gz DQEWTZRXQLTMOA-UHFFFAOYSA-N 1 0 312.800 3.821 10 0 DHAERO Brc1ccsc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712523655 563321027 /nfs/dbraw/zinc/32/10/27/563321027.db2.gz PCMHEEDGXIPZJP-SECBINFHSA-N 1 0 300.246 3.807 10 0 DHAERO C[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)[NH2+]CCc1ccsc12 ZINC000712521429 563321261 /nfs/dbraw/zinc/32/12/61/563321261.db2.gz AHMNBSNWKICZEC-PXAZEXFGSA-N 1 0 322.474 3.509 10 0 DHAERO Brc1ccsc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712523659 563321406 /nfs/dbraw/zinc/32/14/06/563321406.db2.gz PCMHEEDGXIPZJP-VIFPVBQESA-N 1 0 300.246 3.807 10 0 DHAERO C[C@@H]1CC(NC(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC000034725280 563451105 /nfs/dbraw/zinc/45/11/05/563451105.db2.gz YZUWHSJNFAERJI-FKEKPDDDSA-N 1 0 318.461 3.953 10 0 DHAERO Cc1cccc(CN(Cc2ccsc2)C[C@@H]2CCCO2)n1 ZINC000055368889 563474632 /nfs/dbraw/zinc/47/46/32/563474632.db2.gz BRVKUSBMNGXXHQ-KRWDZBQOSA-N 1 0 302.443 3.633 10 0 DHAERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)C[C@@H]1NC(=O)OC(C)(C)C ZINC000068592703 563495103 /nfs/dbraw/zinc/49/51/03/563495103.db2.gz PQHYEHZEEAWEJB-INMHGKMJSA-N 1 0 318.461 3.810 10 0 DHAERO CCCn1ncc(C[NH+]2CCC3(CNc4ccccc43)CC2)c1C ZINC000097527863 563540487 /nfs/dbraw/zinc/54/04/87/563540487.db2.gz CDASHOOXZFNRLK-UHFFFAOYSA-N 1 0 324.472 3.561 10 0 DHAERO CC(C)(C)C[C@H]1C[NH2+]C2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000725255651 563558656 /nfs/dbraw/zinc/55/86/56/563558656.db2.gz HFUSTHHMFMDQCC-CQSZACIVSA-N 1 0 310.482 3.802 10 0 DHAERO CC(C)(C)C[C@@H]1C[NH2+][C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000725255638 563558680 /nfs/dbraw/zinc/55/86/80/563558680.db2.gz GQHGIPYVCOLGKP-KSSFIOAISA-N 1 0 310.482 3.802 10 0 DHAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000013719891 563662356 /nfs/dbraw/zinc/66/23/56/563662356.db2.gz WQQFJQJNQYQMBK-UHFFFAOYSA-N 1 0 315.841 3.654 10 0 DHAERO CCC(=O)N(C[C@H](C)[N@H+](C)CCc1ccccc1)c1ccccc1 ZINC000001850017 563797093 /nfs/dbraw/zinc/79/70/93/563797093.db2.gz RXTHKWVSXOIHJS-SFHVURJKSA-N 1 0 324.468 3.993 10 0 in-man DHAERO Cc1cc([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)ccc1F ZINC000675053101 563856541 /nfs/dbraw/zinc/85/65/41/563856541.db2.gz FUPPQOWSKUTMEF-UKRRQHHQSA-N 1 0 308.397 3.533 10 0 DHAERO Cc1cc(C)cc([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675054642 563869081 /nfs/dbraw/zinc/86/90/81/563869081.db2.gz OSOPWKKPPMGEAQ-HOTGVXAUSA-N 1 0 304.434 3.703 10 0 DHAERO Cc1nc(C[NH3+])sc1-c1cc(Br)c(C)s1 ZINC000669379212 563869590 /nfs/dbraw/zinc/86/95/90/563869590.db2.gz AHEMQMUTTDDWCR-UHFFFAOYSA-N 1 0 303.250 3.710 10 0 DHAERO Cc1ccc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c(C)c1 ZINC000675055225 563870604 /nfs/dbraw/zinc/87/06/04/563870604.db2.gz RHXMNUGTXYMOET-HOCLYGCPSA-N 1 0 304.434 3.621 10 0 DHAERO Cc1cc(C[N@@H+](C)C(C)C)c(C)cc1I ZINC000675075695 563911040 /nfs/dbraw/zinc/91/10/40/563911040.db2.gz UKJGVNLVADMRPF-UHFFFAOYSA-N 1 0 317.214 3.748 10 0 DHAERO C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000101417612 563924178 /nfs/dbraw/zinc/92/41/78/563924178.db2.gz MIYNQZRSMKSJTR-ZMSDIMECSA-N 1 0 318.461 3.810 10 0 DHAERO CCc1cccc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675055377 568420066 /nfs/dbraw/zinc/42/00/66/568420066.db2.gz RRVYRSQLQZONER-HOTGVXAUSA-N 1 0 304.434 3.567 10 0 DHAERO CC1CC[NH+]([C@@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000685952468 568422160 /nfs/dbraw/zinc/42/21/60/568422160.db2.gz MIHYOSXTIZUTCL-SFHVURJKSA-N 1 0 310.482 3.898 10 0 DHAERO C[C@@H]1CCC[N@@H+]([C@@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685952264 568422165 /nfs/dbraw/zinc/42/21/65/568422165.db2.gz CJFHCYHXSQYCTB-QAPCUYQASA-N 1 0 310.482 3.898 10 0 DHAERO Cc1cc(C[C@@H](C)[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)[nH]n1 ZINC000090532845 1032406257 /nfs/dbraw/zinc/40/62/57/1032406257.db2.gz YUMMKPRDRIXVAD-BZNIZROVSA-N 1 0 317.408 3.680 10 0 DHAERO CCc1nc(Cc2ccc(OC)cc2)sc1C[NH2+]C(C)C ZINC000082422760 185180510 /nfs/dbraw/zinc/18/05/10/185180510.db2.gz SWMMIWXLYFXDLK-UHFFFAOYSA-N 1 0 304.459 3.803 10 0 DHAERO COc1ccc(-c2nc(C(C)(C)C)c(C[NH3+])s2)cc1OC ZINC000082440539 185183112 /nfs/dbraw/zinc/18/31/12/185183112.db2.gz ULVDXUQYZBPCIY-UHFFFAOYSA-N 1 0 306.431 3.584 10 0 DHAERO O=C(c1ccc(Br)c2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000082726318 185197312 /nfs/dbraw/zinc/19/73/12/185197312.db2.gz ZWYOVYZEQXADIJ-AWEZNQCLSA-N 1 0 304.187 3.537 10 0 DHAERO I/C=C\C[NH2+]Cc1cccc2ccccc21 ZINC000090560414 185303649 /nfs/dbraw/zinc/30/36/49/185303649.db2.gz SQDOINGZYLZAOT-WTKPLQERSA-N 1 0 323.177 3.878 10 0 DHAERO CCn1cc(C2CC[NH+](CC3=Cc4ccccc4OC3)CC2)cn1 ZINC000092809262 185342823 /nfs/dbraw/zinc/34/28/23/185342823.db2.gz KSJVVFRHSLGSFN-UHFFFAOYSA-N 1 0 323.440 3.558 10 0 DHAERO C[C@H]([NH3+])Cc1cccc(OCc2cccc(Br)c2)c1 ZINC000037726440 190665268 /nfs/dbraw/zinc/66/52/68/190665268.db2.gz ZCYQBFQDMFJKNI-LBPRGKRZSA-N 1 0 320.230 3.918 10 0 DHAERO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000235698753 201920247 /nfs/dbraw/zinc/92/02/47/201920247.db2.gz XIKZWNKQKRCMPS-UMNHJUIQSA-N 1 0 315.244 3.559 10 0 DHAERO CC(C)c1cc(NC2CC[NH2+]CC2)nc(-c2cccc(F)c2)n1 ZINC000070451703 190894924 /nfs/dbraw/zinc/89/49/24/190894924.db2.gz UKXKGHICPYNUPA-UHFFFAOYSA-N 1 0 314.408 3.570 10 0 DHAERO CCCC(C)(C)[NH2+]C[C@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000003602658 181038857 /nfs/dbraw/zinc/03/88/57/181038857.db2.gz KHXXYLDDCIKREX-LBPRGKRZSA-N 1 0 305.249 3.777 10 0 in-vitro DHAERO CCC[NH2+]CCCCCNc1cc(OC)cc2cccnc21 ZINC000003642693 181043484 /nfs/dbraw/zinc/04/34/84/181043484.db2.gz RAKXQOOVYOXOFN-UHFFFAOYSA-N 1 0 301.434 3.825 10 0 DHAERO Fc1ccc(CN(c2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC000003943093 181058138 /nfs/dbraw/zinc/05/81/38/181058138.db2.gz ORKNCAZKJYJQJX-UHFFFAOYSA-N 1 0 302.368 3.723 10 0 DHAERO CCCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC(C)C)C[C@@H]1C ZINC000073654297 191336739 /nfs/dbraw/zinc/33/67/39/191336739.db2.gz KJJWJAXSBXZGCI-JKSUJKDBSA-N 1 0 312.498 4.000 10 0 DHAERO C[C@H]1C[C@H]([NH2+]C(C)(C)C)CCN1C(=O)OCc1ccccc1 ZINC000073657109 191337709 /nfs/dbraw/zinc/33/77/09/191337709.db2.gz GWVBCAIXEQPTDQ-GOEBONIOSA-N 1 0 304.434 3.564 10 0 DHAERO CCOC(=O)[C@@H](c1ccccc1)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000005326030 181229740 /nfs/dbraw/zinc/22/97/40/181229740.db2.gz ZJRYRGYVCLTRCT-ROUUACIJSA-N 1 0 303.446 3.844 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N(CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000236898691 202059743 /nfs/dbraw/zinc/05/97/43/202059743.db2.gz LOUMTGJVLYKPMV-SMDDNHRTSA-N 1 0 316.367 3.742 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)c1sccc1C ZINC000236986305 202108353 /nfs/dbraw/zinc/10/83/53/202108353.db2.gz XSJPWRPZWBYRPU-CVEARBPZSA-N 1 0 316.470 3.584 10 0 DHAERO Cc1ccc2cc(C[NH2+][C@@H](CN(C)C)c3ccccc3)ccc2n1 ZINC000187635859 200137268 /nfs/dbraw/zinc/13/72/68/200137268.db2.gz RMKUSSLNBOOAMC-NRFANRHFSA-N 1 0 319.452 3.936 10 0 DHAERO CCCC[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CC[NH2+]CC2 ZINC000255981012 202916291 /nfs/dbraw/zinc/91/62/91/202916291.db2.gz JJKHYJFHNBMARC-OAHLLOKOSA-N 1 0 310.482 3.803 10 0 DHAERO COc1cccc(OC)c1[C@H]([NH3+])c1ccc(Br)cc1 ZINC000019415096 182122514 /nfs/dbraw/zinc/12/25/14/182122514.db2.gz NIOUWSTWVRWJNY-OAHLLOKOSA-N 1 0 322.202 3.514 10 0 DHAERO COc1cccc(OC)c1[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000019415094 182122791 /nfs/dbraw/zinc/12/27/91/182122791.db2.gz NIOUWSTWVRWJNY-HNNXBMFYSA-N 1 0 322.202 3.514 10 0 DHAERO [NH3+]C[C@@H](Oc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000019671434 182135149 /nfs/dbraw/zinc/13/51/49/182135149.db2.gz JVDHRABBLBMMIP-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO CCN(c1ccccc1)[C@H](C[NH3+])c1ccccc1Br ZINC000019805214 182152198 /nfs/dbraw/zinc/15/21/98/182152198.db2.gz YZQYYVWKMGIKPG-MRXNPFEDSA-N 1 0 319.246 3.975 10 0 DHAERO [NH3+][C@@H](Cc1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC000019968398 182171486 /nfs/dbraw/zinc/17/14/86/182171486.db2.gz IVQMLYLRMABKHT-AWEZNQCLSA-N 1 0 312.157 3.970 10 0 DHAERO C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccncc1 ZINC000020121513 182188856 /nfs/dbraw/zinc/18/88/56/182188856.db2.gz FBGDWVATYNMEFF-JTQLQIEISA-N 1 0 309.182 3.834 10 0 DHAERO COc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2C[NH3+])cc1 ZINC000020390852 182213678 /nfs/dbraw/zinc/21/36/78/182213678.db2.gz IVCVHDHPCWZWDF-UHFFFAOYSA-N 1 0 313.788 3.660 10 0 DHAERO [NH3+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000020483465 182223101 /nfs/dbraw/zinc/22/31/01/182223101.db2.gz JRMHQKCQOBDDOU-UHFFFAOYSA-N 1 0 310.166 3.626 10 0 DHAERO [NH3+][C@H](Cc1nc2ccccc2o1)c1ccc(Br)cc1 ZINC000020428064 182216473 /nfs/dbraw/zinc/21/64/73/182216473.db2.gz NFGPXIIIEFIPAK-GFCCVEGCSA-N 1 0 317.186 3.833 10 0 DHAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2cccc(Cl)c2Cl)C1 ZINC000021012389 182260100 /nfs/dbraw/zinc/26/01/00/182260100.db2.gz WTBYDPGEEXZUMU-GYSYKLTISA-N 1 0 301.261 3.971 10 0 DHAERO C[C@H](Cc1ccccc1)N1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000022042561 182306156 /nfs/dbraw/zinc/30/61/56/182306156.db2.gz VIYHGODXJCNFCQ-BGYRXZFFSA-N 1 0 322.496 3.866 10 0 investigational DHAERO C[NH2+][C@H](Cc1cccc(Br)c1)c1cccc(OC)c1 ZINC000037533249 182904919 /nfs/dbraw/zinc/90/49/19/182904919.db2.gz SWJWIKOAHPQGAW-MRXNPFEDSA-N 1 0 320.230 3.961 10 0 DHAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccncc1 ZINC000040226545 183047571 /nfs/dbraw/zinc/04/75/71/183047571.db2.gz GWVALARTCAMMOQ-HNNXBMFYSA-N 1 0 303.203 3.621 10 0 DHAERO CCC(CC)[C@H](C[NH3+])N(C)Cc1csc(Br)c1 ZINC000042360981 183257775 /nfs/dbraw/zinc/25/77/75/183257775.db2.gz AWFWOHPVEOVHKS-LBPRGKRZSA-N 1 0 319.312 3.706 10 0 DHAERO C[C@H](CN1CCCC1)[NH2+][C@H](C)c1sccc1Br ZINC000042598358 183289704 /nfs/dbraw/zinc/28/97/04/183289704.db2.gz PWFUXCCVSTWRFQ-GHMZBOCLSA-N 1 0 317.296 3.646 10 0 DHAERO [NH3+]C[C@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC000042899662 183317164 /nfs/dbraw/zinc/31/71/64/183317164.db2.gz KKUYNKYMPHWTCL-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO CC[C@@H](N)[C@@H](c1ccc(Br)cc1)[N@H+](C)CC(C)C ZINC000042952914 183321770 /nfs/dbraw/zinc/32/17/70/183321770.db2.gz ZIXNJFVLRGFAKE-HUUCEWRRSA-N 1 0 313.283 3.815 10 0 DHAERO CC[C@@H](N)[C@H](c1ccc(Br)cc1)[N@H+](C)CC(C)C ZINC000042952918 183321980 /nfs/dbraw/zinc/32/19/80/183321980.db2.gz ZIXNJFVLRGFAKE-CABCVRRESA-N 1 0 313.283 3.815 10 0 DHAERO CC[C@H](N)[C@H](c1ccc(Br)cc1)[N@H+](CC)C(C)C ZINC000042952818 183322365 /nfs/dbraw/zinc/32/23/65/183322365.db2.gz PKPDXXYATVWTEE-GJZGRUSLSA-N 1 0 313.283 3.958 10 0 DHAERO CC(C)CCO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042957193 183322680 /nfs/dbraw/zinc/32/26/80/183322680.db2.gz GJQOVUNKXYRENS-SMDDNHRTSA-N 1 0 300.240 3.900 10 0 DHAERO CC(C)C[C@@H](C)O[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957494 183322765 /nfs/dbraw/zinc/32/27/65/183322765.db2.gz NMPALDWMLFMENW-BXUZGUMPSA-N 1 0 300.240 3.900 10 0 DHAERO Cc1cccc([C@H](C[NH3+])Oc2cccc(Br)c2)c1 ZINC000042968131 183324492 /nfs/dbraw/zinc/32/44/92/183324492.db2.gz CHRZBGHDAFKUPF-HNNXBMFYSA-N 1 0 306.203 3.836 10 0 DHAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCCCCC1 ZINC000043019863 183328523 /nfs/dbraw/zinc/32/85/23/183328523.db2.gz LOJZGANNOJOBFU-SWLSCSKDSA-N 1 0 311.267 3.713 10 0 DHAERO CCCN([C@H](c1cccc(Br)c1)[C@@H](C)[NH3+])C1CC1 ZINC000043020361 183328529 /nfs/dbraw/zinc/32/85/29/183328529.db2.gz KSAYXUPJZIEVLU-ABAIWWIYSA-N 1 0 311.267 3.712 10 0 DHAERO C[C@H]([NH3+])[C@H](OCc1ccco1)c1cccc(Br)c1 ZINC000043022354 183330351 /nfs/dbraw/zinc/33/03/51/183330351.db2.gz HJTLEIAXLWCZTI-HZMBPMFUSA-N 1 0 310.191 3.647 10 0 DHAERO CC(C)CCO[C@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043022875 183330658 /nfs/dbraw/zinc/33/06/58/183330658.db2.gz NERNXWHNNPOHJW-FZMZJTMJSA-N 1 0 300.240 3.900 10 0 DHAERO [NH3+]C[C@@H](Oc1ccccc1F)c1cccc(Br)c1 ZINC000043022518 183330703 /nfs/dbraw/zinc/33/07/03/183330703.db2.gz CEZXMINPQAEYQP-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](SCCOC)c1cccc(Br)c1 ZINC000043024914 183331407 /nfs/dbraw/zinc/33/14/07/183331407.db2.gz MAYLNMZUULWVAZ-OLZOCXBDSA-N 1 0 318.280 3.607 10 0 DHAERO COc1cccc([C@@H](C[NH3+])Oc2cccc(Br)c2)c1 ZINC000043029592 183331440 /nfs/dbraw/zinc/33/14/40/183331440.db2.gz NDJFFOLRBMEVDL-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO Cc1ccccc1[C@@H](C[NH3+])Oc1ccccc1Br ZINC000043039540 183331918 /nfs/dbraw/zinc/33/19/18/183331918.db2.gz GZEBDLUFUXSALD-OAHLLOKOSA-N 1 0 306.203 3.836 10 0 DHAERO Cc1ccc(O[C@@H](C[NH3+])c2ccccc2F)c(Br)c1 ZINC000043047988 183332110 /nfs/dbraw/zinc/33/21/10/183332110.db2.gz CWUIYLDVFRNYMX-HNNXBMFYSA-N 1 0 324.193 3.975 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](SCCOC)c1ccccc1Br ZINC000043096236 183337216 /nfs/dbraw/zinc/33/72/16/183337216.db2.gz UWDZRPGPRUNBPX-OLZOCXBDSA-N 1 0 318.280 3.607 10 0 DHAERO CC(C)CCO[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043094590 183337636 /nfs/dbraw/zinc/33/76/36/183337636.db2.gz YNVZUIMDBYICJJ-RISCZKNCSA-N 1 0 300.240 3.900 10 0 DHAERO [NH3+]C[C@@H](Oc1ccc(F)cc1Br)c1cccs1 ZINC000043107784 183338343 /nfs/dbraw/zinc/33/83/43/183338343.db2.gz FGCUBHLEQAGBFE-LLVKDONJSA-N 1 0 316.195 3.729 10 0 DHAERO C[C@@H]([NH3+])[C@H](Oc1cccc(Br)c1)c1cccs1 ZINC000043108533 183338530 /nfs/dbraw/zinc/33/85/30/183338530.db2.gz QNNMABNPQXHULO-RNCFNFMXSA-N 1 0 312.232 3.978 10 0 DHAERO CCCCN(CC)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043090950 183335533 /nfs/dbraw/zinc/33/55/33/183335533.db2.gz VBWMRTXMOKODNA-IUODEOHRSA-N 1 0 313.283 3.959 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(CC)C(C)C ZINC000043091239 183335630 /nfs/dbraw/zinc/33/56/30/183335630.db2.gz OJBLXDJGKMQGHJ-LSDHHAIUSA-N 1 0 313.283 3.958 10 0 DHAERO CC[C@H](C)CN(C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091395 183335702 /nfs/dbraw/zinc/33/57/02/183335702.db2.gz QHSREBHKERBEEQ-YWPYICTPSA-N 1 0 313.283 3.815 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CC(C)C ZINC000043091336 183335804 /nfs/dbraw/zinc/33/58/04/183335804.db2.gz YVSQSJVYLFFSKW-HUUCEWRRSA-N 1 0 313.283 3.815 10 0 DHAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N1CCC[C@@H]1C ZINC000043092392 183335930 /nfs/dbraw/zinc/33/59/30/183335930.db2.gz NRZYKGLNUZTZFA-GLQYFDAESA-N 1 0 311.267 3.712 10 0 DHAERO CC(C)c1nccn1[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043093768 183336437 /nfs/dbraw/zinc/33/64/37/183336437.db2.gz AHCQLALFAATMLS-RISCZKNCSA-N 1 0 322.250 3.706 10 0 DHAERO Oc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1Cl ZINC000043477059 183365724 /nfs/dbraw/zinc/36/57/24/183365724.db2.gz LNZVHJQIAGAHLO-UHFFFAOYSA-N 1 0 300.789 3.859 10 0 DHAERO C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106080083 194183978 /nfs/dbraw/zinc/18/39/78/194183978.db2.gz XIPFJSNTIMXNFG-ZDUSSCGKSA-N 1 0 316.836 3.768 10 0 DHAERO [NH3+]CCc1cccc(Br)c1OCc1cccc(F)c1 ZINC000048797861 183687323 /nfs/dbraw/zinc/68/73/23/183687323.db2.gz BNEZULXWWKOASP-UHFFFAOYSA-N 1 0 324.193 3.668 10 0 DHAERO CC(C)C[C@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000049595992 183745336 /nfs/dbraw/zinc/74/53/36/183745336.db2.gz BOFQAZDAZLZGQE-LBPRGKRZSA-N 1 0 300.240 3.852 10 0 DHAERO CC[NH2+][C@@H](CC)CCc1cc(Br)ccc1OC ZINC000049596887 183745623 /nfs/dbraw/zinc/74/56/23/183745623.db2.gz XUQNNQDNRUFESH-ZDUSSCGKSA-N 1 0 300.240 3.778 10 0 DHAERO CC[C@@H](C)[C@](C)([NH3+])Cc1cc(Br)ccc1OC ZINC000049598031 183746218 /nfs/dbraw/zinc/74/62/18/183746218.db2.gz QJPZRHUXYYLUOD-QMTHXVAHSA-N 1 0 300.240 3.764 10 0 DHAERO C[C@@H](CCC[NH2+]C1CC1)Oc1ccc(F)cc1Br ZINC000052651803 183867567 /nfs/dbraw/zinc/86/75/67/183867567.db2.gz AKDHVWWNCAXXQS-JTQLQIEISA-N 1 0 316.214 3.888 10 0 DHAERO CC[C@H](C[NH2+]C(C)C)Oc1ccc(Br)cc1F ZINC000052695573 183868686 /nfs/dbraw/zinc/86/86/86/183868686.db2.gz HFMMOLQWXBWRRF-LLVKDONJSA-N 1 0 304.203 3.744 10 0 DHAERO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)cc1 ZINC000057382150 184036926 /nfs/dbraw/zinc/03/69/26/184036926.db2.gz RFYNGSLWDHMQJM-ZDUSSCGKSA-N 1 0 302.805 3.938 10 0 DHAERO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000057382206 184037116 /nfs/dbraw/zinc/03/71/16/184037116.db2.gz JNADZCYPXCYQEW-ZDUSSCGKSA-N 1 0 302.805 3.938 10 0 DHAERO Cc1ccc(N[C@@H](C[NH3+])c2cccc(Br)c2)cc1 ZINC000057634086 184043183 /nfs/dbraw/zinc/04/31/83/184043183.db2.gz GNEMNBCFMASQPR-HNNXBMFYSA-N 1 0 305.219 3.869 10 0 DHAERO Oc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1Br ZINC000057942675 184063465 /nfs/dbraw/zinc/06/34/65/184063465.db2.gz NJMJZUKAJVNHCF-UHFFFAOYSA-N 1 0 310.166 3.584 10 0 DHAERO CCC[NH2+][C@@H](C)c1ccc(-n2ccnc2)c(Br)c1 ZINC000061698311 184183922 /nfs/dbraw/zinc/18/39/22/184183922.db2.gz KQDPUAQZLZAWFS-NSHDSACASA-N 1 0 308.223 3.695 10 0 DHAERO Cc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2Br)cn1 ZINC000061699795 184183926 /nfs/dbraw/zinc/18/39/26/184183926.db2.gz NLFXFDVJIWDLDC-SNVBAGLBSA-N 1 0 307.191 3.965 10 0 DHAERO CN(Cc1cccc(Br)c1)[C@@H](C[NH3+])CC(C)(C)C ZINC000061839865 184189563 /nfs/dbraw/zinc/18/95/63/184189563.db2.gz IXVQCLHVCSVYKC-CQSZACIVSA-N 1 0 313.283 3.644 10 0 DHAERO CC1(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC[NH2+]CC1 ZINC000062839506 184255572 /nfs/dbraw/zinc/25/55/72/184255572.db2.gz IJRHAZUUUMIQKT-UHFFFAOYSA-N 1 0 321.635 3.975 10 0 DHAERO C[C@@]1(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCC[NH2+]C1 ZINC000062853239 184256706 /nfs/dbraw/zinc/25/67/06/184256706.db2.gz CECCCQAFXJYKHE-CYBMUJFWSA-N 1 0 321.635 3.975 10 0 DHAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1cc(F)ccc1C ZINC000062665136 184247260 /nfs/dbraw/zinc/24/72/60/184247260.db2.gz KPTDTJSCNNGCCM-HNNXBMFYSA-N 1 0 324.193 3.953 10 0 DHAERO FC(F)(F)c1cc(OC[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000066346101 184403904 /nfs/dbraw/zinc/40/39/04/184403904.db2.gz ZLWSPNLYAFQQDI-SNVBAGLBSA-N 1 0 313.241 3.855 10 0 DHAERO CO[C@@H]1CC[N@H+](Cc2nc(C)cs2)C[C@H]1Cc1ccccc1 ZINC000247970906 257112988 /nfs/dbraw/zinc/11/29/88/257112988.db2.gz SFKXYWNJFIHWDZ-IAGOWNOFSA-N 1 0 316.470 3.531 10 0 DHAERO CO[C@H]1CC[N@H+](Cc2nccs2)C[C@H]1Cc1cccc(C)c1 ZINC000247882423 257115152 /nfs/dbraw/zinc/11/51/52/257115152.db2.gz RKZLCRJSTNEONC-SJORKVTESA-N 1 0 316.470 3.531 10 0 DHAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000120428614 132142086 /nfs/dbraw/zinc/14/20/86/132142086.db2.gz BOSUYKPELBRRED-FZKQIMNGSA-N 1 0 304.384 3.918 10 0 DHAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000037799161 331586550 /nfs/dbraw/zinc/58/65/50/331586550.db2.gz UDSIMLLAENFNFB-OAHLLOKOSA-N 1 0 323.223 3.652 10 0 DHAERO C[C@H]([NH3+])CCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000070317706 331663058 /nfs/dbraw/zinc/66/30/58/331663058.db2.gz XDIVODOXHNQUSN-ZDUSSCGKSA-N 1 0 300.427 3.904 10 0 DHAERO Cc1cccc(Oc2ccccc2NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000261952359 331704785 /nfs/dbraw/zinc/70/47/85/331704785.db2.gz WMWULTGWCOIOEM-AWEZNQCLSA-N 1 0 310.397 3.581 10 0 DHAERO Cc1cccc(Oc2ccccc2NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000261704902 331790340 /nfs/dbraw/zinc/79/03/40/331790340.db2.gz LUPCXCCPAWHUAC-GDBMZVCRSA-N 1 0 310.397 3.581 10 0 DHAERO CC[C@]1(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000128974345 332016701 /nfs/dbraw/zinc/01/67/01/332016701.db2.gz AQQQAMHZGMJJDZ-MEBBXXQBSA-N 1 0 315.244 3.703 10 0 DHAERO CSc1cccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000130033664 332022190 /nfs/dbraw/zinc/02/21/90/332022190.db2.gz SSQHFVRMOQEHQU-BLLLJJGKSA-N 1 0 300.427 3.683 10 0 DHAERO Cc1ccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c(Cl)c1 ZINC000130117976 332023073 /nfs/dbraw/zinc/02/30/73/332023073.db2.gz RBTBCOLKFKQNGU-BLLLJJGKSA-N 1 0 302.805 3.923 10 0 DHAERO C[C@H](C(=O)Nc1ccc(Cl)cc1F)[C@H]([NH3+])c1ccccc1 ZINC000130202748 332023212 /nfs/dbraw/zinc/02/32/12/332023212.db2.gz HXAUSKXPEDYTJM-BONVTDFDSA-N 1 0 306.768 3.754 10 0 DHAERO C[C@H](C(=O)Nc1ccc(Cl)cc1F)[C@@H]([NH3+])c1ccccc1 ZINC000130203173 332023313 /nfs/dbraw/zinc/02/33/13/332023313.db2.gz HXAUSKXPEDYTJM-ZUZCIYMTSA-N 1 0 306.768 3.754 10 0 DHAERO CSC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000187742697 332146765 /nfs/dbraw/zinc/14/67/65/332146765.db2.gz QUMJMOKKNRADJA-RDTXWAMCSA-N 1 0 301.455 3.728 10 0 DHAERO C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000261830835 332454802 /nfs/dbraw/zinc/45/48/02/332454802.db2.gz UEQUYQOALYKIOO-UKPHBRMFSA-N 1 0 302.462 3.679 10 0 DHAERO COCCC[C@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000178027122 333001162 /nfs/dbraw/zinc/00/11/62/333001162.db2.gz QGTUSAFKVOVHTI-RYUDHWBXSA-N 1 0 300.240 3.915 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)CC2 ZINC000171981337 333056794 /nfs/dbraw/zinc/05/67/94/333056794.db2.gz RXCKCRHSUNLHNW-WFASDCNBSA-N 1 0 318.852 3.721 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000171981317 333056862 /nfs/dbraw/zinc/05/68/62/333056862.db2.gz CMMSWGLJQCQJBH-SWLSCSKDSA-N 1 0 318.852 3.721 10 0 DHAERO COC(=O)c1ccc(F)c(CN[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000182104591 333149557 /nfs/dbraw/zinc/14/95/57/333149557.db2.gz BMMUCIJPGZBKTI-SNVBAGLBSA-N 1 0 323.314 3.741 10 0 DHAERO C[C@@H]([NH2+]CCn1cc(Cl)cn1)c1ccc(F)c(Cl)c1 ZINC000388543341 333323533 /nfs/dbraw/zinc/32/35/33/333323533.db2.gz RXGACNJOYWWQCJ-SECBINFHSA-N 1 0 302.180 3.680 10 0 DHAERO O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000388587225 333358945 /nfs/dbraw/zinc/35/89/45/333358945.db2.gz XTWKFKYVTYLTSY-APHBMKBZSA-N 1 0 324.262 3.577 10 0 DHAERO Cc1ccc([C@@H](C)NC(=O)CC2(C[NH3+])CCCCC2)cc1F ZINC000185359999 333369579 /nfs/dbraw/zinc/36/95/79/333369579.db2.gz FANYZRXQPFVDEG-CQSZACIVSA-N 1 0 306.425 3.611 10 0 DHAERO Cc1cnn(CC[NH2+][C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000123842019 333475126 /nfs/dbraw/zinc/47/51/26/333475126.db2.gz KTXRVIOPVZEJRK-AWEZNQCLSA-N 1 0 307.850 3.672 10 0 DHAERO COc1ccc([C@@H](C)C[NH2+][C@H](C)c2ccncc2OC)cc1 ZINC000189563800 334900590 /nfs/dbraw/zinc/90/05/90/334900590.db2.gz XKUVEUYFPIIPEF-UONOGXRCSA-N 1 0 300.402 3.553 10 0 DHAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000395205663 335789268 /nfs/dbraw/zinc/78/92/68/335789268.db2.gz JCEHIJFGTDCUTJ-HNAYVOBHSA-N 1 0 324.424 3.592 10 0 DHAERO COC(=O)C1CCC([NH2+][C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000192446069 336032802 /nfs/dbraw/zinc/03/28/02/336032802.db2.gz CVGXRCSITFCKDO-FAYHIZQSSA-N 1 0 301.430 3.946 10 0 DHAERO COC(=O)C1CCC([NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000192447589 336033012 /nfs/dbraw/zinc/03/30/12/336033012.db2.gz PNNULFMTRFWDSX-WBTBYHMDSA-N 1 0 301.430 3.550 10 0 DHAERO CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc(Br)c1 ZINC000324270251 336125809 /nfs/dbraw/zinc/12/58/09/336125809.db2.gz KOZCXEICVQUIFY-KBPBESRZSA-N 1 0 314.267 3.897 10 0 DHAERO Cc1ccc([C@H]([NH2+]CCn2ccnc2)c2ccccc2)c(C)c1 ZINC000194336085 338515100 /nfs/dbraw/zinc/51/51/00/338515100.db2.gz AWKHOVZPCSNCIT-HXUWFJFHSA-N 1 0 305.425 3.879 10 0 DHAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCSCc1ccccc1)CC2 ZINC000192624918 336199644 /nfs/dbraw/zinc/19/96/44/336199644.db2.gz OBVKPLSFZNJSFB-QZTJIDSGSA-N 1 0 305.487 3.547 10 0 DHAERO Cc1cncc(-c2nc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)no2)c1 ZINC000333560373 336205498 /nfs/dbraw/zinc/20/54/98/336205498.db2.gz NZTWNJJKTCXODM-ZBFHGGJFSA-N 1 0 312.417 3.595 10 0 DHAERO COC(=O)CCC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000037416921 336239422 /nfs/dbraw/zinc/23/94/22/336239422.db2.gz FOYKJYLODRDZTR-QMMMGPOBSA-N 1 0 308.180 3.736 10 0 DHAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1C(C)(C)C ZINC000043314796 336253598 /nfs/dbraw/zinc/25/35/98/336253598.db2.gz DAUKMVMPHYGYBE-AWEZNQCLSA-N 1 0 305.466 3.836 10 0 DHAERO CC(C)c1ccc([C@@H](C)NC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000192772628 336261325 /nfs/dbraw/zinc/26/13/25/336261325.db2.gz ATBVLUDCXSADGL-DNVCBOLYSA-N 1 0 310.441 3.557 10 0 DHAERO CCC[N@@H+]1CCCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000301607823 336317905 /nfs/dbraw/zinc/31/79/05/336317905.db2.gz OCMHSYDFSHJQCG-UHFFFAOYSA-N 1 0 301.459 3.732 10 0 DHAERO Cc1nn(C)c(C)c1C[C@@H](C)Nc1cc[nH+]c2c(C)cccc12 ZINC000301670893 336322257 /nfs/dbraw/zinc/32/22/57/336322257.db2.gz NVUOEDYKHYOGDK-CYBMUJFWSA-N 1 0 308.429 3.937 10 0 DHAERO Cc1cc(N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c2cccc(F)c2n1 ZINC000301680939 336323065 /nfs/dbraw/zinc/32/30/65/336323065.db2.gz RWVFBQXWYMYELI-XWIAVFTESA-N 1 0 314.404 3.932 10 0 DHAERO Cc1ccc([C@](C)(O)CNc2cc(C)nc3c(F)cccc23)o1 ZINC000301696891 336324213 /nfs/dbraw/zinc/32/42/13/336324213.db2.gz ZJSZCSMVTHVSND-GOSISDBHSA-N 1 0 314.360 3.903 10 0 DHAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ncnc2ccc(F)cc21 ZINC000302002567 336342492 /nfs/dbraw/zinc/34/24/92/336342492.db2.gz JNMCTPHSMADBOY-AWEZNQCLSA-N 1 0 324.403 3.701 10 0 DHAERO CNC(=O)[C@H]1CCCC[C@H]1Nc1c(C)c(C)[nH+]c2ccccc21 ZINC000302102349 336348665 /nfs/dbraw/zinc/34/86/65/336348665.db2.gz VQHOODWBVOISGL-DOTOQJQBSA-N 1 0 311.429 3.568 10 0 DHAERO COc1cc(C[NH2+][C@H]2C[C@H]2C)ccc1OCc1cccs1 ZINC000105437887 336387457 /nfs/dbraw/zinc/38/74/57/336387457.db2.gz ZJMSANMKHUDIMD-DOMZBBRYSA-N 1 0 303.427 3.834 10 0 DHAERO CCOc1cc(C[NH2+][C@H]2C[C@H]2C)ccc1OCC(F)(F)F ZINC000105437157 336387509 /nfs/dbraw/zinc/38/75/09/336387509.db2.gz CDHDRCQWNHPNCT-PWSUYJOCSA-N 1 0 303.324 3.524 10 0 DHAERO CCCCOC[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000193358259 336699648 /nfs/dbraw/zinc/69/96/48/336699648.db2.gz QAVOYAFBMPTNPN-IRXDYDNUSA-N 1 0 311.853 3.558 10 0 DHAERO COc1c(C)cc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1C ZINC000123012438 337033987 /nfs/dbraw/zinc/03/39/87/337033987.db2.gz UWMLQMXLNLZOGL-GOSISDBHSA-N 1 0 313.445 3.654 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@@H+](CC[C@@H](C)c3ccccc3)C2)no1 ZINC000193856949 337079746 /nfs/dbraw/zinc/07/97/46/337079746.db2.gz PIMJUPHOARZAMK-WBVHZDCISA-N 1 0 313.445 3.826 10 0 DHAERO C[C@@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)CCS1 ZINC000171688203 337088569 /nfs/dbraw/zinc/08/85/69/337088569.db2.gz QQNRJSWKZYCMKK-LLVKDONJSA-N 1 0 305.365 3.565 10 0 DHAERO O=C(CC[N@@H+]1CCC[C@@H]1c1ccco1)Nc1ccccc1F ZINC000172026489 337090999 /nfs/dbraw/zinc/09/09/99/337090999.db2.gz DFBAXLBQBBJXPC-OAHLLOKOSA-N 1 0 302.349 3.584 10 0 DHAERO CC1(C)SC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000393840425 337094038 /nfs/dbraw/zinc/09/40/38/337094038.db2.gz SGEFJEGQSHZBQT-CHWSQXEVSA-N 1 0 312.276 3.920 10 0 DHAERO Cc1ccc([C@H]2CCCCN2Cc2nnc(C(C)C)n2C)o1 ZINC000172870700 337131693 /nfs/dbraw/zinc/13/16/93/337131693.db2.gz PCTBVEDWUILLDW-CQSZACIVSA-N 1 0 302.422 3.567 10 0 DHAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1cccc(Cl)c1)CC2 ZINC000173397314 337135124 /nfs/dbraw/zinc/13/51/24/337135124.db2.gz UONZMYDFQWOZPY-GJZGRUSLSA-N 1 0 318.852 3.550 10 0 DHAERO CCC[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000177336594 337156970 /nfs/dbraw/zinc/15/69/70/337156970.db2.gz MLDQRNXJLVZUGC-ROUUACIJSA-N 1 0 317.477 3.654 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc([S@@](C)=O)cc1 ZINC000178276104 337162032 /nfs/dbraw/zinc/16/20/32/337162032.db2.gz BOJDBYYALQZJDM-OIAISFKWSA-N 1 0 315.438 3.598 10 0 DHAERO Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)c1 ZINC000178320144 337163771 /nfs/dbraw/zinc/16/37/71/337163771.db2.gz ZSSVZSOQXSDWAM-CABCVRRESA-N 1 0 310.397 3.853 10 0 DHAERO C[C@@H]([NH3+])CCNC(=O)c1ccccc1SCc1cccs1 ZINC000178652027 337165822 /nfs/dbraw/zinc/16/58/22/337165822.db2.gz TYGYURWFNJESAQ-GFCCVEGCSA-N 1 0 320.483 3.508 10 0 DHAERO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000179530489 337170160 /nfs/dbraw/zinc/17/01/60/337170160.db2.gz ZIAJKOCBYLYJOJ-GRFAERAESA-N 1 0 324.472 3.710 10 0 DHAERO Cc1csc([C@@H]2CCC[N@@H+](Cc3cnn(C(C)C)c3)C2)n1 ZINC000179826831 337172002 /nfs/dbraw/zinc/17/20/02/337172002.db2.gz UOTIRQUIODHRSG-OAHLLOKOSA-N 1 0 304.463 3.609 10 0 DHAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc3ccccc3o1)CC2 ZINC000180645925 337176942 /nfs/dbraw/zinc/17/69/42/337176942.db2.gz JIWCLKICUSUSIT-HIFRSBDPSA-N 1 0 324.428 3.813 10 0 DHAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c1C ZINC000180653178 337176954 /nfs/dbraw/zinc/17/69/54/337176954.db2.gz SCHXITCRILUXRI-HOTGVXAUSA-N 1 0 312.461 3.684 10 0 DHAERO CC[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Br)cc1 ZINC000222704765 337180216 /nfs/dbraw/zinc/18/02/16/337180216.db2.gz QLZVQOYNPQFXGQ-GJZGRUSLSA-N 1 0 311.267 3.584 10 0 DHAERO C[C@@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCO1 ZINC000183119558 337190077 /nfs/dbraw/zinc/19/00/77/337190077.db2.gz HGEWQCVFRXBKLA-RISCZKNCSA-N 1 0 306.793 3.652 10 0 DHAERO C[C@H](N[C@@H](C)c1cccc(Cl)c1F)c1nnc2n1CCCC2 ZINC000184660814 337199776 /nfs/dbraw/zinc/19/97/76/337199776.db2.gz VNWNFSXODNFWMO-QWRGUYRKSA-N 1 0 322.815 3.819 10 0 DHAERO c1cc(C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)n[nH]1 ZINC000191303857 337295828 /nfs/dbraw/zinc/29/58/28/337295828.db2.gz PIKQDQUIEBTIEJ-UHFFFAOYSA-N 1 0 311.429 3.578 10 0 DHAERO C[NH+](C)CCN1c2ccccc2OCc2ccc(Cl)cc21 ZINC000584602241 337371057 /nfs/dbraw/zinc/37/10/57/337371057.db2.gz ZSECUZNWFNJUKH-UHFFFAOYSA-N 1 0 302.805 3.932 10 0 DHAERO CCCCOc1ccc([C@H]2N=C(CC[NH2+]CC)ON2CC)cc1 ZINC000584614139 337372563 /nfs/dbraw/zinc/37/25/63/337372563.db2.gz SRWKFQUBSKXFTJ-SFHVURJKSA-N 1 0 319.449 3.529 10 0 DHAERO CC(C)Oc1ccccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106182361 337386995 /nfs/dbraw/zinc/38/69/95/337386995.db2.gz MWCCTPRLJKHPHZ-UHFFFAOYSA-N 1 0 313.445 3.583 10 0 DHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCOc1cccc(C)c1 ZINC000106210951 337387118 /nfs/dbraw/zinc/38/71/18/337387118.db2.gz XHVJHJDYQAEUDQ-GOSISDBHSA-N 1 0 313.445 3.561 10 0 DHAERO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000123964885 337402528 /nfs/dbraw/zinc/40/25/28/337402528.db2.gz ROFCGGDZGYFNAG-HNNXBMFYSA-N 1 0 308.429 3.779 10 0 DHAERO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1ccc2ccccc2c1 ZINC000126451247 337416865 /nfs/dbraw/zinc/41/68/65/337416865.db2.gz SUXUZZQOEIFTBM-GFCCVEGCSA-N 1 0 311.410 3.586 10 0 DHAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000246573049 337553661 /nfs/dbraw/zinc/55/36/61/337553661.db2.gz YEKTXMOTZWZBPH-LVQVYYBASA-N 1 0 304.482 3.521 10 0 DHAERO CCCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H](CC)c1ccccc1 ZINC000261625798 337606736 /nfs/dbraw/zinc/60/67/36/337606736.db2.gz BFJCLHHUIWSPMR-KZNAEPCWSA-N 1 0 302.462 3.751 10 0 DHAERO CC(C)(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000261668354 337608284 /nfs/dbraw/zinc/60/82/84/337608284.db2.gz FUQQMEHTTTXELY-KFNAQCHYSA-N 1 0 324.415 3.543 10 0 DHAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000261787428 337610508 /nfs/dbraw/zinc/61/05/08/337610508.db2.gz PXGJIUDCNNPFKC-POZUXBRTSA-N 1 0 318.436 3.691 10 0 DHAERO C[NH2+]Cc1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000036280476 337747144 /nfs/dbraw/zinc/74/71/44/337747144.db2.gz PTPARUDQCUPVPG-UHFFFAOYSA-N 1 0 309.196 3.965 10 0 DHAERO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2F)cc1 ZINC000120435680 337873885 /nfs/dbraw/zinc/87/38/85/337873885.db2.gz JQGNTFPZNOZYSB-ZDUSSCGKSA-N 1 0 300.377 3.677 10 0 DHAERO c1ncn(C2CC[NH+](Cc3cc(-c4ccccc4)cs3)CC2)n1 ZINC000092648156 337906906 /nfs/dbraw/zinc/90/69/06/337906906.db2.gz FGMRGFSFWVYXTE-UHFFFAOYSA-N 1 0 324.453 3.844 10 0 DHAERO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000122966836 337935021 /nfs/dbraw/zinc/93/50/21/337935021.db2.gz GTBPIHBQAZIXNK-JSGCOSHPSA-N 1 0 316.401 3.665 10 0 DHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccccc2C)o1 ZINC000122981385 337937476 /nfs/dbraw/zinc/93/74/76/337937476.db2.gz WZTKIAOMDCXRRI-ZFWWWQNUSA-N 1 0 300.402 3.964 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1Br ZINC000165245898 339052888 /nfs/dbraw/zinc/05/28/88/339052888.db2.gz KXERZOCADJDNPS-FZZIBODNSA-N 1 0 316.214 3.542 10 0 DHAERO C[C@@H]1CC(C[NH2+]Cc2ccccc2Br)C[C@@H](C)O1 ZINC000466425448 339204358 /nfs/dbraw/zinc/20/43/58/339204358.db2.gz KKONXDAUTDDWFY-VXGBXAGGSA-N 1 0 312.251 3.742 10 0 DHAERO Clc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c2ncccc12 ZINC000172801528 340342378 /nfs/dbraw/zinc/34/23/78/340342378.db2.gz SMOCTIPBMODWTJ-OAHLLOKOSA-N 1 0 315.848 3.558 10 0 DHAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000173828138 340375188 /nfs/dbraw/zinc/37/51/88/340375188.db2.gz SSXVGQPZGKZVGA-GDBMZVCRSA-N 1 0 321.465 3.555 10 0 DHAERO C[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1cccc(Cl)c1 ZINC000007500144 340466338 /nfs/dbraw/zinc/46/63/38/340466338.db2.gz COUCIZQNSYJMER-ZDUSSCGKSA-N 1 0 314.816 3.580 10 0 DHAERO CC[C@@]1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000214282852 340484584 /nfs/dbraw/zinc/48/45/84/340484584.db2.gz DJZSWUZPGAOCMV-ZDUSSCGKSA-N 1 0 320.742 3.830 10 0 DHAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000184081001 340490734 /nfs/dbraw/zinc/49/07/34/340490734.db2.gz VVYLRFXKWNXKQN-YESZJQIVSA-N 1 0 308.510 3.639 10 0 DHAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C12CCOCC2 ZINC000186272754 340510379 /nfs/dbraw/zinc/51/03/79/340510379.db2.gz QETROVHOLMKRTN-MOPGFXCFSA-N 1 0 317.473 3.874 10 0 DHAERO CCN(C)c1ccc(C[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)cn1 ZINC000191576676 340555981 /nfs/dbraw/zinc/55/59/81/340555981.db2.gz SFDBJUMYRHTFMA-YWZLYKJASA-N 1 0 309.457 3.869 10 0 DHAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000194032263 340588223 /nfs/dbraw/zinc/58/82/23/340588223.db2.gz IDJDUOSYQJOIDV-HOTGVXAUSA-N 1 0 311.853 3.557 10 0 DHAERO CCCCOC[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000227887545 340604296 /nfs/dbraw/zinc/60/42/96/340604296.db2.gz JVNLVPAVYYPDDJ-DGCLKSJQSA-N 1 0 320.260 3.822 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000250214456 340612600 /nfs/dbraw/zinc/61/26/00/340612600.db2.gz CZZQAFNBBAOMDH-IUODEOHRSA-N 1 0 300.368 3.840 10 0 DHAERO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000123379183 340753299 /nfs/dbraw/zinc/75/32/99/340753299.db2.gz UBOLCJRBOUZCGR-RDTXWAMCSA-N 1 0 309.450 3.542 10 0 DHAERO CC(C)(C)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000062727911 340796019 /nfs/dbraw/zinc/79/60/19/340796019.db2.gz XIZVWWAIGBEPBZ-UHFFFAOYSA-N 1 0 308.166 3.939 10 0 DHAERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000070743002 341008080 /nfs/dbraw/zinc/00/80/80/341008080.db2.gz GJEWOGJVTHWONS-GHMZBOCLSA-N 1 0 317.260 3.805 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000245934874 341318868 /nfs/dbraw/zinc/31/88/68/341318868.db2.gz VLBHYSQDFDNVKT-MOPGFXCFSA-N 1 0 324.424 3.645 10 0 DHAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@H](c2ccccc2)C(C)C)C1 ZINC000247109805 341361119 /nfs/dbraw/zinc/36/11/19/341361119.db2.gz VNQXZNBHCYAPJV-MSOLQXFVSA-N 1 0 317.477 3.509 10 0 DHAERO CC[C@H](C)[C@H](C)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000247479023 341365638 /nfs/dbraw/zinc/36/56/38/341365638.db2.gz UHABKRHPXOOLEC-SOUVJXGZSA-N 1 0 314.433 3.667 10 0 DHAERO C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247744300 341369970 /nfs/dbraw/zinc/36/99/70/341369970.db2.gz OCCXQPWUFBARMU-CRAIPNDOSA-N 1 0 312.461 3.974 10 0 DHAERO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccn1 ZINC000248405160 341376732 /nfs/dbraw/zinc/37/67/32/341376732.db2.gz ANGFFOZOGBDJOQ-HKJQZYRSSA-N 1 0 321.468 3.643 10 0 DHAERO C[C@@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC(C)(C)C1 ZINC000248569236 341380156 /nfs/dbraw/zinc/38/01/56/341380156.db2.gz NZZSVPUYWQFWDO-FGTMMUONSA-N 1 0 320.521 3.783 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](CC)c2ccccc2)C12CCOCC2 ZINC000249004873 341391710 /nfs/dbraw/zinc/39/17/10/341391710.db2.gz NSIOVBRKSWJCLH-NZSAHSFTSA-N 1 0 317.473 3.744 10 0 DHAERO C[C@H](C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)c1ccccc1 ZINC000249058367 341392769 /nfs/dbraw/zinc/39/27/69/341392769.db2.gz ZHCZLXQYTSPVQZ-QUCCMNQESA-N 1 0 323.484 3.639 10 0 DHAERO C[C@@H](C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)c1ccccc1 ZINC000249058365 341392829 /nfs/dbraw/zinc/39/28/29/341392829.db2.gz ZHCZLXQYTSPVQZ-ICSRJNTNSA-N 1 0 323.484 3.639 10 0 DHAERO [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262486907 341522909 /nfs/dbraw/zinc/52/29/09/341522909.db2.gz KMFOMDDKVWVONR-MGPQQGTHSA-N 1 0 320.399 3.521 10 0 DHAERO CC(C)(C)C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000262534373 341524366 /nfs/dbraw/zinc/52/43/66/341524366.db2.gz QDBGRIGDYXSYLM-IAGOWNOFSA-N 1 0 302.462 3.812 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C12CCOCC2 ZINC000185005058 520435066 /nfs/dbraw/zinc/43/50/66/520435066.db2.gz ITNXQHWZIWCCER-RYQLBKOJSA-N 1 0 303.446 3.620 10 0 DHAERO CCC[C@@H](C(=O)Nc1cccc(C2SCCS2)c1)[NH+](C)C ZINC000156838262 520599519 /nfs/dbraw/zinc/59/95/19/520599519.db2.gz LYUCTWZIQANOKP-AWEZNQCLSA-N 1 0 324.515 3.834 10 0 DHAERO CCCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000189962424 521422373 /nfs/dbraw/zinc/42/23/73/521422373.db2.gz DYFJKGBNSDBRDX-INIZCTEOSA-N 1 0 317.477 3.930 10 0 DHAERO CCSc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000156339831 521748669 /nfs/dbraw/zinc/74/86/69/521748669.db2.gz NYXWGWOHMWIYNK-PWSUYJOCSA-N 1 0 312.866 3.908 10 0 DHAERO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)s1 ZINC000163800766 522223022 /nfs/dbraw/zinc/22/30/22/522223022.db2.gz GDWZCSZWUMTCLM-CJNGLKHVSA-N 1 0 317.502 3.967 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1ccc(C)cc1 ZINC000180522220 522724016 /nfs/dbraw/zinc/72/40/16/522724016.db2.gz GGXHFBKQCQQSJO-SJORKVTESA-N 1 0 312.461 3.766 10 0 DHAERO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000246174539 522946820 /nfs/dbraw/zinc/94/68/20/522946820.db2.gz BMUKSABLKXWTSB-OKYOBFRVSA-N 1 0 314.473 3.689 10 0 DHAERO CC[C@@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1ccc(F)cc1 ZINC000172620255 522954050 /nfs/dbraw/zinc/95/40/50/522954050.db2.gz RJLOZCOTKCXGLX-JKSUJKDBSA-N 1 0 316.424 3.596 10 0 DHAERO CN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000226459562 523885314 /nfs/dbraw/zinc/88/53/14/523885314.db2.gz WKNDWYINUJMFHE-NSHDSACASA-N 1 0 316.232 3.599 10 0 DHAERO C[C@H](CC[NH+]1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000193893919 524176154 /nfs/dbraw/zinc/17/61/54/524176154.db2.gz XUPSOHBJHWAUHH-MRXNPFEDSA-N 1 0 310.445 3.547 10 0 DHAERO Cc1cc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c(C)s1 ZINC000180499195 525476455 /nfs/dbraw/zinc/47/64/55/525476455.db2.gz SOTKAUMDZXARGH-OCCSQVGLSA-N 1 0 318.490 3.745 10 0 DHAERO COc1ccc2cc(C[N@@H+]3CC[C@@H](c4cnn(C)c4)C3)ccc2c1 ZINC000128379674 525628236 /nfs/dbraw/zinc/62/82/36/525628236.db2.gz CQHDPQCXUQXZDD-GOSISDBHSA-N 1 0 321.424 3.571 10 0 DHAERO COc1ccc2cc(C[N@@H+]3CC[C@H](c4cnn(C)c4)C3)ccc2c1 ZINC000128379894 525628260 /nfs/dbraw/zinc/62/82/60/525628260.db2.gz CQHDPQCXUQXZDD-SFHVURJKSA-N 1 0 321.424 3.571 10 0 DHAERO C[C@H](CC(=O)N[C@@H](C)c1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000148807083 526244137 /nfs/dbraw/zinc/24/41/37/526244137.db2.gz RQUUJCCNELKROM-RDBSUJKOSA-N 1 0 308.853 3.543 10 0 DHAERO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])c(C)n1C1CCCCC1 ZINC000237685000 526244237 /nfs/dbraw/zinc/24/42/37/526244237.db2.gz BDMRLDDZWOFKBU-KRWDZBQOSA-N 1 0 317.477 3.564 10 0 DHAERO c1coc([C@H]2CCC[N@H+]2CCc2nc(-c3ccccc3)no2)c1 ZINC000158411177 526571612 /nfs/dbraw/zinc/57/16/12/526571612.db2.gz JIBLJOLDUXPOHB-OAHLLOKOSA-N 1 0 309.369 3.709 10 0 DHAERO O=C(N[C@H](c1cccc(Cl)c1)C1CCCC1)C1CC[NH2+]CC1 ZINC000182642706 527005540 /nfs/dbraw/zinc/00/55/40/527005540.db2.gz VXEZXRQZXSUYDZ-KRWDZBQOSA-N 1 0 320.864 3.687 10 0 DHAERO [NH3+][C@@H]1CCCc2nc([C@H]3CCCN3Cc3ccccc3)sc21 ZINC000072207475 527362981 /nfs/dbraw/zinc/36/29/81/527362981.db2.gz NQNBJWRDONXCIW-GDBMZVCRSA-N 1 0 313.470 3.816 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000180132870 527440531 /nfs/dbraw/zinc/44/05/31/527440531.db2.gz HZRXTTPPRVZMIC-AWEZNQCLSA-N 1 0 307.800 3.649 10 0 DHAERO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000180240445 527663086 /nfs/dbraw/zinc/66/30/86/527663086.db2.gz VUJQZKAQYWXFHA-QUCCMNQESA-N 1 0 321.424 3.651 10 0 DHAERO CC(C)COc1ccc([C@H](C)NC(=O)C2([NH3+])CCCCC2)cc1 ZINC000120106413 535235552 /nfs/dbraw/zinc/23/55/52/535235552.db2.gz QKVBUUXRLCJQSP-HNNXBMFYSA-N 1 0 318.461 3.560 10 0 DHAERO CCc1ccc([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1 ZINC000675054494 563861771 /nfs/dbraw/zinc/86/17/71/563861771.db2.gz NSHFBFGHHDRNRD-JKSUJKDBSA-N 1 0 304.434 3.648 10 0 DHAERO Cc1cc(Cl)ccc1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675055127 563869977 /nfs/dbraw/zinc/86/99/77/563869977.db2.gz QDKVVQZJKQYJQH-UKRRQHHQSA-N 1 0 324.852 3.966 10 0 DHAERO CCOc1c(C[NH2+]CC(C)C)cc(Br)cc1OC ZINC000010474868 563357556 /nfs/dbraw/zinc/35/75/56/563357556.db2.gz LNJZTAUZECWJOK-UHFFFAOYSA-N 1 0 316.239 3.602 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@]2(CC1)[NH2+]CCc1ccsc12 ZINC000712526711 563321733 /nfs/dbraw/zinc/32/17/33/563321733.db2.gz UFOMUHNLJKZQQR-QGZVFWFLSA-N 1 0 322.474 3.510 10 0 DHAERO Cc1ccc(COc2ccccc2C[NH2+]CCCCCO)cc1 ZINC000013727222 563388237 /nfs/dbraw/zinc/38/82/37/563388237.db2.gz RDVHQCJAPHBTMF-UHFFFAOYSA-N 1 0 313.441 3.826 10 0 DHAERO CCNc1c(N)c[nH+]c2c(C)cc(OCc3ccccc3)cc12 ZINC000584882310 563421440 /nfs/dbraw/zinc/42/14/40/563421440.db2.gz BEJJCBWHGQPLFY-UHFFFAOYSA-N 1 0 307.397 3.558 10 0 DHAERO C[C@@H]1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000068593007 563495841 /nfs/dbraw/zinc/49/58/41/563495841.db2.gz UCWSKARTULHLTN-UXLLHSPISA-N 1 0 318.461 3.810 10 0 DHAERO Cc1cc(C)cc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675052779 563855926 /nfs/dbraw/zinc/85/59/26/563855926.db2.gz FCLOVKJKIGZFJS-HZPDHXFCSA-N 1 0 304.434 3.621 10 0 DHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccccc1Cl ZINC000675054713 563869479 /nfs/dbraw/zinc/86/94/79/563869479.db2.gz PBLGODCKCCYQRQ-SMDDNHRTSA-N 1 0 310.825 3.739 10 0 DHAERO Cc1ccc([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c(F)c1 ZINC000675055709 563909921 /nfs/dbraw/zinc/90/99/21/563909921.db2.gz WVPOPNAQPLMZAL-SWLSCSKDSA-N 1 0 308.397 3.533 10 0 DHAERO C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685952884 563961389 /nfs/dbraw/zinc/96/13/89/563961389.db2.gz RDGBHAQHFTYIEH-BZUAXINKSA-N 1 0 310.482 3.754 10 0 DHAERO Brc1ccsc1[C@H]1NCCc2sccc21 ZINC000397207397 568415021 /nfs/dbraw/zinc/41/50/21/568415021.db2.gz UZFCZRBXEFNXKR-JTQLQIEISA-N 1 0 300.246 3.807 10 0 DHAERO CCc1cccc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675055380 568420073 /nfs/dbraw/zinc/42/00/73/568420073.db2.gz RRVYRSQLQZONER-JKSUJKDBSA-N 1 0 304.434 3.567 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC(C)(C)CC2)CC1 ZINC000685952392 568422168 /nfs/dbraw/zinc/42/21/68/568422168.db2.gz IZZDTOWDEVWGCR-HNNXBMFYSA-N 1 0 310.482 3.898 10 0 DHAERO COc1ccc([C@H]2C[C@H](C)[N@H+](Cc3c(C)noc3C)C2)cc1 ZINC000076389826 1030789405 /nfs/dbraw/zinc/78/94/05/1030789405.db2.gz JBMRJJWTICQJNE-LRDDRELGSA-N 1 0 300.402 3.678 10 0 DHAERO CC[NH2+]Cc1cnn(-c2ccccc2Cl)c1C(F)(F)F ZINC000082667519 185191993 /nfs/dbraw/zinc/19/19/93/185191993.db2.gz YJARMDKZSIWGSI-UHFFFAOYSA-N 1 0 303.715 3.654 10 0 DHAERO Cc1cc(C[C@@H](C)[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)[nH]n1 ZINC000090531737 185301171 /nfs/dbraw/zinc/30/11/71/185301171.db2.gz LCELWLMLIASSFC-KDOFPFPSSA-N 1 0 313.445 3.769 10 0 DHAERO Cn1nccc1C1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000092810512 185342731 /nfs/dbraw/zinc/34/27/31/185342731.db2.gz MHDZEAYXXLQORR-UHFFFAOYSA-N 1 0 318.490 3.554 10 0 DHAERO [NH3+]C[C@@H](Cc1cccc(F)c1)c1ccc(Br)cc1 ZINC000057750636 190688998 /nfs/dbraw/zinc/68/89/98/190688998.db2.gz XAHLAMBUGXGESZ-CYBMUJFWSA-N 1 0 308.194 3.873 10 0 DHAERO C[C@H]1CN(C(=O)Oc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000073655252 191338385 /nfs/dbraw/zinc/33/83/85/191338385.db2.gz JANPZMRGLPTFBP-LPHOPBHVSA-N 1 0 324.424 3.686 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000236903482 202063998 /nfs/dbraw/zinc/06/39/98/202063998.db2.gz BILCMBPHBFCRLQ-CVEARBPZSA-N 1 0 308.853 3.911 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 ZINC000236951722 202090286 /nfs/dbraw/zinc/09/02/86/202090286.db2.gz XANHIASHONUBAF-INIZCTEOSA-N 1 0 313.401 3.557 10 0 DHAERO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000261508279 203073973 /nfs/dbraw/zinc/07/39/73/203073973.db2.gz QZFCAOGECMVMDZ-MRXNPFEDSA-N 1 0 304.434 3.518 10 0 DHAERO CCOC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093419182 193247829 /nfs/dbraw/zinc/24/78/29/193247829.db2.gz PHCNGFXVNYJSRP-INIZCTEOSA-N 1 0 313.445 3.634 10 0 DHAERO CC(C)[NH+]1CCC2(CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000095088261 193420575 /nfs/dbraw/zinc/42/05/75/193420575.db2.gz AAAFJRYASYERSK-UHFFFAOYSA-N 1 0 316.445 3.520 10 0 DHAERO COc1ccc(CC[NH3+])c(OCc2c(F)cccc2Cl)c1 ZINC000011993191 181722686 /nfs/dbraw/zinc/72/26/86/181722686.db2.gz WCTAOPRKHZYWGY-UHFFFAOYSA-N 1 0 309.768 3.568 10 0 DHAERO CC(C)(C)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000016473472 182045743 /nfs/dbraw/zinc/04/57/43/182045743.db2.gz PGTGXLWIZKRBON-UHFFFAOYSA-N 1 0 308.731 3.685 10 0 DHAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2c(Cl)cccc2Cl)C1 ZINC000019233282 182111151 /nfs/dbraw/zinc/11/11/51/182111151.db2.gz YUHRULRAJJATBG-GYSYKLTISA-N 1 0 301.261 3.971 10 0 DHAERO CCN([C@@H](C[NH3+])c1ccc(Br)o1)C1CCCCC1 ZINC000019259266 182111912 /nfs/dbraw/zinc/11/19/12/182111912.db2.gz RKRIQGUGPHIHJF-LBPRGKRZSA-N 1 0 315.255 3.697 10 0 DHAERO c1ccc(-c2noc3c2C[N@H+](C2Cc4ccccc4C2)CC3)cc1 ZINC000019223361 182108286 /nfs/dbraw/zinc/10/82/86/182108286.db2.gz QNVIPRNBYQXTNF-UHFFFAOYSA-N 1 0 316.404 3.867 10 0 DHAERO CC[NH+](CC)CCCC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000019230882 182109574 /nfs/dbraw/zinc/10/95/74/182109574.db2.gz HVFVRMWGOPTCLP-UHFFFAOYSA-N 1 0 318.248 3.636 10 0 DHAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2c(Cl)cccc2Cl)C1 ZINC000019233284 182110937 /nfs/dbraw/zinc/11/09/37/182110937.db2.gz YUHRULRAJJATBG-MJVIPROJSA-N 1 0 301.261 3.971 10 0 DHAERO CCC[NH+](CCC)[C@@H](CN)c1ccc(F)c(Br)c1 ZINC000019433631 182123173 /nfs/dbraw/zinc/12/31/73/182123173.db2.gz RKTJCFLRKWLGBW-AWEZNQCLSA-N 1 0 317.246 3.710 10 0 DHAERO C[N@H+]([C@H](CN)c1ccc(Br)cc1)C1CCCCC1 ZINC000019441227 182123181 /nfs/dbraw/zinc/12/31/81/182123181.db2.gz RMSZSDIYGDAVCA-OAHLLOKOSA-N 1 0 311.267 3.713 10 0 DHAERO C[N@H+]([C@@H](CN)c1ccc(Br)cc1)C1CCCCC1 ZINC000019441225 182122903 /nfs/dbraw/zinc/12/29/03/182122903.db2.gz RMSZSDIYGDAVCA-HNNXBMFYSA-N 1 0 311.267 3.713 10 0 DHAERO CN(c1ccccc1)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000019423259 182122524 /nfs/dbraw/zinc/12/25/24/182122524.db2.gz FSTXIQCVABVRLL-HNNXBMFYSA-N 1 0 305.219 3.585 10 0 DHAERO COc1ccc([C@H]([NH3+])c2ccccc2Br)cc1OC ZINC000019414575 182122619 /nfs/dbraw/zinc/12/26/19/182122619.db2.gz XLHYSQDGSBUWKE-HNNXBMFYSA-N 1 0 322.202 3.514 10 0 DHAERO CC(C)[C@H]([NH3+])c1cc(Br)ccc1Br ZINC000019969166 182171546 /nfs/dbraw/zinc/17/15/46/182171546.db2.gz LTJILIIZDPYDTH-JTQLQIEISA-N 1 0 307.029 3.867 10 0 DHAERO [NH3+][C@H](c1ccc2c(c1)CCO2)c1cc(F)ccc1Br ZINC000019971012 182171628 /nfs/dbraw/zinc/17/16/28/182171628.db2.gz HRHPPVMPECJQDM-OAHLLOKOSA-N 1 0 322.177 3.571 10 0 DHAERO CC(C)[C@H](CN[C@@H](C)c1ccccc1Br)[NH+](C)C ZINC000020145652 182192112 /nfs/dbraw/zinc/19/21/12/182192112.db2.gz GIOTWZRMDHGGQK-WFASDCNBSA-N 1 0 313.283 3.686 10 0 DHAERO Cc1ccc(OCc2ccc(C(N)=[NH2+])cc2)c(Br)c1 ZINC000020077919 182185175 /nfs/dbraw/zinc/18/51/75/182185175.db2.gz SVECWIPENQTJNH-UHFFFAOYSA-N 1 0 319.202 3.621 10 0 DHAERO CN(CCc1ccccc1)[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000020226295 182198885 /nfs/dbraw/zinc/19/88/85/182198885.db2.gz UXAOHWIIKPLLQT-MRXNPFEDSA-N 1 0 306.812 3.653 10 0 DHAERO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCCCCCC1 ZINC000020265289 182201186 /nfs/dbraw/zinc/20/11/86/182201186.db2.gz ZXEGHMNYKPULTE-OAHLLOKOSA-N 1 0 311.267 3.715 10 0 DHAERO [NH3+]C[C@@H](c1ccc(Br)s1)N1CCCCCCC1 ZINC000020265372 182201324 /nfs/dbraw/zinc/20/13/24/182201324.db2.gz BPXWSFYIJCEJEH-NSHDSACASA-N 1 0 317.296 3.777 10 0 DHAERO [NH3+]CCNc1ncnc2scc(-c3ccc4c(c3)CCCC4)c21 ZINC000020323474 182206748 /nfs/dbraw/zinc/20/67/48/182206748.db2.gz GJLIYESRJSPMCB-UHFFFAOYSA-N 1 0 324.453 3.608 10 0 DHAERO CC(C)(C)[C@@H]1CCc2c(sc3ncnc(NCCC[NH3+])c32)C1 ZINC000020323040 182206759 /nfs/dbraw/zinc/20/67/59/182206759.db2.gz ONGUUUFETYDXDM-LLVKDONJSA-N 1 0 318.490 3.603 10 0 DHAERO COc1ccc(F)cc1[C@H]([NH3+])c1ccccc1Br ZINC000020470574 182221492 /nfs/dbraw/zinc/22/14/92/182221492.db2.gz OUQRZDXQJMXOGC-CQSZACIVSA-N 1 0 310.166 3.645 10 0 DHAERO COc1ccc([C@H]([NH3+])Cc2ccccc2)cc1Br ZINC000020522289 182227150 /nfs/dbraw/zinc/22/71/50/182227150.db2.gz ZWUIIPSLWHRUDI-CQSZACIVSA-N 1 0 306.203 3.700 10 0 DHAERO Cc1cc(Br)ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523836 182227182 /nfs/dbraw/zinc/22/71/82/182227182.db2.gz MRSXDHHPGPSDMF-AGUYFDCRSA-N 1 0 309.251 3.795 10 0 DHAERO CCN(Cc1ccncc1)[C@@H]1CCC[N@H+](C/C=C/C(C)C)C1 ZINC000020918335 182253552 /nfs/dbraw/zinc/25/35/52/182253552.db2.gz QTLQRGXCSQZFPI-WSSFADSRSA-N 1 0 301.478 3.580 10 0 DHAERO CCN(Cc1ccncc1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000022851426 182336871 /nfs/dbraw/zinc/33/68/71/182336871.db2.gz GVHXIMDYAAVWOH-NRFANRHFSA-N 1 0 323.484 3.611 10 0 DHAERO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000023430263 182360495 /nfs/dbraw/zinc/36/04/95/182360495.db2.gz FMAUIMHXRDEVCQ-INIZCTEOSA-N 1 0 318.461 3.639 10 0 DHAERO C[C@@H](Nc1cc(Br)ccc1F)C1CC[NH+](C)CC1 ZINC000036750520 182840167 /nfs/dbraw/zinc/84/01/67/182840167.db2.gz TUBRSXLWAXDTSN-SNVBAGLBSA-N 1 0 315.230 3.730 10 0 DHAERO [NH3+]CCc1ccc(OCc2ccc(Br)cc2F)cc1 ZINC000037720413 182919894 /nfs/dbraw/zinc/91/98/94/182919894.db2.gz SLGBCTRKFRQJLH-UHFFFAOYSA-N 1 0 324.193 3.668 10 0 DHAERO C[C@@H]([NH3+])Cc1cc(Cl)cc(Cl)c1OCc1cscn1 ZINC000037728959 182921118 /nfs/dbraw/zinc/92/11/18/182921118.db2.gz PPOZGBAGVABWBO-MRVPVSSYSA-N 1 0 317.241 3.919 10 0 DHAERO Fc1ccc(C(OC2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000039397323 183018798 /nfs/dbraw/zinc/01/87/98/183018798.db2.gz YXLZFPAMMNOHJR-UHFFFAOYSA-N 1 0 303.352 3.823 10 0 DHAERO CC1CCN([C@H](C[NH3+])c2ccc(OCc3ccccc3)cc2)CC1 ZINC000039789208 183021687 /nfs/dbraw/zinc/02/16/87/183021687.db2.gz UYOAZIWOIRHNSA-OAQYLSRUSA-N 1 0 324.468 3.997 10 0 DHAERO CCc1nc2cc(C(F)(F)F)ccc2n1CC[NH+](CC)CC ZINC000040405332 183062535 /nfs/dbraw/zinc/06/25/35/183062535.db2.gz PPHBSQFVWMQIDC-UHFFFAOYSA-N 1 0 313.367 3.959 10 0 DHAERO [NH3+]C[C@@H](Cc1ccccc1)Cc1cccc(Br)c1 ZINC000041528860 183197963 /nfs/dbraw/zinc/19/79/63/183197963.db2.gz GMIMVYBHNWHFTJ-HNNXBMFYSA-N 1 0 304.231 3.809 10 0 DHAERO Brc1ccccc1OCC[NH2+]CC1CCCCC1 ZINC000041563149 183202810 /nfs/dbraw/zinc/20/28/10/183202810.db2.gz QHMVIQUCAQXAHK-UHFFFAOYSA-N 1 0 312.251 3.998 10 0 DHAERO CCC(CC)[C@H](C[NH3+])N(C)Cc1cc(Br)cs1 ZINC000042398488 183264380 /nfs/dbraw/zinc/26/43/80/183264380.db2.gz JJFIDXSPICGVSO-ZDUSSCGKSA-N 1 0 319.312 3.706 10 0 DHAERO CN(CC1CCCCC1)c1cc(Br)ccc1C[NH3+] ZINC000042493944 183277323 /nfs/dbraw/zinc/27/73/23/183277323.db2.gz LFZXWEQLDJCMBG-UHFFFAOYSA-N 1 0 311.267 3.924 10 0 DHAERO CC(C)C[N@H+]([C@H](CN)c1ccc(Br)cc1)C1CC1 ZINC000042555918 183284681 /nfs/dbraw/zinc/28/46/81/183284681.db2.gz MCKZAHZXPGESAM-OAHLLOKOSA-N 1 0 311.267 3.569 10 0 DHAERO CC(C)N(CC1CC1)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000042580501 183286148 /nfs/dbraw/zinc/28/61/48/183286148.db2.gz AGQQATWFUOGEBR-LLVKDONJSA-N 1 0 317.296 3.631 10 0 DHAERO CC(C)C[N@H+](C(C)C)[C@@H](CN)c1ccc(Br)s1 ZINC000042579773 183286353 /nfs/dbraw/zinc/28/63/53/183286353.db2.gz RERQRTIWAJHMRR-NSHDSACASA-N 1 0 319.312 3.877 10 0 DHAERO CC[C@H]([NH2+]Cc1cc2c(cc1Br)OCO2)C(C)C ZINC000042585676 183287476 /nfs/dbraw/zinc/28/74/76/183287476.db2.gz OIAJLFOOOKYBDY-LBPRGKRZSA-N 1 0 314.223 3.702 10 0 DHAERO CC[C@H]([NH2+]Cc1cc(Br)c(O)c(OC)c1)C(C)C ZINC000042584665 183287611 /nfs/dbraw/zinc/28/76/11/183287611.db2.gz YDLJTRLGEFHZAK-LBPRGKRZSA-N 1 0 316.239 3.688 10 0 DHAERO CC[C@H]([NH2+]Cc1cc(Br)ccc1OC)C(C)C ZINC000042585503 183287704 /nfs/dbraw/zinc/28/77/04/183287704.db2.gz KLFTWCLKVZTXNP-ZDUSSCGKSA-N 1 0 300.240 3.982 10 0 DHAERO C[C@@H](N[C@@H](C)C[NH+]1CCCC1)c1ccccc1Br ZINC000042597533 183289738 /nfs/dbraw/zinc/28/97/38/183289738.db2.gz JERUTYQBGQDATQ-QWHCGFSZSA-N 1 0 311.267 3.584 10 0 DHAERO C[C@H](N(C)[C@@H](C[NH3+])c1ccccc1Br)C(C)(C)C ZINC000042741963 183304227 /nfs/dbraw/zinc/30/42/27/183304227.db2.gz WMJZLPGUEZVBSZ-FZMZJTMJSA-N 1 0 313.283 3.815 10 0 DHAERO C[C@H](N(C)[C@@H](C[NH3+])c1cc(Br)cs1)C(C)(C)C ZINC000042742040 183304609 /nfs/dbraw/zinc/30/46/09/183304609.db2.gz RIVCVJGHXWZIQJ-ONGXEEELSA-N 1 0 319.312 3.877 10 0 DHAERO C[C@@H](N(C)[C@@H](C[NH3+])c1ccccc1Br)C(C)(C)C ZINC000042741966 183304662 /nfs/dbraw/zinc/30/46/62/183304662.db2.gz WMJZLPGUEZVBSZ-RISCZKNCSA-N 1 0 313.283 3.815 10 0 DHAERO CCCC[N@H+](CC)[C@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952516 183320770 /nfs/dbraw/zinc/32/07/70/183320770.db2.gz IMVLECWXZUWXTH-DOMZBBRYSA-N 1 0 313.283 3.959 10 0 DHAERO CC[C@@H](N)[C@H](c1ccc(Br)cc1)[N@H+](CC)C(C)C ZINC000042952821 183321739 /nfs/dbraw/zinc/32/17/39/183321739.db2.gz PKPDXXYATVWTEE-CABCVRRESA-N 1 0 313.283 3.958 10 0 DHAERO CC[N@H+](CC(C)C)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952930 183322071 /nfs/dbraw/zinc/32/20/71/183322071.db2.gz ZQVHUXGEWYTMRL-IUODEOHRSA-N 1 0 313.283 3.815 10 0 DHAERO COc1ccc([C@@H](C[NH3+])Oc2cccc(Br)c2)cc1 ZINC000042962794 183324107 /nfs/dbraw/zinc/32/41/07/183324107.db2.gz BQWUNOQSFXZIRL-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO Cc1cccc([C@@H](C[NH3+])Oc2ccccc2Br)c1 ZINC000042968699 183324133 /nfs/dbraw/zinc/32/41/33/183324133.db2.gz ZUCDJKICLJITTC-OAHLLOKOSA-N 1 0 306.203 3.836 10 0 DHAERO COc1ccc([C@H](C[NH3+])Oc2ccc(Br)cc2)cc1 ZINC000042962660 183324438 /nfs/dbraw/zinc/32/44/38/183324438.db2.gz QPWXHVWDYCNHGE-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO Cc1cccc([C@H](C[NH3+])Oc2ccc(Br)cc2F)c1 ZINC000042968872 183324594 /nfs/dbraw/zinc/32/45/94/183324594.db2.gz FSTVCSZZSXTPKK-HNNXBMFYSA-N 1 0 324.193 3.975 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCC(C)CC1 ZINC000043019778 183328603 /nfs/dbraw/zinc/32/86/03/183328603.db2.gz MIFKHFGSDFCFCS-DOMZBBRYSA-N 1 0 311.267 3.569 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(CC)C1CC1 ZINC000043020299 183329168 /nfs/dbraw/zinc/32/91/68/183329168.db2.gz DMKBRCXWHYYRSK-GJZGRUSLSA-N 1 0 311.267 3.712 10 0 DHAERO CCc1nccn1[C@H](c1cccc(Br)c1)[C@@H]([NH3+])CC ZINC000043022275 183329860 /nfs/dbraw/zinc/32/98/60/183329860.db2.gz PEZRNONFRUVMAE-DZGCQCFKSA-N 1 0 322.250 3.535 10 0 DHAERO COc1cccc([C@H](C[NH3+])Oc2cccc(Br)c2)c1 ZINC000043029595 183331104 /nfs/dbraw/zinc/33/11/04/183331104.db2.gz NDJFFOLRBMEVDL-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO Cc1ccccc1[C@H](C[NH3+])Oc1cccc(Br)c1 ZINC000043038740 183331760 /nfs/dbraw/zinc/33/17/60/183331760.db2.gz ZXWTVNRAOTZHQV-HNNXBMFYSA-N 1 0 306.203 3.836 10 0 DHAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1)c1ccccc1Br ZINC000043094347 183336862 /nfs/dbraw/zinc/33/68/62/183336862.db2.gz MJOJLCXNLPIRAO-ABAIWWIYSA-N 1 0 306.203 3.916 10 0 DHAERO COc1cccc(O[C@H](C[NH3+])c2ccccc2Br)c1 ZINC000043094162 183336910 /nfs/dbraw/zinc/33/69/10/183336910.db2.gz ZIHUWHMBIOEGBO-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO CC(C)CCO[C@@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043094592 183337400 /nfs/dbraw/zinc/33/74/00/183337400.db2.gz YNVZUIMDBYICJJ-SMDDNHRTSA-N 1 0 300.240 3.900 10 0 DHAERO CC[C@H]([NH3+])[C@@H](SCCOC)c1ccccc1Br ZINC000043096234 183337420 /nfs/dbraw/zinc/33/74/20/183337420.db2.gz UWDZRPGPRUNBPX-STQMWFEESA-N 1 0 318.280 3.607 10 0 DHAERO CC(C)CCCO[C@H](C[NH3+])c1ccccc1Br ZINC000043095071 183337426 /nfs/dbraw/zinc/33/74/26/183337426.db2.gz IDUQUHRKTFQQHK-CQSZACIVSA-N 1 0 300.240 3.902 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)c1 ZINC000105900887 194164205 /nfs/dbraw/zinc/16/42/05/194164205.db2.gz HVJLWYJLDMGOPM-GOSISDBHSA-N 1 0 306.413 3.577 10 0 DHAERO COc1ccc(C[C@@]2([NH3+])CCCC[C@H]2C)cc1Br ZINC000049597847 183746140 /nfs/dbraw/zinc/74/61/40/183746140.db2.gz XJIMRMYDVRYEJU-ABAIWWIYSA-N 1 0 312.251 3.908 10 0 DHAERO CC[C@H](C)[C@@](C)([NH3+])Cc1cc(Br)ccc1OC ZINC000049598034 183746394 /nfs/dbraw/zinc/74/63/94/183746394.db2.gz QJPZRHUXYYLUOD-HZMBPMFUSA-N 1 0 300.240 3.764 10 0 DHAERO CC[NH2+][C@H](Cc1ccc(Br)s1)c1ccccn1 ZINC000053821631 183913466 /nfs/dbraw/zinc/91/34/66/183913466.db2.gz PANVUCYCZREVCO-GFCCVEGCSA-N 1 0 311.248 3.799 10 0 DHAERO CC[NH2+]C[C@H](C)c1nc2cc(Br)ccc2n1C1CC1 ZINC000061219290 184166123 /nfs/dbraw/zinc/16/61/23/184166123.db2.gz JTQKQYYZGLZYFN-JTQLQIEISA-N 1 0 322.250 3.847 10 0 DHAERO CC[NH2+]C[C@@H](C)c1nc2cc(Br)ccc2n1CC ZINC000061219263 184166289 /nfs/dbraw/zinc/16/62/89/184166289.db2.gz CSRGDGCUVBYQRT-SNVBAGLBSA-N 1 0 310.239 3.532 10 0 DHAERO CCCCOCCOc1ccc([C@@H](C)[NH3+])cc1Br ZINC000061699227 184183782 /nfs/dbraw/zinc/18/37/82/184183782.db2.gz NIFYOZZWMKOCEO-LLVKDONJSA-N 1 0 316.239 3.664 10 0 DHAERO [NH3+][C@H](c1ccc(Br)s1)c1ccc2c(c1)COC2 ZINC000062331894 184230947 /nfs/dbraw/zinc/23/09/47/184230947.db2.gz QDRTZRCLFZWMSE-ZDUSSCGKSA-N 1 0 310.216 3.589 10 0 DHAERO C[C@@H](O)COc1c(Cl)cc(Cl)cc1C[NH2+]C(C)(C)C ZINC000062732883 184251194 /nfs/dbraw/zinc/25/11/94/184251194.db2.gz GFOQZRPSEHELMF-SECBINFHSA-N 1 0 306.233 3.641 10 0 DHAERO Cc1nccn1-c1cc(Br)ccc1C[NH2+]CC(C)C ZINC000062738601 184251879 /nfs/dbraw/zinc/25/18/79/184251879.db2.gz PHLGGGVKKBTHSX-UHFFFAOYSA-N 1 0 322.250 3.689 10 0 DHAERO Cc1cc(Br)ccc1O[C@H](c1ccccn1)[C@H](C)[NH3+] ZINC000063061712 184268721 /nfs/dbraw/zinc/26/87/21/184268721.db2.gz NYAGUQZOASQCFI-NHYWBVRUSA-N 1 0 321.218 3.620 10 0 DHAERO CCCC[NH2+]C[C@H](C)Oc1ccc(Br)cc1C ZINC000063062701 184269185 /nfs/dbraw/zinc/26/91/85/184269185.db2.gz WJPTXIUGYBHZNZ-LBPRGKRZSA-N 1 0 300.240 3.915 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCCC1(C)C ZINC000063065778 184269304 /nfs/dbraw/zinc/26/93/04/184269304.db2.gz JKFBQIHLNHRHAT-BXKDBHETSA-N 1 0 317.296 3.773 10 0 DHAERO C[NH+](C)[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 ZINC000503716544 257209490 /nfs/dbraw/zinc/20/94/90/257209490.db2.gz GVWQHTDXXGHFEL-SLFFLAALSA-N 1 0 310.416 3.658 10 0 DHAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000120428146 132142079 /nfs/dbraw/zinc/14/20/79/132142079.db2.gz BOSUYKPELBRRED-UGSOOPFHSA-N 1 0 304.384 3.918 10 0 DHAERO CC[NH+](CC)[C@@H](C)CNCc1ccc(CSC(F)F)o1 ZINC000120577198 132149020 /nfs/dbraw/zinc/14/90/20/132149020.db2.gz YTOAYYIYMURLMR-NSHDSACASA-N 1 0 306.422 3.555 10 0 DHAERO Cc1ccc([C@@H]([NH2+]CCCC(=O)N(C)C)c2ccccc2)c(C)c1 ZINC000180300080 331565575 /nfs/dbraw/zinc/56/55/75/331565575.db2.gz RCLDZWKXYRKBDF-NRFANRHFSA-N 1 0 324.468 3.851 10 0 DHAERO CC[C@H]([NH2+]Cc1cc2c(c(OC)c1)OCO2)c1cccs1 ZINC000077507220 331674101 /nfs/dbraw/zinc/67/41/01/331674101.db2.gz YMIRERFMYUFEBY-LBPRGKRZSA-N 1 0 305.399 3.726 10 0 DHAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000261720701 331824957 /nfs/dbraw/zinc/82/49/57/331824957.db2.gz LWMZKQQEMNYREE-MAUKXSAKSA-N 1 0 308.425 3.604 10 0 DHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nc(C(C)C)nn3C1)[C@@H](C)C2 ZINC000180858245 332139818 /nfs/dbraw/zinc/13/98/18/332139818.db2.gz MRSYEDVTBOVPGY-ZSZQSSIHSA-N 1 0 324.472 3.548 10 0 DHAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000261663688 335095702 /nfs/dbraw/zinc/09/57/02/335095702.db2.gz GMNPJNSONUBYGC-GDBMZVCRSA-N 1 0 310.397 3.806 10 0 DHAERO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000262107397 332272996 /nfs/dbraw/zinc/27/29/96/332272996.db2.gz JLYRVORWPNCMLA-ZDUSSCGKSA-N 1 0 316.832 3.593 10 0 DHAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000261604950 332293935 /nfs/dbraw/zinc/29/39/35/332293935.db2.gz CQTNBGUDFRCDDY-DVOMOZLQSA-N 1 0 313.388 3.766 10 0 DHAERO CC1(C)CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC[C@H]1[NH3+] ZINC000261853130 332557055 /nfs/dbraw/zinc/55/70/55/332557055.db2.gz JRMPAGRDKSECSU-SYQJFKEFSA-N 1 0 318.505 3.569 10 0 DHAERO Cc1ccc(O)c(C[NH2+][C@H](C)c2cccc(Br)c2)n1 ZINC000103341490 332968726 /nfs/dbraw/zinc/96/87/26/332968726.db2.gz OLIDLIVLGCAVJY-LLVKDONJSA-N 1 0 321.218 3.709 10 0 DHAERO C[C@@H]([NH2+]CCOc1cc(Cl)cc(Cl)c1)[C@H]1CCCO1 ZINC000053588903 332983832 /nfs/dbraw/zinc/98/38/32/332983832.db2.gz HKYPLMXGKQEQQZ-QMTHXVAHSA-N 1 0 304.217 3.529 10 0 DHAERO C[C@@H]1CC(C[NH2+]Cc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000466412361 333019151 /nfs/dbraw/zinc/01/91/51/333019151.db2.gz OXSWSAWVEGDLKC-VXGBXAGGSA-N 1 0 312.251 3.742 10 0 DHAERO C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccn1 ZINC000180156793 333026988 /nfs/dbraw/zinc/02/69/88/333026988.db2.gz ANGFFOZOGBDJOQ-MCNSAMFCSA-N 1 0 321.468 3.643 10 0 DHAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000111266437 333063645 /nfs/dbraw/zinc/06/36/45/333063645.db2.gz CNXUFGJDNSOGCQ-MLGOLLRUSA-N 1 0 304.459 3.515 10 0 DHAERO CCn1nc(C[NH2+][C@@H](C)COCc2ccccc2)c2ccccc21 ZINC000390642425 333310122 /nfs/dbraw/zinc/31/01/22/333310122.db2.gz LVBPQFDINVOAHB-INIZCTEOSA-N 1 0 323.440 3.751 10 0 DHAERO C[C@@H]([NH2+]CCOc1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000047943841 333421302 /nfs/dbraw/zinc/42/13/02/333421302.db2.gz CUKZNNCBABMMJD-MFKMUULPSA-N 1 0 304.217 3.529 10 0 DHAERO C[C@H]([NH3+])[C@@H]1CCCCN1CCOc1c(Cl)cccc1Cl ZINC000063195680 333446525 /nfs/dbraw/zinc/44/65/25/333446525.db2.gz OYKVYUPIEAFBAT-FZMZJTMJSA-N 1 0 317.260 3.574 10 0 DHAERO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049129439 334315047 /nfs/dbraw/zinc/31/50/47/334315047.db2.gz IZKVVBLBHDEOAQ-GHMZBOCLSA-N 1 0 302.871 3.603 10 0 DHAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049129416 334315051 /nfs/dbraw/zinc/31/50/51/334315051.db2.gz BERMTUZZEMQPKG-GHMZBOCLSA-N 1 0 302.871 3.747 10 0 DHAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)N1CCCCCC1 ZINC000049129493 334315133 /nfs/dbraw/zinc/31/51/33/334315133.db2.gz GYWMXOXSTCPSSW-RYUDHWBXSA-N 1 0 314.882 3.843 10 0 DHAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccc(Cl)s1 ZINC000049129551 334315282 /nfs/dbraw/zinc/31/52/82/334315282.db2.gz LZYCCIYMQZVGGQ-VIFPVBQESA-N 1 0 312.797 3.830 10 0 DHAERO Cc1ccccc1[C@H](C)[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000101586612 334333366 /nfs/dbraw/zinc/33/33/66/334333366.db2.gz ZXEUGGULMPBHRR-AWEZNQCLSA-N 1 0 300.377 3.814 10 0 DHAERO C[C@@H]([NH2+]CCc1cnn(C)c1)c1c(Cl)ccc(F)c1Cl ZINC000148786032 334510034 /nfs/dbraw/zinc/51/00/34/334510034.db2.gz DSBKNBIDVOHOIH-SECBINFHSA-N 1 0 316.207 3.759 10 0 DHAERO COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CCOc3ccccc31)C2 ZINC000192437925 336032319 /nfs/dbraw/zinc/03/23/19/336032319.db2.gz JEIKRXNGENPVHU-CRAIPNDOSA-N 1 0 309.409 3.666 10 0 DHAERO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000395232133 336046411 /nfs/dbraw/zinc/04/64/11/336046411.db2.gz QGCIVEFXGAAVPT-HUUCEWRRSA-N 1 0 312.251 3.541 10 0 DHAERO c1cnn(CC2CC[NH+](CCSCc3ccccc3)CC2)c1 ZINC000192577053 336157157 /nfs/dbraw/zinc/15/71/57/336157157.db2.gz CUQRSANSIAABPH-UHFFFAOYSA-N 1 0 315.486 3.529 10 0 DHAERO CC1(C)CN(C(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000333840139 336210760 /nfs/dbraw/zinc/21/07/60/336210760.db2.gz OBUFIYIDTBKGCZ-CQSZACIVSA-N 1 0 321.490 3.502 10 0 DHAERO C[C@@H]([NH2+]CCC(C)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000379180798 336258680 /nfs/dbraw/zinc/25/86/80/336258680.db2.gz PAJATNUZYKEWGP-OLZOCXBDSA-N 1 0 320.424 3.657 10 0 DHAERO CC(C)C(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000192840123 336265527 /nfs/dbraw/zinc/26/55/27/336265527.db2.gz NMZYQXWZYKGKKH-IRXDYDNUSA-N 1 0 308.510 3.828 10 0 DHAERO Cc1nc(Cl)cc(N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000301197452 336294440 /nfs/dbraw/zinc/29/44/40/336294440.db2.gz KYVKBUMBTKOQSN-CYBMUJFWSA-N 1 0 308.857 3.647 10 0 DHAERO Cc1cc(N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c2cc(F)ccc2[nH+]1 ZINC000301672994 336322478 /nfs/dbraw/zinc/32/24/78/336322478.db2.gz OQFXCUBWHFIZRQ-FSPWUOQZSA-N 1 0 314.404 3.932 10 0 DHAERO Cc1cc(N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c2cccc(F)c2n1 ZINC000301680937 336323096 /nfs/dbraw/zinc/32/30/96/336323096.db2.gz RWVFBQXWYMYELI-VHSSKADRSA-N 1 0 314.404 3.932 10 0 DHAERO CCC[N@@H+]1CCCN(c2cc(C)nc3c(F)cccc23)CC1 ZINC000301696468 336324068 /nfs/dbraw/zinc/32/40/68/336324068.db2.gz ZCCSKZCFERWLSF-UHFFFAOYSA-N 1 0 301.409 3.604 10 0 DHAERO Cc1cccc2c(N3CC[C@H](Oc4cccnc4)C3)cc[nH+]c12 ZINC000301730569 336326199 /nfs/dbraw/zinc/32/61/99/336326199.db2.gz XIVFEKDBOKYTHD-INIZCTEOSA-N 1 0 305.381 3.596 10 0 DHAERO CCS[C@H]1CC[C@]1(O)CNc1cc(CC)[nH+]c2ccccc12 ZINC000301793256 336330283 /nfs/dbraw/zinc/33/02/83/336330283.db2.gz OMOJBYIDCZSMIW-ROUUACIJSA-N 1 0 316.470 3.856 10 0 DHAERO CCOc1cc(C[NH2+][C@H]2C[C@@H]2C)ccc1OCC(F)(F)F ZINC000105437152 336387499 /nfs/dbraw/zinc/38/74/99/336387499.db2.gz CDHDRCQWNHPNCT-JQWIXIFHSA-N 1 0 303.324 3.524 10 0 DHAERO CC(C)COc1ccc([C@H](C)[NH2+]CCO[C@@H]2CCCCO2)cc1 ZINC000193091583 336396746 /nfs/dbraw/zinc/39/67/46/336396746.db2.gz HCQUWNDIWIMRBX-QFBILLFUSA-N 1 0 321.461 3.915 10 0 DHAERO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2C)sc1C ZINC000119224193 336883189 /nfs/dbraw/zinc/88/31/89/336883189.db2.gz ZXFRUFPNHMSUKI-CHWSQXEVSA-N 1 0 317.458 3.746 10 0 DHAERO COc1c(C)cc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1C ZINC000123012222 337034000 /nfs/dbraw/zinc/03/40/00/337034000.db2.gz UWMLQMXLNLZOGL-SFHVURJKSA-N 1 0 313.445 3.654 10 0 DHAERO CC(C)Oc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000171037531 337086516 /nfs/dbraw/zinc/08/65/16/337086516.db2.gz LAKDSFGKFFVYME-UHFFFAOYSA-N 1 0 313.445 3.587 10 0 DHAERO C[NH+](C)C[C@@H](NC(=O)Nc1cccc2[nH]ccc21)c1ccccc1 ZINC000171397616 337086533 /nfs/dbraw/zinc/08/65/33/337086533.db2.gz UAWVYGVCSXGVTF-GOSISDBHSA-N 1 0 322.412 3.592 10 0 DHAERO C[NH+](C)C[C@H](NC(=O)Nc1cccc2[nH]ccc21)c1ccccc1 ZINC000171397612 337086590 /nfs/dbraw/zinc/08/65/90/337086590.db2.gz UAWVYGVCSXGVTF-SFHVURJKSA-N 1 0 322.412 3.592 10 0 DHAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1cccc(Cl)c1)CC2 ZINC000173397329 337135075 /nfs/dbraw/zinc/13/50/75/337135075.db2.gz UONZMYDFQWOZPY-HUUCEWRRSA-N 1 0 318.852 3.550 10 0 DHAERO Cc1csc([C@@H]2CCC[N@H+](Cc3ccncc3Cl)C2)n1 ZINC000173757856 337136002 /nfs/dbraw/zinc/13/60/02/337136002.db2.gz SJILKAYCKPFHCY-CYBMUJFWSA-N 1 0 307.850 3.880 10 0 DHAERO CC[C@@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccc(C)cc1 ZINC000176154810 337150625 /nfs/dbraw/zinc/15/06/25/337150625.db2.gz KGHAGWJCTMFKTJ-QZTJIDSGSA-N 1 0 317.477 3.572 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000178312384 337163823 /nfs/dbraw/zinc/16/38/23/337163823.db2.gz TYUHYSGYKVAWIX-OAHLLOKOSA-N 1 0 323.362 3.875 10 0 DHAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2cnn(C(C)C)c2)C12CCCC2 ZINC000179863469 337172355 /nfs/dbraw/zinc/17/23/55/337172355.db2.gz LOBWWFYASRHYEH-IRXDYDNUSA-N 1 0 305.466 3.634 10 0 DHAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC(C)C)c1cccs1)CC2 ZINC000180616470 337176606 /nfs/dbraw/zinc/17/66/06/337176606.db2.gz CNHIVGSFAIDBOR-UONOGXRCSA-N 1 0 318.490 3.594 10 0 DHAERO CC(C)CCC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000180606544 337176623 /nfs/dbraw/zinc/17/66/23/337176623.db2.gz MMMHALNWHNNUFQ-QZTJIDSGSA-N 1 0 312.461 3.750 10 0 DHAERO CC[C@@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1cccs1 ZINC000180635130 337176827 /nfs/dbraw/zinc/17/68/27/337176827.db2.gz AMCPSHXMVATZTG-QWHCGFSZSA-N 1 0 304.463 3.519 10 0 DHAERO C[C@@H]1C[C@@H](C(=O)Nc2cc(C[NH+](C)C)ccn2)CC(C)(C)C1 ZINC000180930584 337178684 /nfs/dbraw/zinc/17/86/84/337178684.db2.gz ZYXZQKFFBSCFOC-UKRRQHHQSA-N 1 0 303.450 3.544 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181101697 337179933 /nfs/dbraw/zinc/17/99/33/337179933.db2.gz DOTHRXKMTYIKNV-GJZGRUSLSA-N 1 0 324.428 3.985 10 0 DHAERO c1ccc2c(c1)OC1(CCCC1)C[C@H]2[NH2+][C@@H]1CCCOCC1 ZINC000181370440 337181664 /nfs/dbraw/zinc/18/16/64/337181664.db2.gz GGVGSEAYIILVGL-NVXWUHKLSA-N 1 0 301.430 3.982 10 0 DHAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000182062285 337186140 /nfs/dbraw/zinc/18/61/40/337186140.db2.gz LKXMXVYCMRKCAP-ACJLOTCBSA-N 1 0 315.388 3.966 10 0 DHAERO Cc1cc(N2C[C@H](CO)[C@H](c3ccsc3)C2)c2ccccc2[nH+]1 ZINC000186149407 337253924 /nfs/dbraw/zinc/25/39/24/337253924.db2.gz JFFADKWYBCFRDO-WBVHZDCISA-N 1 0 324.449 3.817 10 0 DHAERO CCn1ccnc1CSCc1nc(-c2ccccc2F)no1 ZINC000187852047 337268529 /nfs/dbraw/zinc/26/85/29/337268529.db2.gz FMOKTEGZRSWOBJ-UHFFFAOYSA-N 1 0 318.377 3.526 10 0 DHAERO COc1cccc([C@H](C)[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)c1 ZINC000188089060 337270409 /nfs/dbraw/zinc/27/04/09/337270409.db2.gz KFTQSHRSZQNULL-XCRHUMRWSA-N 1 0 317.454 3.526 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1cccc(F)c1 ZINC000188342420 337272042 /nfs/dbraw/zinc/27/20/42/337272042.db2.gz QCIYFGCNFSHVRZ-CVEARBPZSA-N 1 0 316.424 3.596 10 0 DHAERO Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)cc1C ZINC000190289459 337286386 /nfs/dbraw/zinc/28/63/86/337286386.db2.gz JBHVJSQNGPIVNE-MSOLQXFVSA-N 1 0 301.455 3.573 10 0 DHAERO Cc1csc([C@H]2CCC[N@H+](C[C@H](O)C3CCCCC3)C2)n1 ZINC000191321614 337295932 /nfs/dbraw/zinc/29/59/32/337295932.db2.gz FVMDUTVFVVQKPK-HOTGVXAUSA-N 1 0 308.491 3.572 10 0 DHAERO COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000192058437 337302204 /nfs/dbraw/zinc/30/22/04/337302204.db2.gz SJMQLTXHSMWJEA-OAHLLOKOSA-N 1 0 319.836 3.518 10 0 DHAERO CNc1ccc(Br)cc1[C@H]1[NH2+]CCc2ccccc21 ZINC000584592911 337373592 /nfs/dbraw/zinc/37/35/92/337373592.db2.gz ASSWTFDJKFXUSR-INIZCTEOSA-N 1 0 317.230 3.726 10 0 DHAERO Cc1cccc(NC(=S)NCCC[NH2+]C2CCCCC2)c1 ZINC000584650584 337380757 /nfs/dbraw/zinc/38/07/57/337380757.db2.gz UUYUZZAWXSMBQN-UHFFFAOYSA-N 1 0 305.491 3.594 10 0 DHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000105895457 337386907 /nfs/dbraw/zinc/38/69/07/337386907.db2.gz SGBQFBZTCQJGIV-GOSISDBHSA-N 1 0 320.440 3.922 10 0 DHAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000245940821 337499462 /nfs/dbraw/zinc/49/94/62/337499462.db2.gz UWJDCXVFDLVCFO-RDBSUJKOSA-N 1 0 304.459 3.947 10 0 DHAERO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246793911 337555054 /nfs/dbraw/zinc/55/50/54/337555054.db2.gz QTWPSEXSWLAFFK-YTQUADARSA-N 1 0 318.505 3.537 10 0 DHAERO Cc1csc(C2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)n1 ZINC000075828879 337560025 /nfs/dbraw/zinc/56/00/25/337560025.db2.gz UMADHHCUOICFHB-SFHVURJKSA-N 1 0 316.470 3.539 10 0 DHAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249200970 337570041 /nfs/dbraw/zinc/57/00/41/337570041.db2.gz SUKDSGJMKMAGKX-BZSNNMDCSA-N 1 0 324.472 3.676 10 0 DHAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249210530 337570072 /nfs/dbraw/zinc/57/00/72/337570072.db2.gz XSKDJZNTKNBIKV-UWVAXJGDSA-N 1 0 324.472 3.775 10 0 DHAERO FC(F)(F)[C@]1(c2ccccc2)CCCN1C[C@H]1CCC[NH2+]C1 ZINC000261970131 337613427 /nfs/dbraw/zinc/61/34/27/337613427.db2.gz QFINDGBNUVUBPG-GOEBONIOSA-N 1 0 312.379 3.540 10 0 DHAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CC3(CCCC3)c3c2cccc3F)C1 ZINC000262615551 337619848 /nfs/dbraw/zinc/61/98/48/337619848.db2.gz LNEDEFNJWYYUIG-KBPBESRZSA-N 1 0 316.420 3.502 10 0 DHAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(Cl)c2)C12CCOCC2 ZINC000195450424 338900317 /nfs/dbraw/zinc/90/03/17/338900317.db2.gz DWTBULHFORBCFN-SJORKVTESA-N 1 0 323.864 3.712 10 0 DHAERO C[C@@H]([NH2+]CCCC(C)(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400327806 340143759 /nfs/dbraw/zinc/14/37/59/340143759.db2.gz AXZQKXSNJHNCEZ-OLZOCXBDSA-N 1 0 320.424 3.657 10 0 DHAERO CC(C)(C)[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)CC1 ZINC000303081140 340300970 /nfs/dbraw/zinc/30/09/70/340300970.db2.gz ARLVUZYVGPCCQI-OALUTQOASA-N 1 0 319.489 3.712 10 0 DHAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000173828155 340375103 /nfs/dbraw/zinc/37/51/03/340375103.db2.gz SSXVGQPZGKZVGA-HOCLYGCPSA-N 1 0 321.465 3.555 10 0 DHAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000174546856 340391353 /nfs/dbraw/zinc/39/13/53/340391353.db2.gz KKCMYPFWRTVEPW-XJKSGUPXSA-N 1 0 323.868 3.527 10 0 DHAERO COCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000178523946 340450474 /nfs/dbraw/zinc/45/04/74/340450474.db2.gz ODXFPKJDBAHOSX-NEPJUHHUSA-N 1 0 300.240 3.915 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C12CCOCC2 ZINC000186296742 340510768 /nfs/dbraw/zinc/51/07/68/340510768.db2.gz DRJBKDANVODFJY-RBUKOAKNSA-N 1 0 317.473 3.676 10 0 DHAERO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000186901184 340516796 /nfs/dbraw/zinc/51/67/96/340516796.db2.gz TZFADIVVESZHIV-LSDHHAIUSA-N 1 0 323.502 3.674 10 0 DHAERO Cc1c(Cl)cccc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000195315414 340577798 /nfs/dbraw/zinc/57/77/98/340577798.db2.gz SSGYTLWYAHZGLU-QGZVFWFLSA-N 1 0 316.832 3.681 10 0 DHAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc(Br)cc1 ZINC000037166665 340768543 /nfs/dbraw/zinc/76/85/43/340768543.db2.gz JJFGYOLRLUXPFU-OAHLLOKOSA-N 1 0 313.283 3.515 10 0 DHAERO C[N@@H+](Cc1ccc2ccccc2n1)C[C@@H]1COc2ccccc2O1 ZINC000072822452 341107881 /nfs/dbraw/zinc/10/78/81/341107881.db2.gz IFEMUCMKSQKHPP-QGZVFWFLSA-N 1 0 320.392 3.507 10 0 DHAERO C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000134538629 341217529 /nfs/dbraw/zinc/21/75/29/341217529.db2.gz ZWVLPEKKTNJIEL-MNOVXSKESA-N 1 0 315.244 3.560 10 0 DHAERO CC(C)C[C@H](CO)[NH2+]Cc1ccc(Br)cc1Cl ZINC000135161688 341232567 /nfs/dbraw/zinc/23/25/67/341232567.db2.gz LJRNWUFIXAAFFM-GFCCVEGCSA-N 1 0 320.658 3.599 10 0 DHAERO CCCc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246087355 341324566 /nfs/dbraw/zinc/32/45/66/341324566.db2.gz WDJXITKWDQFACG-IAGOWNOFSA-N 1 0 315.461 3.730 10 0 DHAERO CCSc1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246305791 341341133 /nfs/dbraw/zinc/34/11/33/341341133.db2.gz DLUBQTUHXGTDDB-CJNGLKHVSA-N 1 0 321.490 3.649 10 0 DHAERO COc1cc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)ccc1SC ZINC000246468158 341349974 /nfs/dbraw/zinc/34/99/74/341349974.db2.gz QHCBTJQZJSMJSD-OFQRWUPVSA-N 1 0 322.518 3.796 10 0 DHAERO C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)CN1C1CC1 ZINC000246841488 341357660 /nfs/dbraw/zinc/35/76/60/341357660.db2.gz BONASZHZPWLBLR-KEYYUXOJSA-N 1 0 300.446 3.504 10 0 DHAERO CC1(C)[C@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)[C@H]2CCO[C@@H]21 ZINC000248186670 341374559 /nfs/dbraw/zinc/37/45/59/341374559.db2.gz XLNWAVLUGHDCTL-WTTBNOFXSA-N 1 0 319.420 3.831 10 0 DHAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000248656555 341382992 /nfs/dbraw/zinc/38/29/92/341382992.db2.gz RRCSQEMYUZQEON-SJORKVTESA-N 1 0 311.853 3.655 10 0 DHAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000248661561 341383434 /nfs/dbraw/zinc/38/34/34/341383434.db2.gz XHUDJERCUHPZFZ-YOEHRIQHSA-N 1 0 311.853 3.655 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(Br)cs2)C1 ZINC000248822756 341387610 /nfs/dbraw/zinc/38/76/10/341387610.db2.gz YDWSVOIHROEVBO-PWSUYJOCSA-N 1 0 317.296 3.646 10 0 DHAERO COc1cc([C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)ccc1F ZINC000153593435 341575443 /nfs/dbraw/zinc/57/54/43/341575443.db2.gz HMGPQXMICJDRBV-OLZOCXBDSA-N 1 0 303.377 3.822 10 0 DHAERO [NH3+]CCC[C@H](Nc1ccc(Br)cn1)c1ccccc1 ZINC000336819031 341737462 /nfs/dbraw/zinc/73/74/62/341737462.db2.gz XZAALNYAAYTPPE-AWEZNQCLSA-N 1 0 320.234 3.736 10 0 DHAERO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000179861440 518443259 /nfs/dbraw/zinc/44/32/59/518443259.db2.gz JTUQPHDOBLONIL-HAZIXKIPSA-N 1 0 311.429 3.736 10 0 DHAERO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](O)CC(F)(F)F)cc1 ZINC000189859130 519763569 /nfs/dbraw/zinc/76/35/69/519763569.db2.gz OSHOUTVBRFTFTA-TZMCWYRMSA-N 1 0 319.367 3.685 10 0 DHAERO CC(C)c1csc([C@H]2CCC[N@H+](CCCn3ccnc3)C2)n1 ZINC000182797716 519857440 /nfs/dbraw/zinc/85/74/40/519857440.db2.gz HMHKGHKTEBUZKU-HNNXBMFYSA-N 1 0 318.490 3.733 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1csc(Cl)c1)CC2 ZINC000191428287 519896792 /nfs/dbraw/zinc/89/67/92/519896792.db2.gz HILZDEBTQQXKFI-PWSUYJOCSA-N 1 0 324.881 3.782 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000106212139 522596507 /nfs/dbraw/zinc/59/65/07/522596507.db2.gz BUXPTWCGURBUBR-WMLDXEAASA-N 1 0 301.409 3.983 10 0 DHAERO CCn1nccc1C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000130212015 523726108 /nfs/dbraw/zinc/72/61/08/523726108.db2.gz CNLKMIDPRMPPKO-AWEZNQCLSA-N 1 0 318.490 3.863 10 0 DHAERO CCc1ccc([C@@H](C)[NH2+]CCCCCS(=O)(=O)CC)cc1 ZINC000191038647 524024176 /nfs/dbraw/zinc/02/41/76/524024176.db2.gz HGLIKUYSYIPFSU-OAHLLOKOSA-N 1 0 311.491 3.505 10 0 DHAERO Cc1ccc(CC[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000124319262 524321107 /nfs/dbraw/zinc/32/11/07/524321107.db2.gz MJBLQEZCWBGUIE-SFHVURJKSA-N 1 0 324.472 3.693 10 0 DHAERO COc1ccc([C@@H](C)C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000182623178 525127541 /nfs/dbraw/zinc/12/75/41/525127541.db2.gz SQPANUYPOFXHPQ-DOTOQJQBSA-N 1 0 303.446 3.880 10 0 DHAERO C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1cccs1 ZINC000182039890 525301439 /nfs/dbraw/zinc/30/14/39/525301439.db2.gz CXMVWHTYDJMLMR-LBPRGKRZSA-N 1 0 318.467 3.538 10 0 DHAERO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1cccs1 ZINC000182554438 525407319 /nfs/dbraw/zinc/40/73/19/525407319.db2.gz GBWXBERYWCOSPM-CQSZACIVSA-N 1 0 314.454 3.590 10 0 DHAERO C[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc(-c2ccccc2)cc1 ZINC000181427025 525457626 /nfs/dbraw/zinc/45/76/26/525457626.db2.gz WNNPHTMGKORCRC-BEFAXECRSA-N 1 0 309.409 3.957 10 0 DHAERO C[C@@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCCO1 ZINC000161946511 525556271 /nfs/dbraw/zinc/55/62/71/525556271.db2.gz IFGGGTMXZFTNST-YGRLFVJLSA-N 1 0 324.396 3.745 10 0 DHAERO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000246172317 525864474 /nfs/dbraw/zinc/86/44/74/525864474.db2.gz BHXCQYAZJGHHDY-LULLPPNCSA-N 1 0 314.473 3.812 10 0 DHAERO Cc1c([C@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)cnn1C(C)C ZINC000191136253 525922324 /nfs/dbraw/zinc/92/23/24/525922324.db2.gz JFULKQHKDXVLCR-KXBFYZLASA-N 1 0 314.477 3.726 10 0 DHAERO Cc1ccc([C@H]([NH2+][C@H]2CCc3nnc(C(C)C)n3C2)C2CC2)cc1 ZINC000180534218 525971437 /nfs/dbraw/zinc/97/14/37/525971437.db2.gz WMHGWWBKWDYVOZ-HKUYNNGSSA-N 1 0 324.472 3.766 10 0 DHAERO C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106182348 526030934 /nfs/dbraw/zinc/03/09/34/526030934.db2.gz VHYGXIAQYGAOHW-ZDUSSCGKSA-N 1 0 305.372 3.635 10 0 DHAERO C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000246289148 526045308 /nfs/dbraw/zinc/04/53/08/526045308.db2.gz NDVSWUIJOWBJIH-UXIGCNINSA-N 1 0 306.837 3.519 10 0 DHAERO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171406 526071610 /nfs/dbraw/zinc/07/16/10/526071610.db2.gz CCYCWFYWAUFUNW-SJORKVTESA-N 1 0 320.440 3.905 10 0 DHAERO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000181117644 526181189 /nfs/dbraw/zinc/18/11/89/526181189.db2.gz MHQZGOHTHNHDEL-HUUCEWRRSA-N 1 0 322.412 3.718 10 0 DHAERO Cc1cnn(CCCCC[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000181628481 526261476 /nfs/dbraw/zinc/26/14/76/526261476.db2.gz XSXQXFVEGNUVFM-CQSZACIVSA-N 1 0 307.388 3.991 10 0 DHAERO Cc1nc(C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)sc1C ZINC000189885206 526892737 /nfs/dbraw/zinc/89/27/37/526892737.db2.gz OPTJXWKAGRIPPY-CYBMUJFWSA-N 1 0 312.442 3.796 10 0 DHAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000157939683 527235157 /nfs/dbraw/zinc/23/51/57/527235157.db2.gz HNQQAUPIUPHENN-AWRGBYNESA-N 1 0 314.473 3.594 10 0 DHAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(OCC3CCCCC3)cc2)C1 ZINC000237880952 527412358 /nfs/dbraw/zinc/41/23/58/527412358.db2.gz QPVIGRCWVKKLFC-CVEARBPZSA-N 1 0 316.445 3.712 10 0 DHAERO CCOc1c(Cl)cc(C[NH2+]CCCOC(C)C)cc1OC ZINC000013721839 563387297 /nfs/dbraw/zinc/38/72/97/563387297.db2.gz CFDQUUQJHURCBZ-UHFFFAOYSA-N 1 0 315.841 3.652 10 0 DHAERO COCCC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000013722547 563387500 /nfs/dbraw/zinc/38/75/00/563387500.db2.gz XQCYLIQXCXSBOT-UHFFFAOYSA-N 1 0 309.793 3.735 10 0 DHAERO COc1c(Cl)cc(Cl)cc1C[NH2+]CCCOC(C)C ZINC000013721916 563387579 /nfs/dbraw/zinc/38/75/79/563387579.db2.gz LTJQHNVDKGECKN-UHFFFAOYSA-N 1 0 306.233 3.907 10 0 DHAERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)C[C@H]1NC(=O)OC(C)(C)C ZINC000068592712 563494854 /nfs/dbraw/zinc/49/48/54/563494854.db2.gz PQHYEHZEEAWEJB-HLLBOEOZSA-N 1 0 318.461 3.810 10 0 DHAERO CC(C)(C)OC(=O)NC1CCC2(CC1)[NH2+]CCc1ccsc12 ZINC000724098353 563496441 /nfs/dbraw/zinc/49/64/41/563496441.db2.gz DNUDRBRADDGEQA-UHFFFAOYSA-N 1 0 322.474 3.556 10 0 DHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000190436741 563809194 /nfs/dbraw/zinc/80/91/94/563809194.db2.gz PBBFZKYDZGHBJD-OWSLCNJRSA-N 1 0 317.477 3.682 10 0 DHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000675053109 563856452 /nfs/dbraw/zinc/85/64/52/563856452.db2.gz FVHBBNIUEMMMEE-RISCZKNCSA-N 1 0 310.825 3.658 10 0 DHAERO Cc1c(Cl)cccc1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675053134 563856625 /nfs/dbraw/zinc/85/66/25/563856625.db2.gz GLCGQBFCIAZGQP-DOMZBBRYSA-N 1 0 324.852 3.966 10 0 DHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000675053112 563856696 /nfs/dbraw/zinc/85/66/96/563856696.db2.gz FXKIEBFNZXYEMU-KGLIPLIRSA-N 1 0 310.825 3.658 10 0 DHAERO Cc1cccc([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1C ZINC000675053675 563861235 /nfs/dbraw/zinc/86/12/35/563861235.db2.gz JYTJHBPPPXGEBR-GOEBONIOSA-N 1 0 304.434 3.703 10 0 DHAERO CCc1ccc([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1 ZINC000675054483 563861789 /nfs/dbraw/zinc/86/17/89/563861789.db2.gz NSHFBFGHHDRNRD-CVEARBPZSA-N 1 0 304.434 3.648 10 0 DHAERO Cc1cc(C[NH+]2CCCC2)c(C)cc1I ZINC000675075468 563910960 /nfs/dbraw/zinc/91/09/60/563910960.db2.gz PRLZNLSMSXBAPC-UHFFFAOYSA-N 1 0 315.198 3.504 10 0 DHAERO c1cc(-c2nc(CN3CCC[N@@H+](C4CC4)CC3)cs2)cs1 ZINC000061040688 1025931757 /nfs/dbraw/zinc/93/17/57/1025931757.db2.gz MMYVHKXSUBMGIZ-UHFFFAOYSA-N 1 0 319.499 3.542 10 0 DHAERO CCC[N@@H+](CC(=O)N1CCC[C@H]1c1cccs1)CC1CC1 ZINC000052891034 1026423036 /nfs/dbraw/zinc/42/30/36/1026423036.db2.gz SJXOHFKIMLZHRO-HNNXBMFYSA-N 1 0 306.475 3.534 10 0 DHAERO O=C(CCCCCc1cccs1)N1CCC[N@@H+](C2CC2)CC1 ZINC000067149697 1030521772 /nfs/dbraw/zinc/52/17/72/1030521772.db2.gz YXNMPVCNIRMRNO-UHFFFAOYSA-N 1 0 320.502 3.548 10 0 DHAERO c1cnn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc3ccccc3n2)c1 ZINC000072744840 1030583161 /nfs/dbraw/zinc/58/31/61/1030583161.db2.gz ANVPPIIPPSHKRC-MOPGFXCFSA-N 1 0 306.413 3.705 10 0 DHAERO C[C@@H]([NH3+])c1cc2cc(Br)cc(Br)c2o1 ZINC000083161033 185214984 /nfs/dbraw/zinc/21/49/84/185214984.db2.gz GDXUSYZWLBBLFF-RXMQYKEDSA-N 1 0 318.996 3.978 10 0 DHAERO COc1ccccc1C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)C(C)C ZINC000090084642 185281304 /nfs/dbraw/zinc/28/13/04/185281304.db2.gz FMCPLZMSULAQQO-DOTOQJQBSA-N 1 0 307.478 3.649 10 0 DHAERO COc1ccccc1C[C@H]([NH2+]CC(C)(C)C[C@H](C)O)C(C)C ZINC000090084644 185281312 /nfs/dbraw/zinc/28/13/12/185281312.db2.gz FMCPLZMSULAQQO-RDJZCZTQSA-N 1 0 307.478 3.649 10 0 DHAERO COc1ccccc1C[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)C(C)C ZINC000090528574 185300827 /nfs/dbraw/zinc/30/08/27/185300827.db2.gz XQIKTSPVQJJECT-KSSFIOAISA-N 1 0 315.461 3.515 10 0 DHAERO Cc1cc(C[C@@H](C)[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)[nH]n1 ZINC000090531734 185300915 /nfs/dbraw/zinc/30/09/15/185300915.db2.gz LCELWLMLIASSFC-RDTXWAMCSA-N 1 0 313.445 3.769 10 0 DHAERO C[C@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000150718046 186059788 /nfs/dbraw/zinc/05/97/88/186059788.db2.gz OLNDTAYBRWVCBR-OLZOCXBDSA-N 1 0 308.853 3.543 10 0 DHAERO CC(C)c1ccc(CN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000150762209 186065501 /nfs/dbraw/zinc/06/55/01/186065501.db2.gz DBOHVJTZSLLGPG-ROUUACIJSA-N 1 0 314.473 3.819 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1 ZINC000236795128 202014287 /nfs/dbraw/zinc/01/42/87/202014287.db2.gz RFWROGXWZUVHFD-ZFWWWQNUSA-N 1 0 302.418 3.860 10 0 DHAERO Clc1ccc(-c2nc(Cl)cc(NC3CC[NH2+]CC3)n2)cc1 ZINC000073737631 191349891 /nfs/dbraw/zinc/34/98/91/191349891.db2.gz FNYATDSHHHNWJL-UHFFFAOYSA-N 1 0 323.227 3.614 10 0 DHAERO CCOc1ccc2c(c1)N1CCC[NH+]=C1N2Cc1ccccc1 ZINC000005327624 181229752 /nfs/dbraw/zinc/22/97/52/181229752.db2.gz LMOPELKYQTYVOQ-UHFFFAOYSA-N 1 0 307.397 3.672 10 0 DHAERO CC[NH+](CC)CC[C@]1(c2ccccc2)c2ccccc2OC1=O ZINC000006720796 181376834 /nfs/dbraw/zinc/37/68/34/181376834.db2.gz HPITVGRITATAFY-FQEVSTJZSA-N 1 0 309.409 3.624 10 0 in-man DHAERO CCN([C@H](C[NH3+])c1ccc(Br)o1)C1CCCCC1 ZINC000019259268 182111881 /nfs/dbraw/zinc/11/18/81/182111881.db2.gz RKRIQGUGPHIHJF-GFCCVEGCSA-N 1 0 315.255 3.697 10 0 DHAERO CCCN(CCC)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000019393089 182120590 /nfs/dbraw/zinc/12/05/90/182120590.db2.gz JKXOPCJGLHFTKD-JTQLQIEISA-N 1 0 305.285 3.632 10 0 DHAERO CN(c1ccccc1)[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000019424901 182122363 /nfs/dbraw/zinc/12/23/63/182122363.db2.gz HELCUJYFQRGIMK-OAHLLOKOSA-N 1 0 323.209 3.724 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2cc(Br)ccc2F)cc1 ZINC000019422375 182122459 /nfs/dbraw/zinc/12/24/59/182122459.db2.gz RBVAAALWUFQDKE-CQSZACIVSA-N 1 0 310.166 3.645 10 0 DHAERO C[NH2+]Cc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 ZINC000019777668 182147951 /nfs/dbraw/zinc/14/79/51/182147951.db2.gz VWYPMGVVGKNXTM-UHFFFAOYSA-N 1 0 305.805 3.955 10 0 DHAERO [NH3+][C@@H]1CN(Cc2ccc(F)cc2)c2ccc(Br)cc21 ZINC000019795895 182151057 /nfs/dbraw/zinc/15/10/57/182151057.db2.gz GPVBMZJVLBXOIU-CQSZACIVSA-N 1 0 321.193 3.608 10 0 DHAERO COC[C@H](C)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000019904940 182162285 /nfs/dbraw/zinc/16/22/85/182162285.db2.gz NEJCTSBATDBDED-UWVGGRQHSA-N 1 0 312.207 3.881 10 0 DHAERO [NH3+][C@@H](c1ccc2c(c1)CCO2)c1ccc(F)cc1Br ZINC000019970985 182171295 /nfs/dbraw/zinc/17/12/95/182171295.db2.gz BYGLZPQIQYRTLT-HNNXBMFYSA-N 1 0 322.177 3.571 10 0 DHAERO COCCc1ccc([C@@H]([NH3+])c2ccccc2Br)cc1 ZINC000019970817 182171364 /nfs/dbraw/zinc/17/13/64/182171364.db2.gz BYYCIUSUVCYXAC-MRXNPFEDSA-N 1 0 320.230 3.686 10 0 DHAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])C1CCC1 ZINC000019967852 182171653 /nfs/dbraw/zinc/17/16/53/182171653.db2.gz MUJCXTYZRDBZPN-NSHDSACASA-N 1 0 304.615 3.911 10 0 DHAERO COc1ccc(OC)c([C@H]([NH3+])c2ccccc2Br)c1 ZINC000019967553 182171669 /nfs/dbraw/zinc/17/16/69/182171669.db2.gz MPGMWFKJTTZXJS-OAHLLOKOSA-N 1 0 322.202 3.514 10 0 DHAERO COc1ccc([C@H]([NH3+])c2ccccc2Br)c(OC)c1 ZINC000019967689 182171752 /nfs/dbraw/zinc/17/17/52/182171752.db2.gz ZXKHLYSTIVXOPE-OAHLLOKOSA-N 1 0 322.202 3.514 10 0 DHAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(Cl)cc2Cl)C1 ZINC000019991358 182174502 /nfs/dbraw/zinc/17/45/02/182174502.db2.gz UKSQTLKFPMAVKV-PGUXBMHVSA-N 1 0 301.261 3.971 10 0 DHAERO Brc1cccc(C[NH2+]CCCOCc2ccco2)c1 ZINC000020146951 182192190 /nfs/dbraw/zinc/19/21/90/182192190.db2.gz ZIVYYQAXLXGMCN-UHFFFAOYSA-N 1 0 324.218 3.739 10 0 DHAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000020081939 182185403 /nfs/dbraw/zinc/18/54/03/182185403.db2.gz GQSBOZFQEQJSIB-JMSVASOKSA-N 1 0 300.368 3.683 10 0 DHAERO [NH3+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 ZINC000020390836 182213398 /nfs/dbraw/zinc/21/33/98/182213398.db2.gz ZKXKUMDJEFJMBY-UHFFFAOYSA-N 1 0 301.752 3.791 10 0 DHAERO Cc1sc2ncnc(NCCC[NH3+])c2c1-c1ccc(F)cc1 ZINC000020321527 182206806 /nfs/dbraw/zinc/20/68/06/182206806.db2.gz CEGUVCLSXDOCHH-UHFFFAOYSA-N 1 0 316.405 3.567 10 0 DHAERO [NH3+][C@@H](Cc1nc2ccccc2s1)c1ccc(Br)o1 ZINC000020428176 182216324 /nfs/dbraw/zinc/21/63/24/182216324.db2.gz YKSHFYZDHBGJET-QMMMGPOBSA-N 1 0 323.215 3.894 10 0 DHAERO COc1ccc([C@H]([NH3+])c2ccc(C)cc2)cc1Br ZINC000020522251 182227312 /nfs/dbraw/zinc/22/73/12/182227312.db2.gz XTEQRDOMCNOJDP-OAHLLOKOSA-N 1 0 306.203 3.814 10 0 DHAERO Cc1cc2cccc(C[NH+]3CCC([C@@H](O)C(C)C)CC3)c2o1 ZINC000020539593 182228878 /nfs/dbraw/zinc/22/88/78/182228878.db2.gz QPZPMDUSSJNCEA-SFHVURJKSA-N 1 0 301.430 3.970 10 0 DHAERO Cc1c(CN2CCC[C@H]([NH+]3CCCC3)C2)c2ccccc2n1C ZINC000020877729 182251687 /nfs/dbraw/zinc/25/16/87/182251687.db2.gz FZSCKPGBDHOBJQ-KRWDZBQOSA-N 1 0 311.473 3.547 10 0 DHAERO CCC[NH2+]Cc1cc(Br)c(OC(C)C)c(OC)c1 ZINC000036815056 182845419 /nfs/dbraw/zinc/84/54/19/182845419.db2.gz OWFHAGJQWHJGAJ-UHFFFAOYSA-N 1 0 316.239 3.745 10 0 DHAERO COc1ccc(Oc2cc(Br)ccc2C[NH3+])cc1 ZINC000036670737 182835031 /nfs/dbraw/zinc/83/50/31/182835031.db2.gz ZGFWEORANRPWBW-UHFFFAOYSA-N 1 0 308.175 3.709 10 0 DHAERO C#[N+][C@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000038534293 183001561 /nfs/dbraw/zinc/00/15/61/183001561.db2.gz DLZFUCIDFRZMOK-HNNXBMFYSA-N 1 0 308.329 3.708 10 0 DHAERO Cc1cccc(Nc2ncnc(Nc3cc[nH+]cc3)c2N)c1C ZINC000040687555 183117997 /nfs/dbraw/zinc/11/79/97/183117997.db2.gz DBLIQWVSBPVVEE-UHFFFAOYSA-N 1 0 306.373 3.558 10 0 DHAERO COc1ccc(C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000040729533 183125334 /nfs/dbraw/zinc/12/53/34/183125334.db2.gz DMPFYFDCYYXJIS-UHFFFAOYSA-N 1 0 315.413 3.781 10 0 DHAERO O[C@@H](CC[NH+]1CCCCCC1)c1ccc(Br)cc1 ZINC000041145251 183176390 /nfs/dbraw/zinc/17/63/90/183176390.db2.gz BWTZSGXIFGZOMV-HNNXBMFYSA-N 1 0 312.251 3.749 10 0 DHAERO [NH3+]C[C@@H](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000041528866 183197983 /nfs/dbraw/zinc/19/79/83/183197983.db2.gz DOHHVJUDKPXMQP-HNNXBMFYSA-N 1 0 304.231 3.809 10 0 DHAERO COc1ccc(C[C@@H](C[NH3+])Cc2ccccc2Cl)cc1F ZINC000041540889 183200238 /nfs/dbraw/zinc/20/02/38/183200238.db2.gz QNXCTHHYSIDQAL-CYBMUJFWSA-N 1 0 307.796 3.848 10 0 DHAERO COc1ccc(C[C@@H](C[NH3+])Cc2cccc(Cl)c2)cc1F ZINC000041540897 183200844 /nfs/dbraw/zinc/20/08/44/183200844.db2.gz AEZWMDABHQVJBD-AWEZNQCLSA-N 1 0 307.796 3.848 10 0 DHAERO CN(Cc1csc(Br)c1)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042363398 183258814 /nfs/dbraw/zinc/25/88/14/183258814.db2.gz KCYLUZJLKIWXSA-NWDGAFQWSA-N 1 0 317.296 3.602 10 0 DHAERO C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H](CN)c1ccc(Br)o1 ZINC000042607000 183290552 /nfs/dbraw/zinc/29/05/52/183290552.db2.gz LDFNWSABLSXDEX-SRVKXCTJSA-N 1 0 315.255 3.552 10 0 DHAERO CN(Cc1cscn1)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000042862617 183315363 /nfs/dbraw/zinc/31/53/63/183315363.db2.gz NSSSNPZAHWGDJS-ZDUSSCGKSA-N 1 0 316.257 3.582 10 0 DHAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC000042903188 183317195 /nfs/dbraw/zinc/31/71/95/183317195.db2.gz CUEBBYBUOCUTCX-IAQYHMDHSA-N 1 0 306.203 3.916 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCC(C)CC1 ZINC000042951682 183320289 /nfs/dbraw/zinc/32/02/89/183320289.db2.gz XRJYBVOVDGCWGP-WFASDCNBSA-N 1 0 311.267 3.569 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCC[C@@H]1C ZINC000042954013 183321540 /nfs/dbraw/zinc/32/15/40/183321540.db2.gz BEYZNGJQPATCIT-CQDKDKBSSA-N 1 0 311.267 3.712 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CC)C1CC1 ZINC000042952777 183321922 /nfs/dbraw/zinc/32/19/22/183321922.db2.gz CENHFVVZCLPKTI-GJZGRUSLSA-N 1 0 311.267 3.712 10 0 DHAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1)c1ccc(Br)cc1 ZINC000042956835 183322662 /nfs/dbraw/zinc/32/26/62/183322662.db2.gz ILVZYMRMQCINBL-ABAIWWIYSA-N 1 0 306.203 3.916 10 0 DHAERO Cc1nn([C@@H](c2ccc(Br)cc2)[C@H](C)[NH3+])c(C)c1C ZINC000042956118 183322666 /nfs/dbraw/zinc/32/26/66/183322666.db2.gz VNLVAJNLMYKWIH-ZUZCIYMTSA-N 1 0 322.250 3.507 10 0 DHAERO [NH3+]C[C@H](OCc1ccccc1)c1ccc(Br)cc1 ZINC000042956289 183323153 /nfs/dbraw/zinc/32/31/53/183323153.db2.gz BZZXRHHZURBFED-HNNXBMFYSA-N 1 0 306.203 3.666 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CC[C@H](C)C1 ZINC000043021085 183329710 /nfs/dbraw/zinc/32/97/10/183329710.db2.gz JJZHDSVYZBGCBU-TUKIKUTGSA-N 1 0 311.267 3.569 10 0 DHAERO [NH3+]C[C@H](Oc1ccc(F)cc1)c1cccc(Br)c1 ZINC000043022628 183330510 /nfs/dbraw/zinc/33/05/10/183330510.db2.gz OYCVMXHEJLMUCC-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1)c1cccc(Br)c1 ZINC000043022650 183330532 /nfs/dbraw/zinc/33/05/32/183330532.db2.gz KJRIZKUYNJXKLE-ABAIWWIYSA-N 1 0 306.203 3.916 10 0 DHAERO C[C@H]([NH3+])[C@H](OCc1ccco1)c1ccccc1Br ZINC000043094007 183336638 /nfs/dbraw/zinc/33/66/38/183336638.db2.gz IOKAYKJTYNTVEL-HZMBPMFUSA-N 1 0 310.191 3.647 10 0 DHAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(Br)c1)c1cccs1 ZINC000043108539 183338315 /nfs/dbraw/zinc/33/83/15/183338315.db2.gz QNNMABNPQXHULO-NOZJJQNGSA-N 1 0 312.232 3.978 10 0 DHAERO [NH3+]C[C@@H](Oc1ccc(Br)cc1F)c1cccs1 ZINC000043110593 183338375 /nfs/dbraw/zinc/33/83/75/183338375.db2.gz DMPQFVXFLOFSGU-LLVKDONJSA-N 1 0 316.195 3.729 10 0 DHAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N(CC)C1CC1 ZINC000043091207 183335553 /nfs/dbraw/zinc/33/55/53/183335553.db2.gz XZMGRNKMLYEXQH-CABCVRRESA-N 1 0 311.267 3.712 10 0 DHAERO COc1cccc(O[C@@H](C[NH3+])c2ccccc2Br)c1 ZINC000043094160 183336416 /nfs/dbraw/zinc/33/64/16/183336416.db2.gz ZIHUWHMBIOEGBO-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000106216170 194191451 /nfs/dbraw/zinc/19/14/51/194191451.db2.gz KRGXIVPKULUQSX-AWEZNQCLSA-N 1 0 305.372 3.561 10 0 DHAERO COc1ccc(C[C@H]([NH3+])C2CCCCC2)cc1Br ZINC000049599166 183746632 /nfs/dbraw/zinc/74/66/32/183746632.db2.gz ZVHAHHBJCNADFC-AWEZNQCLSA-N 1 0 312.251 3.908 10 0 DHAERO Cc1nn(-c2ccccc2C[NH2+]C(C)C)c(C)c1Br ZINC000050593812 183790220 /nfs/dbraw/zinc/79/02/20/183790220.db2.gz YZEWVZJGXJOPMO-UHFFFAOYSA-N 1 0 322.250 3.750 10 0 DHAERO [NH3+][C@@H](Cc1cc(Br)cs1)Cc1cccc(F)c1 ZINC000053830691 183914217 /nfs/dbraw/zinc/91/42/17/183914217.db2.gz BQESTRWDTSIYTL-GFCCVEGCSA-N 1 0 314.223 3.762 10 0 DHAERO C[C@@H](C[NH2+]C1CC1)Sc1ncc(C(F)(F)F)cc1Cl ZINC000053622768 183908507 /nfs/dbraw/zinc/90/85/07/183908507.db2.gz APWNTESLWBFRMI-ZETCQYMHSA-N 1 0 310.772 3.986 10 0 DHAERO CC[C@](C)(C[NH2+]CCOC)Cc1sccc1Br ZINC000054662046 183947522 /nfs/dbraw/zinc/94/75/22/183947522.db2.gz IHRSYOANVFYEQK-ZDUSSCGKSA-N 1 0 320.296 3.705 10 0 DHAERO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000057382147 184037091 /nfs/dbraw/zinc/03/70/91/184037091.db2.gz ONAJDCAVPOIAQG-ZDUSSCGKSA-N 1 0 302.805 3.938 10 0 DHAERO CC[NH2+][C@@H](c1ccc(Br)o1)c1ccc2c(c1)COC2 ZINC000062333261 184230878 /nfs/dbraw/zinc/23/08/78/184230878.db2.gz OHGILNSFNGCZMH-OAHLLOKOSA-N 1 0 322.202 3.771 10 0 DHAERO C[C@H](O)COc1c(Cl)cc(Cl)cc1C[NH2+]C(C)(C)C ZINC000062732882 184251516 /nfs/dbraw/zinc/25/15/16/184251516.db2.gz GFOQZRPSEHELMF-VIFPVBQESA-N 1 0 306.233 3.641 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CCCC1(C)C ZINC000063065907 184269174 /nfs/dbraw/zinc/26/91/74/184269174.db2.gz PBSVBVLICXSDGI-CABZTGNLSA-N 1 0 317.296 3.773 10 0 DHAERO C[C@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCCC1(C)C ZINC000063065777 184269227 /nfs/dbraw/zinc/26/92/27/184269227.db2.gz JKFBQIHLNHRHAT-JOYOIKCWSA-N 1 0 317.296 3.773 10 0 DHAERO COc1ccc2[nH]cc(C[NH+](C)C)c2c1OCc1ccccc1 ZINC000504632501 257132580 /nfs/dbraw/zinc/13/25/80/257132580.db2.gz KMGZCSJZUKNQJR-UHFFFAOYSA-N 1 0 310.397 3.817 10 0 DHAERO CCCc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])cc1 ZINC000071790694 184842405 /nfs/dbraw/zinc/84/24/05/184842405.db2.gz ZETHJCQAEHOFJN-SJORKVTESA-N 1 0 318.461 3.691 10 0 DHAERO C[C@H]1C[C@H](C(=O)NC2CCC(C[NH+](C)C)CC2)CC(C)(C)C1 ZINC000180521544 331570917 /nfs/dbraw/zinc/57/09/17/331570917.db2.gz OWJOOYVJZBUUBP-SOEBMCCKSA-N 1 0 308.510 3.685 10 0 DHAERO Cc1ccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000130034529 332022217 /nfs/dbraw/zinc/02/22/17/332022217.db2.gz BWJQAVBPHOLGEC-BLLLJJGKSA-N 1 0 302.805 3.923 10 0 DHAERO C[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)[C@H]([NH3+])c1ccccc1 ZINC000130196241 332023277 /nfs/dbraw/zinc/02/32/77/332023277.db2.gz XMSDFBIVYFLMDX-ZETOZRRWSA-N 1 0 322.861 3.915 10 0 DHAERO C[C@@H](C(=O)Nc1ccc(Cl)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000130205022 332023287 /nfs/dbraw/zinc/02/32/87/332023287.db2.gz MNDNMTQNBFHZNJ-MEBBXXQBSA-N 1 0 306.768 3.754 10 0 DHAERO CC(C)c1nc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2s1 ZINC000153446302 332383480 /nfs/dbraw/zinc/38/34/80/332383480.db2.gz GCWQZTKDFUQODK-VXGBXAGGSA-N 1 0 317.458 3.876 10 0 DHAERO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000261639592 332483478 /nfs/dbraw/zinc/48/34/78/332483478.db2.gz CGNPDWFIXRUACY-JQWIXIFHSA-N 1 0 315.244 3.703 10 0 DHAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000261857869 332566042 /nfs/dbraw/zinc/56/60/42/332566042.db2.gz KDUVYXQAUDNHAR-OAHLLOKOSA-N 1 0 310.397 3.950 10 0 DHAERO C[C@H](NCc1ccccc1OCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000562960559 332652425 /nfs/dbraw/zinc/65/24/25/332652425.db2.gz PLHNIUJZZSCKCR-PKOBYXMFSA-N 1 0 324.468 3.743 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cc(Br)ccc1F ZINC000178161670 333002659 /nfs/dbraw/zinc/00/26/59/333002659.db2.gz LWMHWEMSCWUKSY-FZZIBODNSA-N 1 0 316.214 3.542 10 0 DHAERO Cc1ccccc1[C@@H]([NH2+]CCSCCCO)c1ccccc1 ZINC000180479722 333028235 /nfs/dbraw/zinc/02/82/35/333028235.db2.gz NBJGZPGYTRPUBE-IBGZPJMESA-N 1 0 315.482 3.790 10 0 DHAERO CC(C)[NH2+]CCN(C)Cc1cc(Br)ccc1Cl ZINC000228263332 333169580 /nfs/dbraw/zinc/16/95/80/333169580.db2.gz KZJRVDYCCRMODL-UHFFFAOYSA-N 1 0 319.674 3.532 10 0 DHAERO COc1ccc(F)cc1C[NH2+][C@H](C)COCc1ccccc1 ZINC000390576243 333303195 /nfs/dbraw/zinc/30/31/95/333303195.db2.gz WCYACCBEVPWBSS-CQSZACIVSA-N 1 0 303.377 3.529 10 0 DHAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000120795577 333307872 /nfs/dbraw/zinc/30/78/72/333307872.db2.gz CQTNBGUDFRCDDY-IOASZLSFSA-N 1 0 313.388 3.766 10 0 DHAERO C[C@H]([NH2+]CCn1cc(Cl)cn1)c1ccc(F)c(Cl)c1 ZINC000388543346 333323543 /nfs/dbraw/zinc/32/35/43/333323543.db2.gz RXGACNJOYWWQCJ-VIFPVBQESA-N 1 0 302.180 3.680 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000040502225 333353360 /nfs/dbraw/zinc/35/33/60/333353360.db2.gz YKDBTKSPEVXRFA-WFASDCNBSA-N 1 0 300.368 3.840 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000040502226 333353399 /nfs/dbraw/zinc/35/33/99/333353399.db2.gz YKDBTKSPEVXRFA-SWLSCSKDSA-N 1 0 300.368 3.840 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000040502438 333353610 /nfs/dbraw/zinc/35/36/10/333353610.db2.gz CZZQAFNBBAOMDH-SWLSCSKDSA-N 1 0 300.368 3.840 10 0 DHAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187013858 333383794 /nfs/dbraw/zinc/38/37/94/333383794.db2.gz QAYUOFLBWVSGSA-LBPRGKRZSA-N 1 0 313.392 3.650 10 0 DHAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000048769212 334296012 /nfs/dbraw/zinc/29/60/12/334296012.db2.gz WUZDOAPAPVPSQV-LLVKDONJSA-N 1 0 316.232 3.599 10 0 DHAERO C[C@H]([NH2+]CC(=O)NC1CCCCC1)c1ccc(Cl)s1 ZINC000049129633 334315324 /nfs/dbraw/zinc/31/53/24/334315324.db2.gz USNLTEQQDUTYHH-JTQLQIEISA-N 1 0 300.855 3.501 10 0 DHAERO C[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000101586628 334333513 /nfs/dbraw/zinc/33/35/13/334333513.db2.gz CCTQPCDREMMULM-LLVKDONJSA-N 1 0 322.330 3.783 10 0 DHAERO CC[C@@H](CO)[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000188676454 334868754 /nfs/dbraw/zinc/86/87/54/334868754.db2.gz VCGWQEZLPKFZNY-KSSFIOAISA-N 1 0 319.832 3.799 10 0 DHAERO Cc1cccc([C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C(C)(C)C)c1 ZINC000161593719 334891199 /nfs/dbraw/zinc/89/11/99/334891199.db2.gz RFBIEOHKTVRPPB-IKGGRYGDSA-N 1 0 302.462 3.716 10 0 DHAERO O[C@@H]1CCCC[C@@H]1[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000051997226 335783210 /nfs/dbraw/zinc/78/32/10/335783210.db2.gz KYQRXYARADNARO-DISOXQEGSA-N 1 0 324.262 3.588 10 0 DHAERO C[C@H]([NH2+]CC(=O)N1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000102688248 335930102 /nfs/dbraw/zinc/93/01/02/335930102.db2.gz VMNARGVJWCOQNH-INIZCTEOSA-N 1 0 308.425 3.627 10 0 DHAERO COC(=O)C1CCC([NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000192447592 336033035 /nfs/dbraw/zinc/03/30/35/336033035.db2.gz PNNULFMTRFWDSX-UESGHJTASA-N 1 0 301.430 3.550 10 0 DHAERO CC1(C)CN(C(=O)NCC2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000333840138 336210767 /nfs/dbraw/zinc/21/07/67/336210767.db2.gz OBUFIYIDTBKGCZ-AWEZNQCLSA-N 1 0 321.490 3.502 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)no1 ZINC000103150206 336237693 /nfs/dbraw/zinc/23/76/93/336237693.db2.gz SIJVHIKQKHXYGR-INIZCTEOSA-N 1 0 321.424 3.986 10 0 DHAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000192840111 336265544 /nfs/dbraw/zinc/26/55/44/336265544.db2.gz NMZYQXWZYKGKKH-DLBZAZTESA-N 1 0 308.510 3.828 10 0 DHAERO CC(C)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000104972426 336273050 /nfs/dbraw/zinc/27/30/50/336273050.db2.gz QODHZUDCUKSZSX-KRWDZBQOSA-N 1 0 301.434 3.512 10 0 DHAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000192941204 336285370 /nfs/dbraw/zinc/28/53/70/336285370.db2.gz MERZOUFKHJQZNH-HNAYVOBHSA-N 1 0 310.441 3.575 10 0 DHAERO Fc1c(N2CC[N@@H+]3CCCC[C@@H]3C2)ccc2c(Cl)ccnc12 ZINC000301219827 336295408 /nfs/dbraw/zinc/29/54/08/336295408.db2.gz AJNRWTZRNQEFTG-GFCCVEGCSA-N 1 0 319.811 3.702 10 0 DHAERO Clc1nc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc2ccccc21 ZINC000301250115 336296663 /nfs/dbraw/zinc/29/66/63/336296663.db2.gz RNZOFPQATXQKRW-CQSZACIVSA-N 1 0 301.821 3.563 10 0 DHAERO C[C@@H](Nc1ccc(-c2ccc(F)cc2)nn1)C(C)(C)C[NH+](C)C ZINC000301537983 336313258 /nfs/dbraw/zinc/31/32/58/336313258.db2.gz BFCWLOQFCVUYLZ-CYBMUJFWSA-N 1 0 316.424 3.671 10 0 DHAERO CCCc1nnc(NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000301672850 336322489 /nfs/dbraw/zinc/32/24/89/336322489.db2.gz OYDSJHUGXXLWFC-GFCCVEGCSA-N 1 0 322.503 3.801 10 0 DHAERO Cc1cccc2c(N(C)Cc3ccc([S@](C)=O)cc3)cc[nH+]c12 ZINC000301688195 336323508 /nfs/dbraw/zinc/32/35/08/336323508.db2.gz VKVGBHKSTXYWQO-QHCPKHFHSA-N 1 0 324.449 3.917 10 0 DHAERO CC[N@@H+]1CCc2c(cccc2Nc2cc(Cl)nc(C)n2)C1 ZINC000301719190 336325364 /nfs/dbraw/zinc/32/53/64/336325364.db2.gz ZFDRATDWAWDWDT-UHFFFAOYSA-N 1 0 302.809 3.560 10 0 DHAERO CCc1cc(NCCSCC(C)(C)O)c2ccccc2[nH+]1 ZINC000301796365 336330416 /nfs/dbraw/zinc/33/04/16/336330416.db2.gz QCUWFKNLRPYJTB-UHFFFAOYSA-N 1 0 304.459 3.713 10 0 DHAERO CCOC(=O)[C@]1(C)CCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000302089426 336347928 /nfs/dbraw/zinc/34/79/28/336347928.db2.gz OQNLDJSTWZSGOV-LJQANCHMSA-N 1 0 312.413 3.631 10 0 DHAERO CC1=CC[N@H+](CCNc2ccnc3c(F)cc(F)cc23)CC1 ZINC000302402654 336358240 /nfs/dbraw/zinc/35/82/40/336358240.db2.gz FXUPJUYDKUDASR-UHFFFAOYSA-N 1 0 303.356 3.577 10 0 DHAERO COc1cc(C[NH2+][C@@H]2C[C@H]2C)ccc1OCc1cccs1 ZINC000105437895 336387550 /nfs/dbraw/zinc/38/75/50/336387550.db2.gz ZJMSANMKHUDIMD-IUODEOHRSA-N 1 0 303.427 3.834 10 0 DHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C)c1 ZINC000122769510 337023613 /nfs/dbraw/zinc/02/36/13/337023613.db2.gz LFPHWSPRXKEJAI-QGZVFWFLSA-N 1 0 301.409 3.822 10 0 DHAERO [NH3+]C[C@@H]1CCCN1CCSc1cc(Cl)ccc1Cl ZINC000123377066 337045417 /nfs/dbraw/zinc/04/54/17/337045417.db2.gz GBKFSXPVEQPNOL-NSHDSACASA-N 1 0 305.274 3.509 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000193988581 337081035 /nfs/dbraw/zinc/08/10/35/337081035.db2.gz YDWSVOIHROEVBO-JQWIXIFHSA-N 1 0 317.296 3.646 10 0 DHAERO Cc1csc([C@@H]2CCC[N@H+](C[C@](C)(O)c3ccccc3)C2)n1 ZINC000170778561 337082993 /nfs/dbraw/zinc/08/29/93/337082993.db2.gz OQCBUBPBZFNZMU-QAPCUYQASA-N 1 0 316.470 3.539 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000171524367 337087814 /nfs/dbraw/zinc/08/78/14/337087814.db2.gz OLGPZZWAJMMMSO-LBPRGKRZSA-N 1 0 309.866 3.998 10 0 DHAERO C[C@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)CCS1 ZINC000171688208 337088528 /nfs/dbraw/zinc/08/85/28/337088528.db2.gz QQNRJSWKZYCMKK-NSHDSACASA-N 1 0 305.365 3.565 10 0 DHAERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)Nc1cc(F)ccc1F ZINC000172603619 337130165 /nfs/dbraw/zinc/13/01/65/337130165.db2.gz XXSOBDWAXBEKJS-NXEZZACHSA-N 1 0 310.369 3.704 10 0 DHAERO CCc1cccc(CC)c1NC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000176264208 337151590 /nfs/dbraw/zinc/15/15/90/337151590.db2.gz CFHOUOAVWSWRTH-KRWDZBQOSA-N 1 0 317.477 3.759 10 0 DHAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180527039 337176185 /nfs/dbraw/zinc/17/61/85/337176185.db2.gz TYVYEVRHXCJQIW-FPCVCCKLSA-N 1 0 304.482 3.521 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1F ZINC000180857943 337178209 /nfs/dbraw/zinc/17/82/09/337178209.db2.gz YADIJKKUHJGAHB-BBRMVZONSA-N 1 0 316.424 3.596 10 0 DHAERO Cc1ccccc1[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccccc1 ZINC000180947523 337178789 /nfs/dbraw/zinc/17/87/89/337178789.db2.gz YSAXREORBDGLOQ-WIYYLYMNSA-N 1 0 317.436 3.955 10 0 DHAERO CC[C@@H]([NH2+]C[C@H]1CCCN1C)c1cccc(Br)c1 ZINC000222702629 337180250 /nfs/dbraw/zinc/18/02/50/337180250.db2.gz MUJWBCQRIQUCAF-HUUCEWRRSA-N 1 0 311.267 3.584 10 0 DHAERO Cc1csc([C@H]2CCC[N@H+](CCC(=O)c3ccccc3)C2)n1 ZINC000182181324 337187103 /nfs/dbraw/zinc/18/71/03/337187103.db2.gz FLSMLJYRRGSZME-INIZCTEOSA-N 1 0 314.454 3.904 10 0 DHAERO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000182656779 337189310 /nfs/dbraw/zinc/18/93/10/337189310.db2.gz RWIQUWNHJLKLSS-HNNXBMFYSA-N 1 0 316.470 3.836 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C)sc2C)C12CCOCC2 ZINC000186225494 337254774 /nfs/dbraw/zinc/25/47/74/337254774.db2.gz BHESRNYZANHFPM-IAOVAPTHSA-N 1 0 323.502 3.990 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2)C12CCOCC2 ZINC000186239231 337255023 /nfs/dbraw/zinc/25/50/23/337255023.db2.gz JUCLKPUHHIVSRZ-ZWKOTPCHSA-N 1 0 317.473 3.528 10 0 DHAERO c1ccc2c(c1)OCC[C@@H]2[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000186422361 337255978 /nfs/dbraw/zinc/25/59/78/337255978.db2.gz TWMATHAGHBJBIB-SFHVURJKSA-N 1 0 309.409 3.668 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2occ(C)c2c1 ZINC000187924453 337268902 /nfs/dbraw/zinc/26/89/02/337268902.db2.gz VMVIFDXMLDSXMP-OAHLLOKOSA-N 1 0 315.417 3.689 10 0 DHAERO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188058670 337270315 /nfs/dbraw/zinc/27/03/15/337270315.db2.gz FKZYHIOXLMZFDA-DFBGVHRSSA-N 1 0 323.408 3.795 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000392932405 337290806 /nfs/dbraw/zinc/29/08/06/337290806.db2.gz PRWKUHZVOCYCID-IIMNLJJBSA-N 1 0 315.244 3.701 10 0 DHAERO CC[C@H](C(=O)OC(C)(C)C)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000191977708 337302452 /nfs/dbraw/zinc/30/24/52/337302452.db2.gz YMCJDQDTIUSVLO-UONOGXRCSA-N 1 0 324.490 3.751 10 0 DHAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)C(=O)Nc1ccc(OC)cc1 ZINC000192533015 337306288 /nfs/dbraw/zinc/30/62/88/337306288.db2.gz FPBZLDCVAOHNOZ-CJNGLKHVSA-N 1 0 316.401 3.665 10 0 DHAERO COCc1nc2n(n1)CCC[C@H]2[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000193301707 337309730 /nfs/dbraw/zinc/30/97/30/337309730.db2.gz XOVTZXANLXOWHC-JKSUJKDBSA-N 1 0 320.481 3.622 10 0 DHAERO C[NH2+]CCCCCCCCN(C)C(=O)OCc1ccccc1 ZINC000584600904 337370852 /nfs/dbraw/zinc/37/08/52/337370852.db2.gz PJHKRGZPNMAHHT-UHFFFAOYSA-N 1 0 306.450 3.815 10 0 DHAERO c1ccc2cc([C@H]3N=C(CCC[NH+]4CCCC4)ON3)ccc2c1 ZINC000584614134 337372528 /nfs/dbraw/zinc/37/25/28/337372528.db2.gz SFBHTETVNLGGKU-IBGZPJMESA-N 1 0 309.413 3.648 10 0 DHAERO c1ccc2cc([C@@H]3N=C(CCC[NH+]4CCCC4)ON3)ccc2c1 ZINC000584614135 337372569 /nfs/dbraw/zinc/37/25/69/337372569.db2.gz SFBHTETVNLGGKU-LJQANCHMSA-N 1 0 309.413 3.648 10 0 DHAERO CC[NH+](CC)CCC[C@@H](C)N1C(=O)CC2(CCCCC2)CC1=O ZINC000584631061 337377087 /nfs/dbraw/zinc/37/70/87/337377087.db2.gz PHXDYAGNYBXRLG-MRXNPFEDSA-N 1 0 322.493 3.596 10 0 DHAERO CCn1nc(C)c2c1CC[NH2+][C@H]2Cc1ccc2ccccc2c1 ZINC000584656534 337378037 /nfs/dbraw/zinc/37/80/37/337378037.db2.gz MOWJPDFPSOYJDS-SFHVURJKSA-N 1 0 305.425 3.794 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(F)cc4cccnc43)C2)c1 ZINC000106221285 337387105 /nfs/dbraw/zinc/38/71/05/337387105.db2.gz ZNKHBAWCBPGIMW-GOSISDBHSA-N 1 0 324.403 3.716 10 0 DHAERO Clc1ccc([C@H]2C[C@@H]2C[NH2+]Cc2cncnc2)c(Cl)c1 ZINC000123654680 337400265 /nfs/dbraw/zinc/40/02/65/337400265.db2.gz OCIIEXOAJBJOCT-RISCZKNCSA-N 1 0 308.212 3.677 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(OC(F)F)cc1 ZINC000248069626 337562521 /nfs/dbraw/zinc/56/25/21/337562521.db2.gz MLIMNUIARKGLJM-CWRNSKLLSA-N 1 0 313.388 3.880 10 0 DHAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000249249292 337570128 /nfs/dbraw/zinc/57/01/28/337570128.db2.gz FWKDWUVIEHPTPP-PVAVHDDUSA-N 1 0 301.430 3.838 10 0 DHAERO CC1(C)CN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000261626933 337606699 /nfs/dbraw/zinc/60/66/99/337606699.db2.gz DZVIJLVYYLUQDW-CYBMUJFWSA-N 1 0 320.786 3.918 10 0 DHAERO CN(C[C@@H]1CCC[NH2+]C1)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000261803714 337610934 /nfs/dbraw/zinc/61/09/34/337610934.db2.gz HEQOYLURHNLSGF-BXUZGUMPSA-N 1 0 320.786 3.875 10 0 DHAERO Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261887730 337612100 /nfs/dbraw/zinc/61/21/00/337612100.db2.gz UUKNTCPGWXPXBS-CMPLNLGQSA-N 1 0 320.820 3.594 10 0 DHAERO Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261982674 337613717 /nfs/dbraw/zinc/61/37/17/337613717.db2.gz MGQMSTITYZRVBP-ZDUSSCGKSA-N 1 0 320.820 3.594 10 0 DHAERO CCC[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000261992295 337613851 /nfs/dbraw/zinc/61/38/51/337613851.db2.gz MJLGFCULWSKBMK-ZJUUUORDSA-N 1 0 303.233 3.559 10 0 DHAERO CCCn1ccc(C[NH2+]Cc2ccc(Br)cc2)c1 ZINC000091009433 337888279 /nfs/dbraw/zinc/88/82/79/337888279.db2.gz CTXBTVXOMIAXAS-UHFFFAOYSA-N 1 0 307.235 3.950 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1cccc(O)c1 ZINC000194904737 338776375 /nfs/dbraw/zinc/77/63/75/338776375.db2.gz XKTDWBWULSZPOK-LSDHHAIUSA-N 1 0 307.397 3.990 10 0 DHAERO COCCOCC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1C ZINC000195267714 338888162 /nfs/dbraw/zinc/88/81/62/338888162.db2.gz YSEZTHIXCWGACN-HXUWFJFHSA-N 1 0 313.441 3.645 10 0 DHAERO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400445093 340146549 /nfs/dbraw/zinc/14/65/49/340146549.db2.gz NMIKKSAYGLMFTH-WOPDTQHZSA-N 1 0 324.387 3.562 10 0 DHAERO CCO[C@H]1C[C@@H]([NH2+]CCC2=CCCCCC2)C12CCOCC2 ZINC000186509045 340513864 /nfs/dbraw/zinc/51/38/64/340513864.db2.gz ABYWKPUWAACXHB-MSOLQXFVSA-N 1 0 307.478 3.831 10 0 DHAERO O[C@@H]1CC[C@H](C[NH2+]C2c3ccccc3CCc3ccccc32)C1 ZINC000189284390 340532842 /nfs/dbraw/zinc/53/28/42/340532842.db2.gz JVOSFMHJAPJYOW-MAUKXSAKSA-N 1 0 307.437 3.625 10 0 DHAERO CCOC(=O)c1csc(CC[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000190338786 340544273 /nfs/dbraw/zinc/54/42/73/340544273.db2.gz CPDSZXDXVWTTJG-CHWSQXEVSA-N 1 0 324.490 3.667 10 0 DHAERO C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(F)c(Cl)c1 ZINC000195378622 340578721 /nfs/dbraw/zinc/57/87/21/340578721.db2.gz PCILDNVTXWGGJI-NSHDSACASA-N 1 0 324.827 3.531 10 0 DHAERO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(I)cc1 ZINC000037259333 340780907 /nfs/dbraw/zinc/78/09/07/340780907.db2.gz AWJINVDIEUODFT-NXEZZACHSA-N 1 0 315.198 3.740 10 0 DHAERO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000128516015 340892507 /nfs/dbraw/zinc/89/25/07/340892507.db2.gz KUQXIQCPLVUOHW-LJQANCHMSA-N 1 0 308.425 3.556 10 0 DHAERO C[C@H]1CN(Cc2ccc(F)cc2Br)CCS1 ZINC000134342853 341213612 /nfs/dbraw/zinc/21/36/12/341213612.db2.gz KYXOUANNSYIGFD-VIFPVBQESA-N 1 0 304.228 3.526 10 0 DHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135271936 341235116 /nfs/dbraw/zinc/23/51/16/341235116.db2.gz SBQRWHLOMNKFLW-GZIXRCOHSA-N 1 0 307.409 3.833 10 0 DHAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000135615526 341242824 /nfs/dbraw/zinc/24/28/24/341242824.db2.gz QTFBYPDANVOJTL-CHWSQXEVSA-N 1 0 305.390 3.519 10 0 DHAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000079495130 341259981 /nfs/dbraw/zinc/25/99/81/341259981.db2.gz UXHLETNRZHJWCH-QZTJIDSGSA-N 1 0 317.477 3.509 10 0 DHAERO C[C@H]([NH2+]Cc1ccc(Cl)c(Br)c1)[C@H]1CCCO1 ZINC000137073964 341271911 /nfs/dbraw/zinc/27/19/11/341271911.db2.gz VIBNWFZGGSJPAO-TVQRCGJNSA-N 1 0 318.642 3.760 10 0 DHAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)cc1C ZINC000245436290 341293791 /nfs/dbraw/zinc/29/37/91/341293791.db2.gz UXPNRUVESCLDJM-GJZGRUSLSA-N 1 0 321.852 3.739 10 0 DHAERO c1ccc(-c2cccc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)c2)nc1 ZINC000245542874 341300937 /nfs/dbraw/zinc/30/09/37/341300937.db2.gz QGMVBKDPWOJTTI-UXHICEINSA-N 1 0 308.425 3.892 10 0 DHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000246012837 341322074 /nfs/dbraw/zinc/32/20/74/341322074.db2.gz SBQRWHLOMNKFLW-IARIHHJXSA-N 1 0 307.409 3.833 10 0 DHAERO c1ccc(NC[C@@H]2CC[N@@H+]([C@@H]3CCCc4ccccc43)C2)nc1 ZINC000246068605 341323617 /nfs/dbraw/zinc/32/36/17/341323617.db2.gz BHGQKBYVLQHZQG-QFBILLFUSA-N 1 0 307.441 3.893 10 0 DHAERO COc1cccc2cc([C@H](C)[NH2+][C@@H]3CN(C(C)C)C[C@@H]3C)oc21 ZINC000248025712 341372273 /nfs/dbraw/zinc/37/22/73/341372273.db2.gz OVXSJIXKXGUQOY-OFQRWUPVSA-N 1 0 316.445 3.821 10 0 DHAERO CC(C)[C@@H](C)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000248057486 341372720 /nfs/dbraw/zinc/37/27/20/341372720.db2.gz XQYIYKTZZIPGJU-DLBZAZTESA-N 1 0 323.525 3.717 10 0 DHAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@H]1C)CCS2 ZINC000248890124 341389594 /nfs/dbraw/zinc/38/95/94/341389594.db2.gz YRBDGNDVCSVCQI-KBRIMQKVSA-N 1 0 320.502 3.550 10 0 DHAERO COc1ccccc1C[C@H]([NH2+]CCCC(C)(C)CO)C(C)C ZINC000163276832 341653908 /nfs/dbraw/zinc/65/39/08/341653908.db2.gz PDKQPKXFHAWMRM-KRWDZBQOSA-N 1 0 307.478 3.651 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)COCc2ccccc2)C12CCC2 ZINC000344079768 341858216 /nfs/dbraw/zinc/85/82/16/341858216.db2.gz UOTQVURRMXZHIW-BPQIPLTHSA-N 1 0 303.446 3.529 10 0 DHAERO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000178421555 519646103 /nfs/dbraw/zinc/64/61/03/519646103.db2.gz NIELRCUIXCVINZ-FTXHTYHOSA-N 1 0 302.462 3.908 10 0 DHAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000181282697 519692645 /nfs/dbraw/zinc/69/26/45/519692645.db2.gz OEIAXAYKLGIEPO-WWGRRREGSA-N 1 0 303.475 3.676 10 0 DHAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000112552125 519871981 /nfs/dbraw/zinc/87/19/81/519871981.db2.gz YUIQDUYNPACCCE-WFASDCNBSA-N 1 0 318.852 3.721 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C12CCOCC2 ZINC000186221843 520373418 /nfs/dbraw/zinc/37/34/18/520373418.db2.gz PXEIBVQLMAKQJX-QRVBRYPASA-N 1 0 315.457 3.702 10 0 DHAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000183134480 520412869 /nfs/dbraw/zinc/41/28/69/520412869.db2.gz GGQVTUBFXMPJBD-KRWDZBQOSA-N 1 0 306.413 3.533 10 0 DHAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000191101269 520863544 /nfs/dbraw/zinc/86/35/44/520863544.db2.gz OGMQFEJYQLNXAF-RLFYNMQTSA-N 1 0 321.486 3.733 10 0 DHAERO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3ccc(C)o3)ccc2o1 ZINC000182584785 521917971 /nfs/dbraw/zinc/91/79/71/521917971.db2.gz HETFJCSPKMGZJV-GFCCVEGCSA-N 1 0 313.353 3.972 10 0 DHAERO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2C)cc1F ZINC000181537026 522034870 /nfs/dbraw/zinc/03/48/70/522034870.db2.gz RFSTZQKWEGRCIS-ZDUSSCGKSA-N 1 0 301.361 3.772 10 0 DHAERO CCc1csc([C@@H]2CCC[N@H+](Cc3ncc(C)s3)C2)n1 ZINC000180460649 522112343 /nfs/dbraw/zinc/11/23/43/522112343.db2.gz UKUCAOPKDVYIDH-GFCCVEGCSA-N 1 0 307.488 3.850 10 0 DHAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000188142253 522513047 /nfs/dbraw/zinc/51/30/47/522513047.db2.gz FAXIQVXFPSBNET-WFASDCNBSA-N 1 0 318.852 3.722 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1ccc(C)cc1 ZINC000180522266 522760589 /nfs/dbraw/zinc/76/05/89/522760589.db2.gz GGXHFBKQCQQSJO-IRXDYDNUSA-N 1 0 312.461 3.766 10 0 DHAERO CCn1cnnc1C1CC[NH+]([C@H](C)c2cc(F)ccc2F)CC1 ZINC000105928441 523584760 /nfs/dbraw/zinc/58/47/60/523584760.db2.gz SYKOFWRHCKSBCI-GFCCVEGCSA-N 1 0 320.387 3.517 10 0 DHAERO CN1CCC([NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000161517650 523778741 /nfs/dbraw/zinc/77/87/41/523778741.db2.gz OUJJAFZHURBLAE-KRWDZBQOSA-N 1 0 300.446 3.507 10 0 DHAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000180522044 524047147 /nfs/dbraw/zinc/04/71/47/524047147.db2.gz MBTZSPXCXHZXKD-WMLDXEAASA-N 1 0 312.461 3.630 10 0 DHAERO C[C@@H](CC(=O)N[C@@H](C)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000147947493 524379724 /nfs/dbraw/zinc/37/97/24/524379724.db2.gz DSTHPFBHPXDMSP-KCQAQPDRSA-N 1 0 308.853 3.543 10 0 DHAERO Cc1cccc(COc2cccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)c2)c1 ZINC000237658037 524450223 /nfs/dbraw/zinc/45/02/23/524450223.db2.gz PNZIJOKXCXNOGI-SJORKVTESA-N 1 0 324.424 3.640 10 0 DHAERO C[C@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCCO1 ZINC000161946619 525486936 /nfs/dbraw/zinc/48/69/36/525486936.db2.gz IFGGGTMXZFTNST-IINYFYTJSA-N 1 0 324.396 3.745 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)s1 ZINC000130260132 525608375 /nfs/dbraw/zinc/60/83/75/525608375.db2.gz WLHAFSNYFLJVJM-RYUDHWBXSA-N 1 0 322.865 3.511 10 0 DHAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)o1 ZINC000158175490 525740193 /nfs/dbraw/zinc/74/01/93/525740193.db2.gz HPQMKVLDDDLNHT-DZGCQCFKSA-N 1 0 300.402 3.680 10 0 DHAERO Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000228080613 525766304 /nfs/dbraw/zinc/76/63/04/525766304.db2.gz JEDMMQDJFWIMHU-IINYFYTJSA-N 1 0 308.834 3.587 10 0 DHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(=O)N(C)c2ccccc2)o1 ZINC000158175941 525940598 /nfs/dbraw/zinc/94/05/98/525940598.db2.gz HPQMKVLDDDLNHT-HIFRSBDPSA-N 1 0 300.402 3.680 10 0 DHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc1C ZINC000180514778 525946092 /nfs/dbraw/zinc/94/60/92/525946092.db2.gz VFRIYZFHRXHCRE-RDJZCZTQSA-N 1 0 312.461 3.684 10 0 DHAERO Cc1c2cccc(Cl)c2oc1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183335701 525972737 /nfs/dbraw/zinc/97/27/37/525972737.db2.gz CMCNWLJMTMJTJX-UHFFFAOYSA-N 1 0 320.820 3.514 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000189079682 527449830 /nfs/dbraw/zinc/44/98/30/527449830.db2.gz XMIUGJMKTDTDGP-OAHLLOKOSA-N 1 0 307.800 3.649 10 0 DHAERO CCc1c(C)[nH+]c2ccccc2c1N1CCC[C@H](n2cncn2)C1 ZINC000272230270 536071323 /nfs/dbraw/zinc/07/13/23/536071323.db2.gz PDCZYLHCZQZVOA-HNNXBMFYSA-N 1 0 321.428 3.539 10 0 DHAERO Cc1ccc(C)c([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675055672 563909912 /nfs/dbraw/zinc/90/99/12/563909912.db2.gz WEZVYCNLXYHQTN-ZBFHGGJFSA-N 1 0 304.434 3.621 10 0 DHAERO Cc1ccc(C)c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675055670 563909896 /nfs/dbraw/zinc/90/98/96/563909896.db2.gz WEZVYCNLXYHQTN-GOEBONIOSA-N 1 0 304.434 3.621 10 0 DHAERO [NH3+][C@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000050329837 563468334 /nfs/dbraw/zinc/46/83/34/563468334.db2.gz JGUQDGUZDUJLES-JTQLQIEISA-N 1 0 309.232 3.909 10 0 DHAERO CC(C)C[N@H+](Cc1ccccn1)C[C@@]1(c2ccccc2)CCOC1 ZINC000055199583 563472669 /nfs/dbraw/zinc/47/26/69/563472669.db2.gz DSJFKXVJOVESDL-NRFANRHFSA-N 1 0 324.468 3.898 10 0 DHAERO CC(C)[C@@H](C)[N@H+](Cc1ccco1)Cc1cccn1-c1ncccn1 ZINC000055344071 563474286 /nfs/dbraw/zinc/47/42/86/563474286.db2.gz WZJHPAHZZPWULG-MRXNPFEDSA-N 1 0 324.428 3.907 10 0 DHAERO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593064 563495857 /nfs/dbraw/zinc/49/58/57/563495857.db2.gz IBDBUXNMQVARBX-YQQAZPJKSA-N 1 0 318.461 3.953 10 0 DHAERO c1ccc2[nH]c(SC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)nc2c1 ZINC000033435711 563724502 /nfs/dbraw/zinc/72/45/02/563724502.db2.gz AVHMUPJYYXTAQW-CJNGLKHVSA-N 1 0 301.459 3.920 10 0 DHAERO O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3ccsc3)[N@@H+]3CCC[C@@]123 ZINC000012570493 563801948 /nfs/dbraw/zinc/80/19/48/563801948.db2.gz QGSRHXLFRLJJTD-IEZWGBDMSA-N 1 0 324.449 3.691 10 0 DHAERO Cc1cc(C)cc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675052777 563855860 /nfs/dbraw/zinc/85/58/60/563855860.db2.gz FCLOVKJKIGZFJS-HOTGVXAUSA-N 1 0 304.434 3.621 10 0 DHAERO CCc1cccc([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675055825 563910116 /nfs/dbraw/zinc/91/01/16/563910116.db2.gz ZBTYPFOYMUIKQY-JKSUJKDBSA-N 1 0 304.434 3.648 10 0 DHAERO CCn1c2ncccc2nc1[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000065285331 568419419 /nfs/dbraw/zinc/41/94/19/568419419.db2.gz GJRXYPAQWZXPPO-HNNXBMFYSA-N 1 0 324.403 3.580 10 0 DHAERO c1[nH]nc2c1C[C@H]([NH2+][C@H]1CC3(CCCC3)Oc3ccccc31)CC2 ZINC000090454394 1032399626 /nfs/dbraw/zinc/39/96/26/1032399626.db2.gz YNDBVTGTRPTKID-QAPCUYQASA-N 1 0 323.440 3.693 10 0 DHAERO COc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1OC ZINC000092788817 1032511270 /nfs/dbraw/zinc/51/12/70/1032511270.db2.gz KULOOFRIVWVPSM-AWEZNQCLSA-N 1 0 318.442 3.540 10 0 DHAERO c1csc(C2=CC[N@H+](Cc3c[nH]nc3-c3cccnc3)CC2)c1 ZINC000093533808 1032542335 /nfs/dbraw/zinc/54/23/35/1032542335.db2.gz NYLQULLKZVNQKC-UHFFFAOYSA-N 1 0 322.437 3.823 10 0 DHAERO COc1ccc([C@H]2C[C@@H](C)N(Cc3nccn3C(F)F)C2)cc1 ZINC000076390363 1030790694 /nfs/dbraw/zinc/79/06/94/1030790694.db2.gz BRUTYWSNOPWNCJ-OCCSQVGLSA-N 1 0 321.371 3.665 10 0 DHAERO CCC[N@@H+]1CCCN(C(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000078671505 1031011665 /nfs/dbraw/zinc/01/16/65/1031011665.db2.gz HJJHRGCVCLAKQT-UHFFFAOYSA-N 1 0 317.477 3.934 10 0 DHAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000095752103 185383900 /nfs/dbraw/zinc/38/39/00/185383900.db2.gz FZVRIXFFTSQUQB-INIZCTEOSA-N 1 0 318.461 3.866 10 0 DHAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000090227192 185287554 /nfs/dbraw/zinc/28/75/54/185287554.db2.gz BWYWLRFXVRROOK-ZWKOTPCHSA-N 1 0 312.461 3.668 10 0 DHAERO CC[NH+](CC)Cc1cccc(-c2c[nH]c(=O)c3cccc(O)c32)c1 ZINC000090450415 185297195 /nfs/dbraw/zinc/29/71/95/185297195.db2.gz VKRJFKQEVQANEH-UHFFFAOYSA-N 1 0 322.408 3.743 10 0 DHAERO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)CC2)cc1 ZINC000072164853 191065531 /nfs/dbraw/zinc/06/55/31/191065531.db2.gz AUYCQGRMOLGPHH-IBGZPJMESA-N 1 0 316.445 3.617 10 0 DHAERO Cc1cccc([C@@H](Cn2ccnc2-c2cccc(O)c2)[NH+](C)C)c1 ZINC000072408893 191153325 /nfs/dbraw/zinc/15/33/25/191153325.db2.gz RDIZRHJVFODWDV-LJQANCHMSA-N 1 0 321.424 3.867 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 ZINC000236805119 202018382 /nfs/dbraw/zinc/01/83/82/202018382.db2.gz NFTNUXRFYGNKNR-QGZVFWFLSA-N 1 0 314.385 3.553 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC000236818690 202024469 /nfs/dbraw/zinc/02/44/69/202024469.db2.gz PYERQPVPOJVEFM-CQSZACIVSA-N 1 0 314.433 3.607 10 0 DHAERO Cc1ccc(COc2c3ccccc3nc3c2C[NH2+]CC3)cc1 ZINC000085345718 192492005 /nfs/dbraw/zinc/49/20/05/192492005.db2.gz YJCOZOXVUIKZFF-UHFFFAOYSA-N 1 0 304.393 3.768 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N(CCC)[C@H](C)c1cc2ccccc2o1 ZINC000236900197 202061481 /nfs/dbraw/zinc/06/14/81/202061481.db2.gz RFWROGXWZUVHFD-UKRRQHHQSA-N 1 0 302.418 3.860 10 0 DHAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000236906710 202064712 /nfs/dbraw/zinc/06/47/12/202064712.db2.gz QYUFTCKXLLDPEH-KBXCAEBGSA-N 1 0 311.429 3.611 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000236926224 202075662 /nfs/dbraw/zinc/07/56/62/202075662.db2.gz SVOJSIKIACZOGR-QFBILLFUSA-N 1 0 322.408 3.766 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(SC)cc2)cs1 ZINC000236959774 202096166 /nfs/dbraw/zinc/09/61/66/202096166.db2.gz KRFPOSKBROWVNY-LBPRGKRZSA-N 1 0 321.471 3.598 10 0 DHAERO C[C@H](c1cccs1)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000095089004 193421462 /nfs/dbraw/zinc/42/14/62/193421462.db2.gz YUHQGFFGBROVML-GFCCVEGCSA-N 1 0 310.463 3.798 10 0 DHAERO Oc1ccc2c(c1)O[C@H](C[NH2+]CCCCc1ccccc1)CC2 ZINC000013775955 181894697 /nfs/dbraw/zinc/89/46/97/181894697.db2.gz FIKHCMJSJBBEJM-IBGZPJMESA-N 1 0 311.425 3.698 10 0 DHAERO CCCN(CCC)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000019393091 182121094 /nfs/dbraw/zinc/12/10/94/182121094.db2.gz JKXOPCJGLHFTKD-SNVBAGLBSA-N 1 0 305.285 3.632 10 0 DHAERO C[N@H+]([C@@H](CN)c1cccc(Br)c1)C1CCCCC1 ZINC000019516696 182127363 /nfs/dbraw/zinc/12/73/63/182127363.db2.gz KGEMJHYQFCJGIZ-HNNXBMFYSA-N 1 0 311.267 3.713 10 0 DHAERO C[C@@H]([NH3+])c1ccc(Sc2nnc(C3CC3)n2C2CC2)cc1 ZINC000019873929 182158962 /nfs/dbraw/zinc/15/89/62/182158962.db2.gz SHOQZHNRTJIXSA-SNVBAGLBSA-N 1 0 300.431 3.661 10 0 DHAERO [NH3+][C@@H](c1ccc2c(c1)CCO2)c1cc(Br)ccc1F ZINC000019971137 182171334 /nfs/dbraw/zinc/17/13/34/182171334.db2.gz FHAYKWYJPRPLKF-HNNXBMFYSA-N 1 0 322.177 3.571 10 0 DHAERO [NH3+][C@H](c1ccc2c(c1)CCO2)c1ccc(Br)cc1F ZINC000019971142 182171514 /nfs/dbraw/zinc/17/15/14/182171514.db2.gz DHCNUVPXUFMJJI-OAHLLOKOSA-N 1 0 322.177 3.571 10 0 DHAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000020081994 182185208 /nfs/dbraw/zinc/18/52/08/182185208.db2.gz JNVVRBOYPAFXPV-INIZCTEOSA-N 1 0 319.246 3.975 10 0 DHAERO C[N@H+]([C@H](CN)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000020081712 182185439 /nfs/dbraw/zinc/18/54/39/182185439.db2.gz KFLFKWVVXNXUOQ-OAHLLOKOSA-N 1 0 300.368 3.970 10 0 DHAERO Cc1cccc(CN(C)[C@@H](C[NH3+])c2c(F)cccc2Cl)c1 ZINC000020226272 182198805 /nfs/dbraw/zinc/19/88/05/182198805.db2.gz PIUJAEYLJPYMGW-INIZCTEOSA-N 1 0 306.812 3.919 10 0 DHAERO C[C@@H]([NH3+])[C@H](C)C(=O)N(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000192015988 335022444 /nfs/dbraw/zinc/02/24/44/335022444.db2.gz QLIJUNYNWCJBAN-UONOGXRCSA-N 1 0 316.832 3.857 10 0 DHAERO Cc1nc(Cc2ccc(Cl)cc2Cl)sc1CC[NH3+] ZINC000020273826 182202547 /nfs/dbraw/zinc/20/25/47/182202547.db2.gz SLRHQIKKXYRBQG-UHFFFAOYSA-N 1 0 301.242 3.850 10 0 DHAERO [NH3+]C[C@@H](c1cc(Br)cs1)N1CCCCCCC1 ZINC000020475273 182221630 /nfs/dbraw/zinc/22/16/30/182221630.db2.gz XTCHBNBLINRQML-LBPRGKRZSA-N 1 0 317.296 3.777 10 0 DHAERO C[C@@H](c1cc2cc(Br)ccc2o1)N1CCC([NH3+])CC1 ZINC000020521530 182226271 /nfs/dbraw/zinc/22/62/71/182226271.db2.gz KXLBKQGNMZXVPB-JTQLQIEISA-N 1 0 323.234 3.679 10 0 DHAERO COc1cccc([C@@H]([NH3+])c2ccc(OC)c(Br)c2)c1 ZINC000020522138 182226859 /nfs/dbraw/zinc/22/68/59/182226859.db2.gz GHMYHULWIUNOIZ-OAHLLOKOSA-N 1 0 322.202 3.514 10 0 DHAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1ccccc1F ZINC000020586768 182235862 /nfs/dbraw/zinc/23/58/62/182235862.db2.gz ZVPPCLHVCBVERP-AWEZNQCLSA-N 1 0 310.166 3.645 10 0 DHAERO Cc1ccc(COc2ccccc2CNCCC[NH+](C)C)cc1 ZINC000020873631 182250784 /nfs/dbraw/zinc/25/07/84/182250784.db2.gz SHCYYUCPXQAHQY-UHFFFAOYSA-N 1 0 312.457 3.615 10 0 DHAERO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020967774 182257320 /nfs/dbraw/zinc/25/73/20/182257320.db2.gz GWGXUNQMBHFOIL-GFCCVEGCSA-N 1 0 317.260 3.576 10 0 DHAERO O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000021792843 182289886 /nfs/dbraw/zinc/28/98/86/182289886.db2.gz KASWGWYGTZJLNC-JTQLQIEISA-N 1 0 307.608 3.727 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1cccnc1 ZINC000022931686 182342220 /nfs/dbraw/zinc/34/22/20/182342220.db2.gz AOSUEMOFMUFXPO-QGZVFWFLSA-N 1 0 315.486 3.630 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)CC1CCCC1 ZINC000022931677 182342651 /nfs/dbraw/zinc/34/26/51/182342651.db2.gz FSETWHNDOFCWNN-LJQANCHMSA-N 1 0 301.478 3.558 10 0 DHAERO C#[N+][C@@H](c1c(F)cccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000038534299 183001724 /nfs/dbraw/zinc/00/17/24/183001724.db2.gz AVUGBGJHWZSFIH-OAHLLOKOSA-N 1 0 308.329 3.708 10 0 DHAERO CC[NH2+][C@@H](C)c1cnn(-c2ccc(Br)cc2)c1C ZINC000040932733 183149315 /nfs/dbraw/zinc/14/93/15/183149315.db2.gz HJLDMKRTYNLHIR-JTQLQIEISA-N 1 0 308.223 3.614 10 0 DHAERO C[C@H]1CCC[N@H+](CC[C@H](O)c2ccc(Br)cc2)C1 ZINC000041145227 183175872 /nfs/dbraw/zinc/17/58/72/183175872.db2.gz ZZYHSYLTVRWVEJ-WFASDCNBSA-N 1 0 312.251 3.605 10 0 DHAERO C[C@@H]1CCC[C@H](N(C)c2cc(Br)ccc2C[NH3+])C1 ZINC000042493954 183276916 /nfs/dbraw/zinc/27/69/16/183276916.db2.gz HZHCRKKBWDLSGQ-RISCZKNCSA-N 1 0 311.267 3.923 10 0 DHAERO CCCCCN(C(C)C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000042555095 183284227 /nfs/dbraw/zinc/28/42/27/183284227.db2.gz SLFFKSFJKPLGRD-GFCCVEGCSA-N 1 0 317.271 3.943 10 0 DHAERO CC(C)C[C@@H](C)[N@H+](C)[C@@H](CN)c1cccc(Br)c1 ZINC000042563518 183285390 /nfs/dbraw/zinc/28/53/90/183285390.db2.gz SRQOLQZZAOQNSX-DOMZBBRYSA-N 1 0 313.283 3.815 10 0 DHAERO CC(C)N(CC1CC1)[C@@H](C[NH3+])c1ccccc1Br ZINC000042580504 183287098 /nfs/dbraw/zinc/28/70/98/183287098.db2.gz LPKQHSQSOYIAGQ-HNNXBMFYSA-N 1 0 311.267 3.569 10 0 DHAERO C[C@H]1CCCC[C@H]1N(C)c1cc(Br)ccc1C[NH3+] ZINC000042609456 183290771 /nfs/dbraw/zinc/29/07/71/183290771.db2.gz NDBNARXJSAAAOY-SMDDNHRTSA-N 1 0 311.267 3.923 10 0 DHAERO CN(Cc1cscn1)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000042863497 183314790 /nfs/dbraw/zinc/31/47/90/183314790.db2.gz MYLQFRSTZVEFMK-LBPRGKRZSA-N 1 0 316.257 3.582 10 0 DHAERO CN(Cc1cscn1)[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000042863807 183315069 /nfs/dbraw/zinc/31/50/69/183315069.db2.gz CMBDJXYNWRIMRC-CYBMUJFWSA-N 1 0 316.257 3.582 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCC(C)CC1 ZINC000042951671 183321043 /nfs/dbraw/zinc/32/10/43/183321043.db2.gz XRJYBVOVDGCWGP-IUODEOHRSA-N 1 0 311.267 3.569 10 0 DHAERO CCC[N@H+](C(C)C)[C@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952871 183322037 /nfs/dbraw/zinc/32/20/37/183322037.db2.gz WSMBTBZDWUPJFH-DOMZBBRYSA-N 1 0 313.283 3.958 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](SCCOC)c1ccc(Br)cc1 ZINC000042959469 183323775 /nfs/dbraw/zinc/32/37/75/183323775.db2.gz ZSAMGYGLVOMWHR-OLZOCXBDSA-N 1 0 318.280 3.607 10 0 DHAERO C[C@@H](N)[C@H](c1cccc(Br)c1)[N@H+](C)C1CCCC1 ZINC000043020337 183328453 /nfs/dbraw/zinc/32/84/53/183328453.db2.gz LUUVWZFOCVTCHI-IAQYHMDHSA-N 1 0 311.267 3.712 10 0 DHAERO CCCN([C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+])C1CC1 ZINC000043020359 183328703 /nfs/dbraw/zinc/32/87/03/183328703.db2.gz KSAYXUPJZIEVLU-IAQYHMDHSA-N 1 0 311.267 3.712 10 0 DHAERO CC[C@H](C)[N@H+](CC)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020403 183328808 /nfs/dbraw/zinc/32/88/08/183328808.db2.gz HGEBNLODJUTFLT-YWPYICTPSA-N 1 0 313.283 3.958 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCC[C@@H]1C ZINC000043021028 183329399 /nfs/dbraw/zinc/32/93/99/183329399.db2.gz ILIMWBRAZWUPAK-TUKIKUTGSA-N 1 0 311.267 3.712 10 0 DHAERO CC(C)CCN(C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021228 183329532 /nfs/dbraw/zinc/32/95/32/183329532.db2.gz DFEZPEUWZVCDOX-IUODEOHRSA-N 1 0 313.283 3.815 10 0 DHAERO Cc1nn([C@@H](c2cccc(Br)c2)[C@H](C)[NH3+])c(C)c1C ZINC000043022212 183329663 /nfs/dbraw/zinc/32/96/63/183329663.db2.gz WBNDHTLCLLRJAY-ZUZCIYMTSA-N 1 0 322.250 3.507 10 0 DHAERO Cc1ccc(O[C@H](C[NH3+])c2cccc(Br)c2)cc1 ZINC000043022787 183330296 /nfs/dbraw/zinc/33/02/96/183330296.db2.gz HBHOCUCSZGLVME-OAHLLOKOSA-N 1 0 306.203 3.836 10 0 DHAERO CC[C@H]([NH3+])[C@@H](OCC(C)C)c1cccc(Br)c1 ZINC000043022902 183330417 /nfs/dbraw/zinc/33/04/17/183330417.db2.gz UBTGIVWXNYNFDX-KBPBESRZSA-N 1 0 300.240 3.900 10 0 DHAERO [NH3+]C[C@H](Oc1ccc(Br)cc1F)c1cccs1 ZINC000043110597 183338081 /nfs/dbraw/zinc/33/80/81/183338081.db2.gz DMPQFVXFLOFSGU-NSHDSACASA-N 1 0 316.195 3.729 10 0 DHAERO COc1ccccc1[C@@H](C[NH3+])Oc1ccccc1Br ZINC000043099677 183338159 /nfs/dbraw/zinc/33/81/59/183338159.db2.gz OOMFIYUEPBXABM-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1Br)c1cccs1 ZINC000043110044 183338341 /nfs/dbraw/zinc/33/83/41/183338341.db2.gz PGMJPTXURLSULJ-TVQRCGJNSA-N 1 0 312.232 3.978 10 0 DHAERO CCCCN(C)[C@@H](c1ccccc1Br)[C@H]([NH3+])CC ZINC000043090944 183335926 /nfs/dbraw/zinc/33/59/26/183335926.db2.gz WNJGBURUARDALO-CABCVRRESA-N 1 0 313.283 3.959 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)C1CCCC1 ZINC000043091257 183335991 /nfs/dbraw/zinc/33/59/91/183335991.db2.gz NWQPBUXFCIDTLM-NHYWBVRUSA-N 1 0 311.267 3.712 10 0 DHAERO CCC(CC)N(C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091752 183336089 /nfs/dbraw/zinc/33/60/89/183336089.db2.gz XRGMCVCEDLUMHW-ABAIWWIYSA-N 1 0 313.283 3.958 10 0 DHAERO CCc1cccc(CC)c1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104976717 194061709 /nfs/dbraw/zinc/06/17/09/194061709.db2.gz FOVHWDQCCFLYIC-QGZVFWFLSA-N 1 0 315.461 3.513 10 0 DHAERO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105899331 194164908 /nfs/dbraw/zinc/16/49/08/194164908.db2.gz NESZUWDVQGDJOV-DOMZBBRYSA-N 1 0 324.350 3.695 10 0 DHAERO C[NH2+][C@H](CCCOc1ccc(Br)cc1)C(C)C ZINC000049596899 183745843 /nfs/dbraw/zinc/74/58/43/183745843.db2.gz KXEJTZZCAWVVOT-CQSZACIVSA-N 1 0 300.240 3.852 10 0 DHAERO CCC[NH2+]CCC[C@@H](C)n1nc(C)c(Br)c1C ZINC000052573668 183865298 /nfs/dbraw/zinc/86/52/98/183865298.db2.gz VUFKENZUJMZYFM-SNVBAGLBSA-N 1 0 302.260 3.603 10 0 DHAERO C[NH2+]Cc1ccccc1COc1ccccc1Br ZINC000052647560 183867638 /nfs/dbraw/zinc/86/76/38/183867638.db2.gz PDWGLTVKBXGQTI-UHFFFAOYSA-N 1 0 306.203 3.748 10 0 DHAERO CC[NH2+]C[C@@H](C)Oc1ccc2ccccc2c1Br ZINC000052703031 183868826 /nfs/dbraw/zinc/86/88/26/183868826.db2.gz SCHDMPDSEWOJAM-LLVKDONJSA-N 1 0 308.219 3.979 10 0 DHAERO COc1ccc([C@H]([NH3+])Cc2ccc(Br)s2)cc1 ZINC000053787937 183912613 /nfs/dbraw/zinc/91/26/13/183912613.db2.gz PRZMWPOWKYDYCI-GFCCVEGCSA-N 1 0 312.232 3.762 10 0 DHAERO [NH3+]CCCNc1nc(-c2ccc3ccccc3c2)nc2c1CCC2 ZINC000057328880 184033562 /nfs/dbraw/zinc/03/35/62/184033562.db2.gz FHMIOPWIPBHOAY-UHFFFAOYSA-N 1 0 318.424 3.546 10 0 DHAERO Cc1ccc(N[C@H](C[NH3+])c2cccc(Br)c2)cc1 ZINC000057634087 184042855 /nfs/dbraw/zinc/04/28/55/184042855.db2.gz GNEMNBCFMASQPR-OAHLLOKOSA-N 1 0 305.219 3.869 10 0 DHAERO [NH3+][C@@H](Cc1cccs1)Cc1cc(F)ccc1Br ZINC000060706585 184154564 /nfs/dbraw/zinc/15/45/64/184154564.db2.gz FBMRHMTVBUEKOL-LLVKDONJSA-N 1 0 314.223 3.762 10 0 DHAERO [NH3+][C@H](Cc1cccs1)Cc1cc(Br)ccc1F ZINC000060706543 184154575 /nfs/dbraw/zinc/15/45/75/184154575.db2.gz DKWLCLDWLBZICF-NSHDSACASA-N 1 0 314.223 3.762 10 0 DHAERO Cc1cnc(Sc2ccc([C@H](C)[NH3+])cc2Br)nc1 ZINC000061700374 184183808 /nfs/dbraw/zinc/18/38/08/184183808.db2.gz CAIBFOULZWWMLT-VIFPVBQESA-N 1 0 324.247 3.718 10 0 DHAERO CCCCOCCOc1ccc([C@H](C)[NH3+])cc1Br ZINC000061699228 184183973 /nfs/dbraw/zinc/18/39/73/184183973.db2.gz NIFYOZZWMKOCEO-NSHDSACASA-N 1 0 316.239 3.664 10 0 DHAERO CC(C)(C)[NH2+]Cc1ccc(Br)cc1N1CCCC1 ZINC000062734062 184251450 /nfs/dbraw/zinc/25/14/50/184251450.db2.gz NOSPCUOATKGONU-UHFFFAOYSA-N 1 0 311.267 3.937 10 0 DHAERO CC(C)C[NH2+]Cc1cnc(-c2ccc(Br)cc2)[nH]1 ZINC000062821634 184253883 /nfs/dbraw/zinc/25/38/83/184253883.db2.gz NACYFMBCPBLIMC-UHFFFAOYSA-N 1 0 308.223 3.585 10 0 DHAERO CN(Cc1ccccc1Br)C(=[NH2+])c1ccccc1 ZINC000062992941 184264706 /nfs/dbraw/zinc/26/47/06/184264706.db2.gz IOUGGHRHEQIEOU-UHFFFAOYSA-N 1 0 303.203 3.906 10 0 DHAERO CC1(C)CCC[N@@H+]1CC[C@@H](O)c1ccccc1Br ZINC000063073608 184269229 /nfs/dbraw/zinc/26/92/29/184269229.db2.gz FPMZAYNPPZUOQS-CQSZACIVSA-N 1 0 312.251 3.747 10 0 DHAERO Cc1nn(C)c(C)c1C[N@H+](Cc1ccnc2ccccc12)C1CC1 ZINC000065497477 184355043 /nfs/dbraw/zinc/35/50/43/184355043.db2.gz ZBATYIFBMJISDQ-UHFFFAOYSA-N 1 0 320.440 3.750 10 0 DHAERO [NH3+][C@H]1CCC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000262014001 331788692 /nfs/dbraw/zinc/78/86/92/331788692.db2.gz WUBVQHGVINRBAE-PWSUYJOCSA-N 1 0 311.307 3.740 10 0 DHAERO [NH3+][C@@H]1CCC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000262014002 331788722 /nfs/dbraw/zinc/78/87/22/331788722.db2.gz WUBVQHGVINRBAE-ZYHUDNBSSA-N 1 0 311.307 3.740 10 0 DHAERO C[C@@H](NC(=O)C1(C[NH3+])CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000127909871 332008886 /nfs/dbraw/zinc/00/88/86/332008886.db2.gz NXNKXVZRTBSXIB-SNVBAGLBSA-N 1 0 315.244 3.690 10 0 DHAERO CSc1cccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000130033249 332021919 /nfs/dbraw/zinc/02/19/19/332021919.db2.gz SSQHFVRMOQEHQU-LRDDRELGSA-N 1 0 300.427 3.683 10 0 DHAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000180136567 333027203 /nfs/dbraw/zinc/02/72/03/333027203.db2.gz JZPHQJKTQJMQGY-HZPDHXFCSA-N 1 0 323.440 3.829 10 0 DHAERO Cc1ccccc1[C@H]([NH2+]CCCC(=O)N(C)C)c1ccccc1 ZINC000180299596 333027544 /nfs/dbraw/zinc/02/75/44/333027544.db2.gz WMVAVJOEXJRFQD-HXUWFJFHSA-N 1 0 310.441 3.542 10 0 DHAERO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000188648205 333051122 /nfs/dbraw/zinc/05/11/22/333051122.db2.gz USPMXLYZHRHEKM-HNNXBMFYSA-N 1 0 309.523 3.641 10 0 DHAERO Cc1cnn([C@H]2CCCN(Cc3cc(F)ccc3Cl)C2)c1 ZINC000188966373 333058736 /nfs/dbraw/zinc/05/87/36/333058736.db2.gz BMTSJCRPXNXNCI-HNNXBMFYSA-N 1 0 307.800 3.821 10 0 DHAERO c1ccc2c(c1)OC1(CCCC1)C[C@H]2[NH2+]C[C@H]1CCCOC1 ZINC000178430564 333138395 /nfs/dbraw/zinc/13/83/95/333138395.db2.gz ZFOCKQDVSBQOHS-NVXWUHKLSA-N 1 0 301.430 3.839 10 0 DHAERO CCCn1cc(C[NH2+][C@H](C)c2cccc(Br)c2)cn1 ZINC000116912834 333189434 /nfs/dbraw/zinc/18/94/34/333189434.db2.gz NIKZCJKNYPVGEV-GFCCVEGCSA-N 1 0 322.250 3.906 10 0 DHAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)Cc1ccccc1F ZINC000390511572 333288056 /nfs/dbraw/zinc/28/80/56/333288056.db2.gz ASMIUMUMZPBERY-HZPDHXFCSA-N 1 0 301.405 3.952 10 0 DHAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000390577067 333302568 /nfs/dbraw/zinc/30/25/68/333302568.db2.gz GDIQFAWUHLEDFL-HUUCEWRRSA-N 1 0 313.397 3.671 10 0 DHAERO CCSCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000390572985 333302848 /nfs/dbraw/zinc/30/28/48/333302848.db2.gz NSVLQCYLKLCUIR-ZDUSSCGKSA-N 1 0 300.265 3.779 10 0 DHAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)COCc1ccccc1)CC2 ZINC000390580229 333303707 /nfs/dbraw/zinc/30/37/07/333303707.db2.gz IKMVXLBYYHPQLN-QRWLVFNGSA-N 1 0 311.425 3.877 10 0 DHAERO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000020564355 333323638 /nfs/dbraw/zinc/32/36/38/333323638.db2.gz UNSSYMAABMEVHL-LBPRGKRZSA-N 1 0 303.789 3.977 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000040502180 333353467 /nfs/dbraw/zinc/35/34/67/333353467.db2.gz LIUMMTFHNHPCGQ-QWHCGFSZSA-N 1 0 300.368 3.840 10 0 DHAERO C[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1cc(Cl)ccc1Cl ZINC000186179102 333372285 /nfs/dbraw/zinc/37/22/85/333372285.db2.gz KVNXDDXYWVITAX-PWSUYJOCSA-N 1 0 320.260 3.820 10 0 DHAERO CCc1nc(C)c([C@@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)s1 ZINC000188660613 333384505 /nfs/dbraw/zinc/38/45/05/333384505.db2.gz SWEDJYDTEQXDSI-PXAZEXFGSA-N 1 0 310.507 3.996 10 0 DHAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccc(C)cc1)C1CCC1)CC2 ZINC000187328886 333429401 /nfs/dbraw/zinc/42/94/01/333429401.db2.gz CLNHTHNNFLSPOR-YLJYHZDGSA-N 1 0 324.472 3.595 10 0 DHAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049129419 334314941 /nfs/dbraw/zinc/31/49/41/334314941.db2.gz BERMTUZZEMQPKG-MNOVXSKESA-N 1 0 302.871 3.747 10 0 DHAERO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)s2)cc1 ZINC000049129527 334315301 /nfs/dbraw/zinc/31/53/01/334315301.db2.gz IPBQHZNDQUDXAE-JTQLQIEISA-N 1 0 324.833 3.699 10 0 DHAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000101563168 334327509 /nfs/dbraw/zinc/32/75/09/334327509.db2.gz LIMMLJHMCFCFHA-UONOGXRCSA-N 1 0 308.853 3.782 10 0 DHAERO C(c1noc([C@H]2CCC[N@@H+]2C2CCOCC2)n1)C1CCCCC1 ZINC000333463241 336204094 /nfs/dbraw/zinc/20/40/94/336204094.db2.gz QANISJFMJGZUNN-MRXNPFEDSA-N 1 0 319.449 3.508 10 0 DHAERO Cc1ccoc1C(=O)NCCCNc1cc[nH+]c2c(C)cccc12 ZINC000301644433 336320372 /nfs/dbraw/zinc/32/03/72/336320372.db2.gz CLRVANOLSPUJEP-UHFFFAOYSA-N 1 0 323.396 3.677 10 0 DHAERO Cc1cc(N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c2cccc(F)c2n1 ZINC000301680935 336323168 /nfs/dbraw/zinc/32/31/68/336323168.db2.gz RWVFBQXWYMYELI-MORSLUCNSA-N 1 0 314.404 3.932 10 0 DHAERO CCC1(CC)CN(c2cc[nH+]c3c(C)cccc23)CC[S@]1=O ZINC000302227188 336355029 /nfs/dbraw/zinc/35/50/29/336355029.db2.gz UEENABWIWCZSLL-JOCHJYFZSA-N 1 0 316.470 3.671 10 0 DHAERO Cc1oc2ccccc2c1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000122086887 336992009 /nfs/dbraw/zinc/99/20/09/336992009.db2.gz DDOBLUJNCQIDBP-UHFFFAOYSA-N 1 0 309.413 3.850 10 0 DHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000122778461 337023795 /nfs/dbraw/zinc/02/37/95/337023795.db2.gz YHFLSQSUHPYUFI-GOSISDBHSA-N 1 0 323.440 3.650 10 0 DHAERO Cc1ccc(CN2CCO[C@@H](c3nccs3)C2)cc1Cl ZINC000193861131 337079654 /nfs/dbraw/zinc/07/96/54/337079654.db2.gz RHGWGMHWKBNENO-CQSZACIVSA-N 1 0 308.834 3.678 10 0 DHAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccn(C(C)C)n2)C12CCCC2 ZINC000172670152 337129427 /nfs/dbraw/zinc/12/94/27/337129427.db2.gz PSRAURWHLXTGIS-IRXDYDNUSA-N 1 0 305.466 3.634 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)cccc1F)c1cccs1 ZINC000172603678 337130382 /nfs/dbraw/zinc/13/03/82/337130382.db2.gz USYZCDYRFDMSSD-ZJUUUORDSA-N 1 0 310.369 3.704 10 0 DHAERO Cc1csc([C@H]2CCC[N@H+](Cc3cccc(Cl)n3)C2)n1 ZINC000173602397 337136769 /nfs/dbraw/zinc/13/67/69/337136769.db2.gz GGJDBQGDPFNIMJ-LBPRGKRZSA-N 1 0 307.850 3.880 10 0 DHAERO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1nc2ccccc2o1)c1ccccc1 ZINC000174378938 337141258 /nfs/dbraw/zinc/14/12/58/337141258.db2.gz JGEFJEZXXXYJJM-AEFFLSMTSA-N 1 0 322.408 3.916 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000176985631 337154026 /nfs/dbraw/zinc/15/40/26/337154026.db2.gz NCSHOFANTVBVRF-AWEZNQCLSA-N 1 0 320.820 3.643 10 0 DHAERO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1cccc(O)c1 ZINC000177299332 337156708 /nfs/dbraw/zinc/15/67/08/337156708.db2.gz YQGZJGPKGCDOEG-GJZGRUSLSA-N 1 0 307.397 3.990 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCSc1ccc(F)cc1 ZINC000178304628 337162091 /nfs/dbraw/zinc/16/20/91/337162091.db2.gz UXMHMAJBDSEBDR-INIZCTEOSA-N 1 0 319.449 3.587 10 0 DHAERO CCc1nccn1[C@@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000178107461 337162238 /nfs/dbraw/zinc/16/22/38/337162238.db2.gz WCOIZMHUHIAJSZ-MRXNPFEDSA-N 1 0 317.477 3.825 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000178321748 337163742 /nfs/dbraw/zinc/16/37/42/337163742.db2.gz XJUFGYHMZTURJP-INIZCTEOSA-N 1 0 323.362 3.875 10 0 DHAERO Cc1nn(C)cc1[C@@H](C)N[C@H](c1ccccc1)c1cccnc1 ZINC000178610017 337165426 /nfs/dbraw/zinc/16/54/26/337165426.db2.gz JGSHWISZUIIUIQ-AUUYWEPGSA-N 1 0 306.413 3.564 10 0 DHAERO Cc1nn(C)cc1[C@@H](C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000178610003 337165482 /nfs/dbraw/zinc/16/54/82/337165482.db2.gz JGSHWISZUIIUIQ-KUHUBIRLSA-N 1 0 306.413 3.564 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)CC2 ZINC000179682438 337170978 /nfs/dbraw/zinc/17/09/78/337170978.db2.gz LXFHXGCWJXLNMT-WDEREUQCSA-N 1 0 324.881 3.782 10 0 DHAERO CC(C)CCC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000180606526 337176664 /nfs/dbraw/zinc/17/66/64/337176664.db2.gz MMMHALNWHNNUFQ-MSOLQXFVSA-N 1 0 312.461 3.750 10 0 DHAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc3c(c1)CCC3)CC2 ZINC000180637708 337176801 /nfs/dbraw/zinc/17/68/01/337176801.db2.gz GAVLKRCWUVAUQS-KSSFIOAISA-N 1 0 324.472 3.556 10 0 DHAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000181359013 337181511 /nfs/dbraw/zinc/18/15/11/337181511.db2.gz ZYYKQDZMFBEGGT-ZWKOTPCHSA-N 1 0 305.462 3.684 10 0 DHAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H]1c1cnn(C)c1 ZINC000185295872 337203963 /nfs/dbraw/zinc/20/39/63/337203963.db2.gz SHWHEKVJSDLCFD-QGZVFWFLSA-N 1 0 306.413 3.927 10 0 DHAERO CCSc1cccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000186214073 337254584 /nfs/dbraw/zinc/25/45/84/337254584.db2.gz WARJVVUCAVBPNB-KRWDZBQOSA-N 1 0 301.459 3.869 10 0 DHAERO CCSc1cccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000186214049 337254652 /nfs/dbraw/zinc/25/46/52/337254652.db2.gz WARJVVUCAVBPNB-QGZVFWFLSA-N 1 0 301.459 3.869 10 0 DHAERO c1cc(C2CC[NH+](CCSCc3ccccc3)CC2)n[nH]1 ZINC000186420381 337256096 /nfs/dbraw/zinc/25/60/96/337256096.db2.gz LAKLXKOOTJPQLY-UHFFFAOYSA-N 1 0 301.459 3.523 10 0 DHAERO C[C@@H]([NH2+]CCCc1nc2ccccc2n1C)C1CCSCC1 ZINC000187348648 337264226 /nfs/dbraw/zinc/26/42/26/337264226.db2.gz WZNNYIKUQOAWAP-CQSZACIVSA-N 1 0 317.502 3.627 10 0 DHAERO C[C@H]([NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)c1nnc2n1CCCC2 ZINC000188089365 337270479 /nfs/dbraw/zinc/27/04/79/337270479.db2.gz DMJOKSRCUHKOSS-JQHSSLGASA-N 1 0 324.472 3.676 10 0 DHAERO Cc1ccc(C)c(C[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)c1 ZINC000188138221 337271006 /nfs/dbraw/zinc/27/10/06/337271006.db2.gz ZHJKSUILFARBHZ-MSOLQXFVSA-N 1 0 301.455 3.573 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC000188705204 337274432 /nfs/dbraw/zinc/27/44/32/337274432.db2.gz YIBPLZUHUBVKEM-GOSISDBHSA-N 1 0 300.446 3.510 10 0 DHAERO Cc1cc(C)c(NC(=O)C[NH2+][C@@H]2CCc3ccccc32)c(C)c1 ZINC000193252476 337309545 /nfs/dbraw/zinc/30/95/45/337309545.db2.gz AKOZXTFMXJLAQR-GOSISDBHSA-N 1 0 308.425 3.827 10 0 DHAERO COc1ccc(N[C@H]2CCCC[C@@H]2C(=O)N2CCCCC2)cc1 ZINC000584606285 337371705 /nfs/dbraw/zinc/37/17/05/337371705.db2.gz RNRFPCCSPSLMPE-ROUUACIJSA-N 1 0 316.445 3.678 10 0 DHAERO Fc1ccc(CCn2cncc2-c2cccc3c2C[NH2+]C3)cc1 ZINC000584619503 337373895 /nfs/dbraw/zinc/37/38/95/337373895.db2.gz TUTZHBMGPDQCNB-UHFFFAOYSA-N 1 0 307.372 3.535 10 0 DHAERO Cc1cccc(OC[C@@H](COCc2ccccc2)[NH2+]C(C)C)c1 ZINC000584627515 337376134 /nfs/dbraw/zinc/37/61/34/337376134.db2.gz UDTBGHIHXFUGEZ-LJQANCHMSA-N 1 0 313.441 3.957 10 0 DHAERO Clc1ccc(CC[NH2+]C[C@@H]2CCc3ccccc3N2)cc1 ZINC000584629919 337376559 /nfs/dbraw/zinc/37/65/59/337376559.db2.gz ASDKOBUJAMAVCB-KRWDZBQOSA-N 1 0 300.833 3.899 10 0 DHAERO CC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000584637149 337379339 /nfs/dbraw/zinc/37/93/39/337379339.db2.gz YGJDNTHRMJACHN-UXHICEINSA-N 1 0 309.409 3.564 10 0 DHAERO c1coc(-c2noc(CN3CC=C(c4ccccc4)CC3)n2)c1 ZINC000030635077 337390270 /nfs/dbraw/zinc/39/02/70/337390270.db2.gz HLRANEUVRMVHDL-UHFFFAOYSA-N 1 0 307.353 3.619 10 0 DHAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000035018869 337392531 /nfs/dbraw/zinc/39/25/31/337392531.db2.gz ZACCSMSLYUEFJW-NXEZZACHSA-N 1 0 303.233 3.559 10 0 DHAERO Clc1ccc([C@H]2C[C@H]2C[NH2+]Cc2cncnc2)c(Cl)c1 ZINC000123655085 337400261 /nfs/dbraw/zinc/40/02/61/337400261.db2.gz OCIIEXOAJBJOCT-FZMZJTMJSA-N 1 0 308.212 3.677 10 0 DHAERO CCn1cc(C2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cn1 ZINC000195501003 337467525 /nfs/dbraw/zinc/46/75/25/337467525.db2.gz OMCNYMNOOJTBPT-CQSZACIVSA-N 1 0 301.409 3.983 10 0 DHAERO CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1)C(C)C ZINC000072878331 337548750 /nfs/dbraw/zinc/54/87/50/337548750.db2.gz VPNMWEPJGDUHQS-OLZOCXBDSA-N 1 0 312.404 3.649 10 0 DHAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000247042576 337557299 /nfs/dbraw/zinc/55/72/99/337557299.db2.gz MUPSGVDHNVRHCX-SLEUVZQESA-N 1 0 317.458 3.732 10 0 DHAERO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248590493 337566010 /nfs/dbraw/zinc/56/60/10/337566010.db2.gz KUMPFJUPIINWPS-YRBFXIGRSA-N 1 0 318.461 3.684 10 0 DHAERO CN(C[C@H]1CCC[NH2+]C1)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000261803721 337610931 /nfs/dbraw/zinc/61/09/31/337610931.db2.gz HEQOYLURHNLSGF-SMDDNHRTSA-N 1 0 320.786 3.875 10 0 DHAERO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261812346 337611072 /nfs/dbraw/zinc/61/10/72/337611072.db2.gz RXWHLYRXHFYICT-YOKBYHGQSA-N 1 0 322.880 3.665 10 0 DHAERO Cc1c(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)sc2cccc(F)c12 ZINC000261871185 337611901 /nfs/dbraw/zinc/61/19/01/337611901.db2.gz OBWWHOLDFMFFIT-ZDUSSCGKSA-N 1 0 320.433 3.548 10 0 DHAERO C[C@@H]([NH3+])CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000261883187 337612058 /nfs/dbraw/zinc/61/20/58/337612058.db2.gz UOLDIKAFAPOZFG-QMTHXVAHSA-N 1 0 316.367 3.646 10 0 DHAERO [NH3+]C1(c2noc(-c3ccccc3SC(F)F)n2)CCCC1 ZINC000261905378 337612367 /nfs/dbraw/zinc/61/23/67/337612367.db2.gz ZASQTMVKPDWVRD-UHFFFAOYSA-N 1 0 311.357 3.779 10 0 DHAERO Cc1ccc([C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c2ccccc2)cc1 ZINC000261954559 337613262 /nfs/dbraw/zinc/61/32/62/337613262.db2.gz IJFSNDZGVDRQCN-VAMGGRTRSA-N 1 0 322.452 3.576 10 0 DHAERO CCc1ccccc1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000154072264 338236626 /nfs/dbraw/zinc/23/66/26/338236626.db2.gz XGYLVSBUTRVWAC-HNNXBMFYSA-N 1 0 319.408 3.926 10 0 DHAERO CC(C)Oc1ccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1Cl ZINC000167000060 339053402 /nfs/dbraw/zinc/05/34/02/339053402.db2.gz UZIPXRIWAYCZHK-MRXNPFEDSA-N 1 0 310.825 3.598 10 0 DHAERO C[C@@H]([NH2+]CCc1cccs1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400465588 340147429 /nfs/dbraw/zinc/14/74/29/340147429.db2.gz SVEVBDBXCRYXNY-ZIAGYGMSSA-N 1 0 324.490 3.526 10 0 DHAERO CC(C)c1nn(C)cc1N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000304070298 340359553 /nfs/dbraw/zinc/35/95/53/340359553.db2.gz DFVINNQZESQMHA-WBVHZDCISA-N 1 0 312.461 3.618 10 0 DHAERO C[C@@H]1C[C@H]1[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191509925 340555010 /nfs/dbraw/zinc/55/50/10/340555010.db2.gz SLBUUXCEARJNSG-HFBAOOFYSA-N 1 0 324.262 3.915 10 0 DHAERO CC(C)c1ccc([C@@H](C)NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1 ZINC000236693314 340663882 /nfs/dbraw/zinc/66/38/82/340663882.db2.gz CYFYFUGDSFCVKP-QRWLVFNGSA-N 1 0 310.441 3.861 10 0 DHAERO Clc1ccc(C[NH2+][C@H]2CCN(CCc3ccccc3)C2)s1 ZINC000071307331 341028852 /nfs/dbraw/zinc/02/88/52/341028852.db2.gz OIPBNVYLOWGFLQ-HNNXBMFYSA-N 1 0 320.889 3.808 10 0 DHAERO Fc1ccc2c(c1)[C@@H]([NH+]1CCC(Cn3cccn3)CC1)CCC2 ZINC000132668639 341138183 /nfs/dbraw/zinc/13/81/83/341138183.db2.gz FWNZIDXLIWZAEE-IBGZPJMESA-N 1 0 313.420 3.812 10 0 DHAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000077205765 341220421 /nfs/dbraw/zinc/22/04/21/341220421.db2.gz SBJQAYFJDYWQPN-GWCFXTLKSA-N 1 0 319.779 3.582 10 0 DHAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000077205769 341220437 /nfs/dbraw/zinc/22/04/37/341220437.db2.gz SBJQAYFJDYWQPN-ZWNOBZJWSA-N 1 0 319.779 3.582 10 0 DHAERO CC(C)OCCC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134847616 341225191 /nfs/dbraw/zinc/22/51/91/341225191.db2.gz FFBLSNYPEUQCDK-KRWDZBQOSA-N 1 0 307.409 3.678 10 0 DHAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000246039991 341322745 /nfs/dbraw/zinc/32/27/45/341322745.db2.gz NQPWHWRCAKOLOW-BMGDILEWSA-N 1 0 323.502 3.816 10 0 DHAERO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)C1CCCC1 ZINC000246300255 341340854 /nfs/dbraw/zinc/34/08/54/341340854.db2.gz CYSHFYZVNAHKIP-HLLBOEOZSA-N 1 0 322.518 3.678 10 0 DHAERO Cc1cc(C[C@H](C)[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)[nH]n1 ZINC000246308102 341341484 /nfs/dbraw/zinc/34/14/84/341341484.db2.gz DNXPLYWXLRWIIW-FTLABTOESA-N 1 0 301.409 3.701 10 0 DHAERO CN(CC[N@@H+]1CCCC[C@H]1c1nccs1)c1ccccc1 ZINC000246374718 341345255 /nfs/dbraw/zinc/34/52/55/341345255.db2.gz RCDBLJHCXVUMPZ-INIZCTEOSA-N 1 0 301.459 3.807 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247010243 341359875 /nfs/dbraw/zinc/35/98/75/341359875.db2.gz LDLFFURGAFXKAU-KKUMJFAQSA-N 1 0 317.502 3.862 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000247097778 341361008 /nfs/dbraw/zinc/36/10/08/341361008.db2.gz PWHJXHMMGHNKOB-YPMHNXCESA-N 1 0 316.367 3.562 10 0 DHAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000247948475 341371447 /nfs/dbraw/zinc/37/14/47/341371447.db2.gz DTELQIYWFJJPAP-GZBFAFLISA-N 1 0 313.388 3.798 10 0 DHAERO C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccn1 ZINC000248405162 341376856 /nfs/dbraw/zinc/37/68/56/341376856.db2.gz ANGFFOZOGBDJOQ-XFIJJGBISA-N 1 0 321.468 3.643 10 0 DHAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000248628500 341382121 /nfs/dbraw/zinc/38/21/21/341382121.db2.gz ZITIWCPPVYYTBQ-IXDOHACOSA-N 1 0 308.510 3.639 10 0 DHAERO CCCCOC[C@H](O)C[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000248650192 341382889 /nfs/dbraw/zinc/38/28/89/341382889.db2.gz LSQKYHZTNWHPFQ-SJORKVTESA-N 1 0 309.450 3.683 10 0 DHAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000248656552 341383006 /nfs/dbraw/zinc/38/30/06/341383006.db2.gz RRCSQEMYUZQEON-IRXDYDNUSA-N 1 0 311.853 3.655 10 0 DHAERO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](CC[C@H](C)CCC=C(C)C)C1 ZINC000248661908 341383732 /nfs/dbraw/zinc/38/37/32/341383732.db2.gz FVXZEEMAHMQZRA-DJIMGWMZSA-N 1 0 321.465 3.912 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)c2ccc(C)cc2)C12CCOCC2 ZINC000249034054 341392312 /nfs/dbraw/zinc/39/23/12/341392312.db2.gz TUTMKAVYYFJULA-YTQUADARSA-N 1 0 317.473 3.662 10 0 DHAERO Cc1csc([C@H]2C[N@H+](C[C@H]3C(C)=CCC[C@@H]3C)CCO2)n1 ZINC000249062902 341393028 /nfs/dbraw/zinc/39/30/28/341393028.db2.gz IFTPTIKCXBRJQD-CWRNSKLLSA-N 1 0 306.475 3.817 10 0 DHAERO CCC[C@@H](C(=O)Nc1nc(-c2cccs2)cs1)[NH+](C)C ZINC000156800781 341626456 /nfs/dbraw/zinc/62/64/56/341626456.db2.gz FFXXJKYIRJKJPZ-NSHDSACASA-N 1 0 309.460 3.540 10 0 DHAERO C[C@@H](COCc1ccccc1)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000340484787 341827769 /nfs/dbraw/zinc/82/77/69/341827769.db2.gz FBGYIVAWXDJYSN-YWZLYKJASA-N 1 0 311.425 3.965 10 0 DHAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000340484784 341827787 /nfs/dbraw/zinc/82/77/87/341827787.db2.gz FBGYIVAWXDJYSN-QRWLVFNGSA-N 1 0 311.425 3.965 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)COCc2ccccc2)C12CCC2 ZINC000344079772 341858245 /nfs/dbraw/zinc/85/82/45/341858245.db2.gz UOTQVURRMXZHIW-KBAYOESNSA-N 1 0 303.446 3.529 10 0 DHAERO C[C@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccc(Cl)s1 ZINC000311613008 533938625 /nfs/dbraw/zinc/93/86/25/533938625.db2.gz JUTHPRQKMNWUDE-QMMMGPOBSA-N 1 0 305.781 3.714 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CC[C@@H](C)c3ccccc31)CC2 ZINC000180520639 519897459 /nfs/dbraw/zinc/89/74/59/519897459.db2.gz PUZHMDNGPJQEOT-IIDMSEBBSA-N 1 0 324.472 3.945 10 0 DHAERO CC(C)n1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)cn1 ZINC000180241189 519950206 /nfs/dbraw/zinc/95/02/06/519950206.db2.gz IXARQAWALIPTAB-OALUTQOASA-N 1 0 313.445 3.552 10 0 DHAERO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)c1cccs1 ZINC000190102574 520593805 /nfs/dbraw/zinc/59/38/05/520593805.db2.gz DPAFRYGUCRRHDP-AWEZNQCLSA-N 1 0 311.495 3.573 10 0 DHAERO CCC[C@@H](C(=O)Nc1cccc(Oc2ccccn2)c1)[NH+](C)C ZINC000162362976 520599597 /nfs/dbraw/zinc/59/95/97/520599597.db2.gz DQEJIAITYKRPLU-INIZCTEOSA-N 1 0 313.401 3.543 10 0 DHAERO C[NH+](C)C[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000103584415 521858082 /nfs/dbraw/zinc/85/80/82/521858082.db2.gz DWQVJOJBSGHPRY-SFHVURJKSA-N 1 0 322.412 3.592 10 0 DHAERO C[NH+](C)[C@@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000181983497 522048887 /nfs/dbraw/zinc/04/88/87/522048887.db2.gz USXIVQKFDCFDKE-GOSISDBHSA-N 1 0 309.413 3.581 10 0 DHAERO CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171276 522930727 /nfs/dbraw/zinc/93/07/27/522930727.db2.gz YXGUHGFTAXIDIE-WMLDXEAASA-N 1 0 318.852 3.795 10 0 DHAERO CN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000226459559 523885186 /nfs/dbraw/zinc/88/51/86/523885186.db2.gz WKNDWYINUJMFHE-LLVKDONJSA-N 1 0 316.232 3.599 10 0 DHAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000180522441 524047264 /nfs/dbraw/zinc/04/72/64/524047264.db2.gz HRHORUQTPOCEOV-QWHCGFSZSA-N 1 0 318.490 3.691 10 0 DHAERO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c(C)c1 ZINC000190473747 524468032 /nfs/dbraw/zinc/46/80/32/524468032.db2.gz LSKCFDOXGOTJDR-FQEVSTJZSA-N 1 0 323.484 3.652 10 0 DHAERO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000156824770 525004145 /nfs/dbraw/zinc/00/41/45/525004145.db2.gz RULNBOHAPUAUQF-CHWSQXEVSA-N 1 0 300.427 3.760 10 0 DHAERO C[C@H]([NH2+]CCO[C@@H]1CCCCO1)c1ccc(F)c(Cl)c1 ZINC000193087262 525358396 /nfs/dbraw/zinc/35/83/96/525358396.db2.gz ZBWRRCXBJMROGR-XHDPSFHLSA-N 1 0 301.789 3.673 10 0 DHAERO C[C@@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)[C@H]1CCCO1 ZINC000183104273 525508654 /nfs/dbraw/zinc/50/86/54/525508654.db2.gz IDQFIUDYUKWFJM-CRAIPNDOSA-N 1 0 321.424 3.658 10 0 DHAERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000172871463 525536855 /nfs/dbraw/zinc/53/68/55/525536855.db2.gz VNXLSBKFUNNSPJ-AVGNSLFASA-N 1 0 320.433 3.804 10 0 DHAERO C[C@@H]([NH2+]Cc1csc(Nc2ccccc2)n1)[C@@H]1CCCO1 ZINC000183102953 525556959 /nfs/dbraw/zinc/55/69/59/525556959.db2.gz PQMHOIOPWPPXMV-DOMZBBRYSA-N 1 0 303.431 3.544 10 0 DHAERO C[C@@H]([NH2+]Cc1csc(-c2ccccc2F)n1)[C@@H]1CCCO1 ZINC000183123522 525557237 /nfs/dbraw/zinc/55/72/37/525557237.db2.gz PEKMJSJBYHLUHS-ABAIWWIYSA-N 1 0 306.406 3.606 10 0 DHAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c(C)c1 ZINC000180532622 525750781 /nfs/dbraw/zinc/75/07/81/525750781.db2.gz UMQDERKMIMKAMQ-CVEARBPZSA-N 1 0 312.461 3.684 10 0 DHAERO COc1cccc(CC[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)c1 ZINC000191180299 525900938 /nfs/dbraw/zinc/90/09/38/525900938.db2.gz NNIVTSPRVJQXSV-AWEZNQCLSA-N 1 0 315.461 3.848 10 0 DHAERO C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000237433815 526046475 /nfs/dbraw/zinc/04/64/75/526046475.db2.gz ZSDHVYGEBKITMT-XNRPHZJLSA-N 1 0 320.864 3.910 10 0 DHAERO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4cccnc4)C3)nc2c1 ZINC000130843692 526106557 /nfs/dbraw/zinc/10/65/57/526106557.db2.gz BUAQYALECNMDLC-MRXNPFEDSA-N 1 0 306.413 3.646 10 0 DHAERO O=C(N[C@@H](c1cccc(Cl)c1)C1CCCC1)C1CC[NH2+]CC1 ZINC000182642689 526868663 /nfs/dbraw/zinc/86/86/63/526868663.db2.gz VXEZXRQZXSUYDZ-QGZVFWFLSA-N 1 0 320.864 3.687 10 0 DHAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4)o3)C2)cn1 ZINC000128352490 527301826 /nfs/dbraw/zinc/30/18/26/527301826.db2.gz UKFHWXXADWMQLZ-MRXNPFEDSA-N 1 0 307.397 3.670 10 0 DHAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000246728831 527369300 /nfs/dbraw/zinc/36/93/00/527369300.db2.gz YCTVJUXPXIHGCP-USXIJHARSA-N 1 0 320.864 3.815 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC000180132044 527450375 /nfs/dbraw/zinc/45/03/75/527450375.db2.gz UHGDXASAJHORBN-CQSZACIVSA-N 1 0 307.800 3.649 10 0 DHAERO OC[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1c1ccsc1 ZINC000188058613 527594835 /nfs/dbraw/zinc/59/48/35/527594835.db2.gz QXSJOFFGCXBJOS-HOTGVXAUSA-N 1 0 323.408 3.894 10 0 DHAERO OC[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@H]1c1ccsc1 ZINC000188120920 527595772 /nfs/dbraw/zinc/59/57/72/527595772.db2.gz DXIRANUNOQREHB-WMZOPIPTSA-N 1 0 324.449 3.504 10 0 DHAERO C[C@H]1OP2([NH2+]C3CCCCC3)(O[C@@H]1C)O[C@@H](C)[C@H](C)O2 ZINC000263632830 563615072 /nfs/dbraw/zinc/61/50/72/563615072.db2.gz YTFCJLMJAANERZ-KVVVAFMNSA-N 1 0 305.355 3.685 10 0 DHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccccc1Cl ZINC000675054709 563869615 /nfs/dbraw/zinc/86/96/15/563869615.db2.gz PBLGODCKCCYQRQ-FZMZJTMJSA-N 1 0 310.825 3.739 10 0 DHAERO CCCC[NH2+]Cc1cc(Br)cc(OC)c1OCC ZINC000010473986 563357276 /nfs/dbraw/zinc/35/72/76/563357276.db2.gz GGSTXBJZTJDCGQ-UHFFFAOYSA-N 1 0 316.239 3.746 10 0 DHAERO CCOc1c(C[NH2+]CCCOC(C)C)cc(Cl)cc1OC ZINC000013722099 563387492 /nfs/dbraw/zinc/38/74/92/563387492.db2.gz RKELMBPFJWUILH-UHFFFAOYSA-N 1 0 315.841 3.652 10 0 DHAERO Cc1ccc([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1C ZINC000675052584 563780551 /nfs/dbraw/zinc/78/05/51/563780551.db2.gz BRMCYHPBBQISDI-JKSUJKDBSA-N 1 0 304.434 3.703 10 0 DHAERO Cc1c(Cl)cccc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675053136 563856354 /nfs/dbraw/zinc/85/63/54/563856354.db2.gz GLCGQBFCIAZGQP-SWLSCSKDSA-N 1 0 324.852 3.966 10 0 DHAERO Cc1cc(Cl)ccc1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675055131 563870044 /nfs/dbraw/zinc/87/00/44/563870044.db2.gz QDKVVQZJKQYJQH-ZFWWWQNUSA-N 1 0 324.852 3.966 10 0 DHAERO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1cc[nH]c1)c1cccs1 ZINC000091891851 1032462729 /nfs/dbraw/zinc/46/27/29/1032462729.db2.gz GNCAXEDGQMLKCX-HOTGVXAUSA-N 1 0 304.459 3.945 10 0 DHAERO CC(C)c1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000047378059 1025619377 /nfs/dbraw/zinc/61/93/77/1025619377.db2.gz UQSFURXFJKIRBP-UHFFFAOYSA-N 1 0 315.461 3.902 10 0 DHAERO CC(C)[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000079960261 1031244606 /nfs/dbraw/zinc/24/46/06/1031244606.db2.gz PFNRLVLEYVKPLH-LJQANCHMSA-N 1 0 314.473 3.513 10 0 DHAERO COc1cc([C@@H]([NH3+])C2CCCC2)c(OC)cc1Br ZINC000083256160 185221704 /nfs/dbraw/zinc/22/17/04/185221704.db2.gz FIUAFYKSDHFZGU-AWEZNQCLSA-N 1 0 314.223 3.656 10 0 DHAERO C[C@H](c1cccs1)[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000092901936 185348297 /nfs/dbraw/zinc/34/82/97/185348297.db2.gz PDMXFMMSOQPSNY-CHWSQXEVSA-N 1 0 310.463 3.750 10 0 DHAERO CNc1cc(C)[nH+]c(NCc2cc(C)cc3c(C)c(C)[nH]c32)n1 ZINC000071738549 191019446 /nfs/dbraw/zinc/01/94/46/191019446.db2.gz RAPSTBSHABZIFC-UHFFFAOYSA-N 1 0 309.417 3.845 10 0 DHAERO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000072535543 191188292 /nfs/dbraw/zinc/18/82/92/191188292.db2.gz WIVIGQDUIRNSCB-OLZOCXBDSA-N 1 0 318.367 3.951 10 0 DHAERO Cc1ccc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000003582972 181036873 /nfs/dbraw/zinc/03/68/73/181036873.db2.gz ZESJTSBSCWFCNF-UHFFFAOYSA-N 1 0 322.452 3.888 10 0 DHAERO C[NH+](C)CCCn1c(COc2ccccc2)nc2ccccc21 ZINC000005489596 181249226 /nfs/dbraw/zinc/24/92/26/181249226.db2.gz GCXYBXPYDRVPBJ-UHFFFAOYSA-N 1 0 309.413 3.567 10 0 DHAERO CCC[C@H]([NH3+])C(=O)NC(c1cccc(C)c1)c1cccc(C)c1 ZINC000236839696 202034569 /nfs/dbraw/zinc/03/45/69/202034569.db2.gz KIZJONHSTQMTNZ-SFHVURJKSA-N 1 0 310.441 3.636 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000236992069 202112021 /nfs/dbraw/zinc/11/20/21/202112021.db2.gz QXXBMLITKMNLFF-ZIAGYGMSSA-N 1 0 316.367 3.646 10 0 DHAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(CSC(C)C)c1C ZINC000237008047 202121062 /nfs/dbraw/zinc/12/10/62/202121062.db2.gz DUGXECWFHIDDOH-MLGOLLRUSA-N 1 0 308.491 3.949 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@@]([NH3+])(c2cccc(Cl)c2)C1 ZINC000261508909 203073243 /nfs/dbraw/zinc/07/32/43/203073243.db2.gz YELKNYSWUAYJGD-INIZCTEOSA-N 1 0 310.825 3.525 10 0 DHAERO O=C(OCc1ccccc1)N1CCC[C@@H](CCC[NH2+]C2CC2)C1 ZINC000095077821 193418230 /nfs/dbraw/zinc/41/82/30/193418230.db2.gz GBPMGDJKFRNYDN-MRXNPFEDSA-N 1 0 316.445 3.567 10 0 DHAERO C[N@H+]([C@H](CN)c1cccc(Br)c1)C1CCCCC1 ZINC000019516698 182127525 /nfs/dbraw/zinc/12/75/25/182127525.db2.gz KGEMJHYQFCJGIZ-OAHLLOKOSA-N 1 0 311.267 3.713 10 0 DHAERO [NH3+]C[C@@H](Oc1ccccc1Br)c1ccc(F)cc1 ZINC000019671426 182135451 /nfs/dbraw/zinc/13/54/51/182135451.db2.gz DHKNUSOENCFQHO-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccncc1 ZINC000020121512 182189353 /nfs/dbraw/zinc/18/93/53/182189353.db2.gz FBGDWVATYNMEFF-SNVBAGLBSA-N 1 0 309.182 3.834 10 0 DHAERO CCN(c1ccccc1)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000020081996 182185070 /nfs/dbraw/zinc/18/50/70/182185070.db2.gz JNVVRBOYPAFXPV-MRXNPFEDSA-N 1 0 319.246 3.975 10 0 DHAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000020081944 182185552 /nfs/dbraw/zinc/18/55/52/182185552.db2.gz GQSBOZFQEQJSIB-HUBLWGQQSA-N 1 0 300.368 3.683 10 0 DHAERO CCN(Cc1ccccc1)[C@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000020226565 182198888 /nfs/dbraw/zinc/19/88/88/182198888.db2.gz MSMNNIXFWOBVCW-HXUWFJFHSA-N 1 0 312.457 3.996 10 0 DHAERO [NH3+]C[C@H](c1cccc(Br)c1)N1CCCCCCC1 ZINC000020265278 182201314 /nfs/dbraw/zinc/20/13/14/182201314.db2.gz QVZMLPLJAKUFKY-OAHLLOKOSA-N 1 0 311.267 3.715 10 0 DHAERO [NH3+][C@@H](Cc1nc2ccccc2o1)c1ccc(Br)cc1 ZINC000020428061 182216514 /nfs/dbraw/zinc/21/65/14/182216514.db2.gz NFGPXIIIEFIPAK-LBPRGKRZSA-N 1 0 317.186 3.833 10 0 DHAERO COc1ccc([C@@H]([NH3+])Cc2ccccc2F)cc1Br ZINC000020522209 182226978 /nfs/dbraw/zinc/22/69/78/182226978.db2.gz HMJSXHIKHKIABK-AWEZNQCLSA-N 1 0 324.193 3.839 10 0 DHAERO CC(C)[NH2+]CCCOc1ccc(Br)cc1Cl ZINC000020524977 182227127 /nfs/dbraw/zinc/22/71/27/182227127.db2.gz ZUHYFEQNVLQGRF-UHFFFAOYSA-N 1 0 306.631 3.869 10 0 DHAERO COc1ccc([C@H]([NH3+])Cc2ccccc2F)cc1Br ZINC000020522211 182227246 /nfs/dbraw/zinc/22/72/46/182227246.db2.gz HMJSXHIKHKIABK-CQSZACIVSA-N 1 0 324.193 3.839 10 0 DHAERO COc1ccc(Br)cc1[C@H]([NH3+])c1ccccc1F ZINC000020586771 182235447 /nfs/dbraw/zinc/23/54/47/182235447.db2.gz ZVPPCLHVCBVERP-CQSZACIVSA-N 1 0 310.166 3.645 10 0 DHAERO C[C@@H]([NH2+]C1CC(c2ccccc2Br)C1)[C@H]1CCCO1 ZINC000036845150 182848412 /nfs/dbraw/zinc/84/84/12/182848412.db2.gz FVBDXBZSKQSSLJ-NEQJSVFRSA-N 1 0 324.262 3.852 10 0 DHAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1ccc(Cl)cc1 ZINC000040687599 183117969 /nfs/dbraw/zinc/11/79/69/183117969.db2.gz KLKWOTXLWNJCTL-UHFFFAOYSA-N 1 0 312.764 3.594 10 0 DHAERO COc1ccc(Cl)cc1C[C@H](C[NH3+])Cc1ccccc1F ZINC000041540955 183200469 /nfs/dbraw/zinc/20/04/69/183200469.db2.gz KVUKXLFQFIMIFA-GFCCVEGCSA-N 1 0 307.796 3.848 10 0 DHAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2ccc(Cl)s2)s1 ZINC000042317445 183253159 /nfs/dbraw/zinc/25/31/59/183253159.db2.gz BAZCOLQAISOITH-NSHDSACASA-N 1 0 300.880 3.903 10 0 DHAERO CN(Cc1cc(Br)cs1)CC1([NH3+])CCCCC1 ZINC000042402495 183264723 /nfs/dbraw/zinc/26/47/23/183264723.db2.gz QVMYGVYJFGOWIP-UHFFFAOYSA-N 1 0 317.296 3.604 10 0 DHAERO CN(Cc1csc(Br)c1)C1(C[NH3+])CCCCC1 ZINC000042361231 183257786 /nfs/dbraw/zinc/25/77/86/183257786.db2.gz VTJGAKHVYWKWJJ-UHFFFAOYSA-N 1 0 317.296 3.604 10 0 DHAERO NC(=S)CC[N@H+](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000042546196 183283431 /nfs/dbraw/zinc/28/34/31/183283431.db2.gz JZOLIZLTOPLEIE-UHFFFAOYSA-N 1 0 303.258 3.634 10 0 DHAERO CC(C)C[N@H+]([C@H](CN)c1cccc(Br)c1)C1CC1 ZINC000042555135 183284303 /nfs/dbraw/zinc/28/43/03/183284303.db2.gz CFQJLJWBGZTIBV-OAHLLOKOSA-N 1 0 311.267 3.569 10 0 DHAERO C[C@H](CN1CCCC1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000042598392 183289320 /nfs/dbraw/zinc/28/93/20/183289320.db2.gz QYUFEMXUEFUKPW-MNOVXSKESA-N 1 0 317.296 3.646 10 0 DHAERO C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H](CN)c1ccc(Br)o1 ZINC000042607002 183290356 /nfs/dbraw/zinc/29/03/56/183290356.db2.gz LDFNWSABLSXDEX-TUAOUCFPSA-N 1 0 315.255 3.552 10 0 DHAERO C[C@H]([N@H+](C)[C@@H](CN)c1cccc(Br)c1)C(C)(C)C ZINC000042741795 183304366 /nfs/dbraw/zinc/30/43/66/183304366.db2.gz PEMGQMNLNKPRSH-FZMZJTMJSA-N 1 0 313.283 3.815 10 0 DHAERO CC[C@H](C)[N@H+](CC)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952951 183321229 /nfs/dbraw/zinc/32/12/29/183321229.db2.gz AKBLBFBBEHJUON-YWPYICTPSA-N 1 0 313.283 3.958 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)Cc1ccoc1 ZINC000042954288 183321456 /nfs/dbraw/zinc/32/14/56/183321456.db2.gz VEIIKGSSWGYACN-NHYWBVRUSA-N 1 0 323.234 3.562 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](OCC(C)C)c1ccc(Br)cc1 ZINC000042957235 183323091 /nfs/dbraw/zinc/32/30/91/183323091.db2.gz JEQIQLMEIGFISJ-KGLIPLIRSA-N 1 0 300.240 3.900 10 0 DHAERO CC(C)C[C@@H](C)O[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957488 183323121 /nfs/dbraw/zinc/32/31/21/183323121.db2.gz NMPALDWMLFMENW-RISCZKNCSA-N 1 0 300.240 3.900 10 0 DHAERO Cc1cccc([C@H](C[NH3+])Oc2ccc(F)cc2Br)c1 ZINC000042967962 183324404 /nfs/dbraw/zinc/32/44/04/183324404.db2.gz KQHQAOGOTIFHCY-HNNXBMFYSA-N 1 0 324.193 3.975 10 0 DHAERO CCCCN(C)[C@@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020132 183328623 /nfs/dbraw/zinc/32/86/23/183328623.db2.gz RZKNSIFJTISEQD-CABCVRRESA-N 1 0 313.283 3.959 10 0 DHAERO CC[N@H+](CC(C)C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020391 183328662 /nfs/dbraw/zinc/32/86/62/183328662.db2.gz APFJQQVNOXDULS-IUODEOHRSA-N 1 0 313.283 3.815 10 0 DHAERO Cc1nn([C@H](c2cccc(Br)c2)[C@H](C)[NH3+])c(C)c1C ZINC000043022214 183329664 /nfs/dbraw/zinc/32/96/64/183329664.db2.gz WBNDHTLCLLRJAY-BONVTDFDSA-N 1 0 322.250 3.507 10 0 DHAERO C[C@H]([NH3+])[C@@H](OCc1ccco1)c1cccc(Br)c1 ZINC000043022357 183330708 /nfs/dbraw/zinc/33/07/08/183330708.db2.gz HJTLEIAXLWCZTI-IINYFYTJSA-N 1 0 310.191 3.647 10 0 DHAERO [NH3+]C[C@@H](SCc1ccco1)c1cccc(Br)c1 ZINC000043024763 183331211 /nfs/dbraw/zinc/33/12/11/183331211.db2.gz WUDOPVOQATWZLU-CYBMUJFWSA-N 1 0 312.232 3.975 10 0 DHAERO CC(C)CCO[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043094588 183337238 /nfs/dbraw/zinc/33/72/38/183337238.db2.gz YNVZUIMDBYICJJ-BXUZGUMPSA-N 1 0 300.240 3.900 10 0 DHAERO CC(C)CCO[C@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043094594 183337414 /nfs/dbraw/zinc/33/74/14/183337414.db2.gz YNVZUIMDBYICJJ-FZMZJTMJSA-N 1 0 300.240 3.900 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)N1CC[C@H](C)C1 ZINC000043092488 183335601 /nfs/dbraw/zinc/33/56/01/183335601.db2.gz HJUYUVIZFXZLEA-CQDKDKBSSA-N 1 0 311.267 3.569 10 0 DHAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)Cc1ccco1 ZINC000043091534 183335680 /nfs/dbraw/zinc/33/56/80/183335680.db2.gz CSAJHIJNKXJGQA-XHDPSFHLSA-N 1 0 323.234 3.562 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(CC)C(C)C ZINC000043091242 183335765 /nfs/dbraw/zinc/33/57/65/183335765.db2.gz OJBLXDJGKMQGHJ-HUUCEWRRSA-N 1 0 313.283 3.958 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N1CCCCCC1 ZINC000043090480 183335902 /nfs/dbraw/zinc/33/59/02/183335902.db2.gz BSDPHXQRYOIWOU-IUODEOHRSA-N 1 0 311.267 3.713 10 0 DHAERO CC[C@H](C)N(CC)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091378 183336204 /nfs/dbraw/zinc/33/62/04/183336204.db2.gz DYZFBHNTBKJHPD-YWPYICTPSA-N 1 0 313.283 3.958 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(CC)C1CC1 ZINC000043091201 183336246 /nfs/dbraw/zinc/33/62/46/183336246.db2.gz XZMGRNKMLYEXQH-HUUCEWRRSA-N 1 0 311.267 3.712 10 0 DHAERO CC[C@H](C)[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000043687292 183380411 /nfs/dbraw/zinc/38/04/11/183380411.db2.gz NUPXSXGXPLJGGI-JTQLQIEISA-N 1 0 306.269 3.758 10 0 DHAERO C[C@H](c1ccccc1Cl)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106080060 194184067 /nfs/dbraw/zinc/18/40/67/194184067.db2.gz RPVLSSWZUIXKLP-CYBMUJFWSA-N 1 0 316.836 3.768 10 0 DHAERO CC[NH2+][C@H](CC)CCc1ccc(OC)c(Br)c1 ZINC000049596890 183745725 /nfs/dbraw/zinc/74/57/25/183745725.db2.gz VUGYISWLBZYDMB-GFCCVEGCSA-N 1 0 300.240 3.778 10 0 DHAERO C[NH2+][C@H]1CCCC[C@@H]1Cc1ccc(OC)c(Br)c1 ZINC000049597144 183745895 /nfs/dbraw/zinc/74/58/95/183745895.db2.gz UCUPPGVNZASZBX-OCCSQVGLSA-N 1 0 312.251 3.778 10 0 DHAERO C[NH2+][C@@H](Cc1ccc(F)c(Br)c1)CC(F)(F)F ZINC000049599948 183747075 /nfs/dbraw/zinc/74/70/75/183747075.db2.gz CJDORVIKPLLSIB-QMMMGPOBSA-N 1 0 314.120 3.671 10 0 DHAERO O[C@H]1CCCC[C@H]1[NH2+]C1CC(c2ccccc2Br)C1 ZINC000051997331 183845791 /nfs/dbraw/zinc/84/57/91/183845791.db2.gz HAKSUIQBLAODNP-TUHYSUIHSA-N 1 0 324.262 3.588 10 0 DHAERO CC(C)C[NH2+]CCCCOc1cccc(Br)c1 ZINC000052673866 183867694 /nfs/dbraw/zinc/86/76/94/183867694.db2.gz VGNKPXDUKCJEGB-UHFFFAOYSA-N 1 0 300.240 3.854 10 0 DHAERO COc1ccc(Br)cc1CCC[NH2+]CC(C)C ZINC000052949640 183881379 /nfs/dbraw/zinc/88/13/79/183881379.db2.gz NJVYPAUKUIBRMI-UHFFFAOYSA-N 1 0 300.240 3.636 10 0 DHAERO Cc1cccc(N[C@H](C[NH3+])c2cccc(Br)c2)c1 ZINC000057634084 184043106 /nfs/dbraw/zinc/04/31/06/184043106.db2.gz BLGFOWDBUVMUHU-OAHLLOKOSA-N 1 0 305.219 3.869 10 0 DHAERO Fc1ccc([C@@H]2CN(C3CC[NH2+]CC3)c3ccc(F)cc32)cc1 ZINC000059051553 184134224 /nfs/dbraw/zinc/13/42/24/184134224.db2.gz ZIXCBHJRCMGVLM-SFHVURJKSA-N 1 0 314.379 3.669 10 0 DHAERO CC(C)[C@H](CCOc1cccc(Br)c1)[C@H](C)[NH3+] ZINC000061686424 184182145 /nfs/dbraw/zinc/18/21/45/184182145.db2.gz GQJXNDSXWWXSBA-FZMZJTMJSA-N 1 0 300.240 3.837 10 0 DHAERO CCc1c(C)nn(-c2ccc([C@H](C)[NH3+])cc2Br)c1C ZINC000061698450 184183915 /nfs/dbraw/zinc/18/39/15/184183915.db2.gz UISFLWPVTCSHPR-VIFPVBQESA-N 1 0 322.250 3.834 10 0 DHAERO Cc1cnc(Sc2ccc([C@@H](C)[NH3+])cc2Br)nc1 ZINC000061700373 184183937 /nfs/dbraw/zinc/18/39/37/184183937.db2.gz CAIBFOULZWWMLT-SECBINFHSA-N 1 0 324.247 3.718 10 0 DHAERO CC[C@@H](C)COc1ccc(C[C@@H](C)[NH3+])cc1Br ZINC000062704001 184248814 /nfs/dbraw/zinc/24/88/14/184248814.db2.gz URXFCERPKBQJAF-GHMZBOCLSA-N 1 0 300.240 3.764 10 0 DHAERO CCCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCOC ZINC000062732998 184251017 /nfs/dbraw/zinc/25/10/17/184251017.db2.gz HJKLSSRMDXBLCU-UHFFFAOYSA-N 1 0 306.233 3.908 10 0 DHAERO [NH3+][C@@H](Cc1ccc(F)c(Br)c1)c1ccccc1F ZINC000062774616 184252961 /nfs/dbraw/zinc/25/29/61/184252961.db2.gz QPVIJDAAOJEPQD-AWEZNQCLSA-N 1 0 312.157 3.970 10 0 DHAERO CC[C@@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCC[NH2+]C1 ZINC000062852237 184256495 /nfs/dbraw/zinc/25/64/95/184256495.db2.gz NQEMSOIELXQDPM-CQSZACIVSA-N 1 0 301.217 3.712 10 0 DHAERO [NH3+][C@@H](c1ccc(Br)s1)c1cc(F)c(F)c(F)c1 ZINC000063006411 184266012 /nfs/dbraw/zinc/26/60/12/184266012.db2.gz ZHTVQGBPOAXUBP-LLVKDONJSA-N 1 0 322.149 3.976 10 0 DHAERO Cc1cc(Br)ccc1O[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000063061710 184268806 /nfs/dbraw/zinc/26/88/06/184268806.db2.gz NYAGUQZOASQCFI-ABAIWWIYSA-N 1 0 321.218 3.620 10 0 DHAERO C[NH2+]Cc1occc1COc1ccc(Br)cc1C ZINC000063062633 184269234 /nfs/dbraw/zinc/26/92/34/184269234.db2.gz PMSHMZWLJREFDX-UHFFFAOYSA-N 1 0 310.191 3.649 10 0 DHAERO Brc1ccccc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188496 184277160 /nfs/dbraw/zinc/27/71/60/184277160.db2.gz UBGHJROUGNQLJO-HOTGVXAUSA-N 1 0 323.278 3.556 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cccc(Br)c1 ZINC000173433778 332830812 /nfs/dbraw/zinc/83/08/12/332830812.db2.gz GUBOIMGFYDSKPK-NJZAAPMLSA-N 1 0 312.251 3.651 10 0 DHAERO CC1(C)CC(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000175115809 332876099 /nfs/dbraw/zinc/87/60/99/332876099.db2.gz KRJPQDOABGIKFS-CVEARBPZSA-N 1 0 306.494 3.628 10 0 DHAERO Cc1ccc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000262019661 331793880 /nfs/dbraw/zinc/79/38/80/331793880.db2.gz XJSOCGHHPMGDSY-MRXNPFEDSA-N 1 0 321.852 3.644 10 0 DHAERO CC(C)[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000261713068 331810234 /nfs/dbraw/zinc/81/02/34/331810234.db2.gz PIWKYJXUTMZOJQ-NVXWUHKLSA-N 1 0 308.853 3.686 10 0 DHAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000089459414 331820476 /nfs/dbraw/zinc/82/04/76/331820476.db2.gz IRHFRRUXNGOGSG-MVWJERBFSA-N 1 0 315.244 3.546 10 0 DHAERO C[C@@H](NC(=O)C1(C[NH3+])CCCC1)c1ccc(Cl)cc1Cl ZINC000127906129 332008776 /nfs/dbraw/zinc/00/87/76/332008776.db2.gz WYJOSMYTJRKJLO-SNVBAGLBSA-N 1 0 315.244 3.690 10 0 DHAERO C[C@H]1CC(CC[NH+]2CCC(C(=O)N3CCCC3)CC2)C[C@H](C)C1 ZINC000089102228 332062959 /nfs/dbraw/zinc/06/29/59/332062959.db2.gz QWPMGWCCUOMSQA-IAGOWNOFSA-N 1 0 320.521 3.783 10 0 DHAERO c1cncc(-c2cccc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)c2)c1 ZINC000091978951 332116313 /nfs/dbraw/zinc/11/63/13/332116313.db2.gz OTVMBXYVKPGXSC-VQTJNVASSA-N 1 0 308.425 3.892 10 0 DHAERO Cc1ccc([C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccccc2)c(C)c1 ZINC000133033116 332135507 /nfs/dbraw/zinc/13/55/07/332135507.db2.gz MTCPYPQCHSYXRP-RXVVDRJESA-N 1 0 322.452 3.603 10 0 DHAERO CC[C@@]1(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000215696497 332196633 /nfs/dbraw/zinc/19/66/33/332196633.db2.gz CLUIKQYVMHRRFX-BMIGLBTASA-N 1 0 315.244 3.703 10 0 DHAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000261663693 335095927 /nfs/dbraw/zinc/09/59/27/335095927.db2.gz GMNPJNSONUBYGC-GOEBONIOSA-N 1 0 310.397 3.806 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000236902118 332244428 /nfs/dbraw/zinc/24/44/28/332244428.db2.gz KZDYNBCCIFJCQV-QGZVFWFLSA-N 1 0 318.367 3.625 10 0 DHAERO CC[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000049529073 332315259 /nfs/dbraw/zinc/31/52/59/332315259.db2.gz GPSRFHNVDLQMKG-IUODEOHRSA-N 1 0 323.483 3.954 10 0 DHAERO COc1ccc([C@H](C)[NH2+][C@H](C)c2cncc(F)c2)cc1OC ZINC000178694569 333018590 /nfs/dbraw/zinc/01/85/90/333018590.db2.gz CCVFWZWDYNHQCX-NWDGAFQWSA-N 1 0 304.365 3.650 10 0 DHAERO CNC(=O)C(C)(C)C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000183843751 333162896 /nfs/dbraw/zinc/16/28/96/333162896.db2.gz ATHVSFDJDWMSAG-IBGZPJMESA-N 1 0 324.468 3.755 10 0 DHAERO C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)[C@H]1CCCO1 ZINC000183179099 333183534 /nfs/dbraw/zinc/18/35/34/333183534.db2.gz RRBQOMYUCZNMQY-BXKDBHETSA-N 1 0 314.307 3.504 10 0 DHAERO Cc1ccc2cc(C[NH+]3CCC(Cn4cccn4)CC3)ccc2n1 ZINC000187235043 333229459 /nfs/dbraw/zinc/22/94/59/333229459.db2.gz PIJKOCJEAKPEQO-UHFFFAOYSA-N 1 0 320.440 3.652 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc4nc(C)ccc4c3)C2)c1 ZINC000187239327 333229522 /nfs/dbraw/zinc/22/95/22/333229522.db2.gz CINZIRAMIMBHEW-LJQANCHMSA-N 1 0 320.440 3.885 10 0 DHAERO CC(C)(C)C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000261940200 333469430 /nfs/dbraw/zinc/46/94/30/333469430.db2.gz LARZEORHDSCRTJ-BBWFWOEESA-N 1 0 302.462 3.798 10 0 DHAERO CCn1ccnc1CSCc1ccn(-c2ccccc2F)n1 ZINC000187506704 334264567 /nfs/dbraw/zinc/26/45/67/334264567.db2.gz WLLVAZPTPKVHEA-UHFFFAOYSA-N 1 0 316.405 3.661 10 0 DHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000188025106 334608328 /nfs/dbraw/zinc/60/83/28/334608328.db2.gz QZXKRCFHQSHUQB-IACUBPJLSA-N 1 0 310.507 3.951 10 0 DHAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)CCCS2 ZINC000188060752 334624769 /nfs/dbraw/zinc/62/47/69/334624769.db2.gz ZBMAZGFCMYDSGX-XKQJLSEDSA-N 1 0 321.486 3.763 10 0 DHAERO CC[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C)c1 ZINC000123891201 334739226 /nfs/dbraw/zinc/73/92/26/334739226.db2.gz KGAPVGUQDPLMCD-MOPGFXCFSA-N 1 0 308.425 3.847 10 0 DHAERO Cc1cc(N2CCC(Cn3cccn3)CC2)c2cc(F)ccc2[nH+]1 ZINC000124866353 334772542 /nfs/dbraw/zinc/77/25/42/334772542.db2.gz QIQUDUBWOGDVGM-UHFFFAOYSA-N 1 0 324.403 3.795 10 0 DHAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)c2cccnc12 ZINC000113270254 335301241 /nfs/dbraw/zinc/30/12/41/335301241.db2.gz CATJDXVWRJDYKU-DZGCQCFKSA-N 1 0 315.848 3.557 10 0 DHAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000395205659 335788071 /nfs/dbraw/zinc/78/80/71/335788071.db2.gz JCEHIJFGTDCUTJ-BEFAXECRSA-N 1 0 324.424 3.592 10 0 DHAERO COc1cccc2c1CC[C@@H]([NH2+][C@H]1CCOc3ccccc31)C2 ZINC000192437929 336032424 /nfs/dbraw/zinc/03/24/24/336032424.db2.gz JEIKRXNGENPVHU-QAPCUYQASA-N 1 0 309.409 3.666 10 0 DHAERO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](C[C@@H](C)CC2CCCCC2)C1 ZINC000190146002 336259659 /nfs/dbraw/zinc/25/96/59/336259659.db2.gz ZYUCYUKWJHHRGW-XKQJLSEDSA-N 1 0 321.465 3.746 10 0 DHAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000192941221 336285452 /nfs/dbraw/zinc/28/54/52/336285452.db2.gz MERZOUFKHJQZNH-DNVCBOLYSA-N 1 0 310.441 3.575 10 0 DHAERO CC[N@@H+]1CCc2c(cccc2Nc2ncnc3ccccc32)C1 ZINC000301674242 336322538 /nfs/dbraw/zinc/32/25/38/336322538.db2.gz BFKGKFRVNYVWCU-UHFFFAOYSA-N 1 0 304.397 3.751 10 0 DHAERO C[C@H]1CN(c2ccnc3cc(C(F)(F)F)ccc32)C[C@@H]1[NH+](C)C ZINC000301784872 336329618 /nfs/dbraw/zinc/32/96/18/336329618.db2.gz KRYZUMAQQZSCKQ-ZBEGNZNMSA-N 1 0 323.362 3.640 10 0 DHAERO CCS[C@H]1CC[C@@]1(O)CNc1cc(CC)[nH+]c2ccccc12 ZINC000301793257 336330309 /nfs/dbraw/zinc/33/03/09/336330309.db2.gz OMOJBYIDCZSMIW-ZWKOTPCHSA-N 1 0 316.470 3.856 10 0 DHAERO CNC(=O)[C@@H]1CCCC[C@H]1Nc1c(C)c(C)[nH+]c2ccccc21 ZINC000302102350 336348575 /nfs/dbraw/zinc/34/85/75/336348575.db2.gz VQHOODWBVOISGL-NVXWUHKLSA-N 1 0 311.429 3.568 10 0 DHAERO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccnc3c(F)cc(F)cc23)C1 ZINC000302542552 336361214 /nfs/dbraw/zinc/36/12/14/336361214.db2.gz TUGDPSLZOLNYAB-OLZOCXBDSA-N 1 0 305.372 3.798 10 0 DHAERO CC(C)COc1ccc([C@@H](C)[NH2+]CCO[C@@H]2CCCCO2)cc1 ZINC000193091568 336396790 /nfs/dbraw/zinc/39/67/90/336396790.db2.gz HCQUWNDIWIMRBX-VQIMIIECSA-N 1 0 321.461 3.915 10 0 DHAERO C[NH+](C)CCCCCCCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116538213 336842173 /nfs/dbraw/zinc/84/21/73/336842173.db2.gz ZZZBFNVIIRTPGL-MRXNPFEDSA-N 1 0 321.465 3.638 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000193916605 337080544 /nfs/dbraw/zinc/08/05/44/337080544.db2.gz YQQHJPMJOCQZKC-QGZVFWFLSA-N 1 0 313.445 3.600 10 0 DHAERO C[C@@H]([NH2+]Cc1ccc2ccccc2n1)[C@H]1COc2ccccc21 ZINC000169107771 337080826 /nfs/dbraw/zinc/08/08/26/337080826.db2.gz XMLBXIHQMWACCS-RDTXWAMCSA-N 1 0 304.393 3.889 10 0 DHAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H](C)c3ccc(F)cc3)C2)n1 ZINC000171506915 337087606 /nfs/dbraw/zinc/08/76/06/337087606.db2.gz VTOTVOQMLSDJST-BBRMVZONSA-N 1 0 316.424 3.507 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000171523902 337087697 /nfs/dbraw/zinc/08/76/97/337087697.db2.gz GDTQAFUNPKXTFR-KRWDZBQOSA-N 1 0 313.445 3.552 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000171521411 337087713 /nfs/dbraw/zinc/08/77/13/337087713.db2.gz QIHVOHVFNOSAAK-INIZCTEOSA-N 1 0 303.837 3.936 10 0 DHAERO CCO[C@@H]1C[C@H]([N@H+](C)CCc2scnc2C)C12CCCC2 ZINC000172670649 337129339 /nfs/dbraw/zinc/12/93/39/337129339.db2.gz JLOACUFFHAUYAP-JKSUJKDBSA-N 1 0 308.491 3.664 10 0 DHAERO CC(C)[NH+](CCCNC(=O)N1CCC[C@@H]1c1ccco1)C(C)C ZINC000174349946 337140875 /nfs/dbraw/zinc/14/08/75/337140875.db2.gz HEFXEDOXULMJOT-MRXNPFEDSA-N 1 0 321.465 3.635 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175652996 337146859 /nfs/dbraw/zinc/14/68/59/337146859.db2.gz RAOISCDPFZCWFZ-RDJZCZTQSA-N 1 0 313.445 3.852 10 0 DHAERO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000177418091 337155865 /nfs/dbraw/zinc/15/58/65/337155865.db2.gz PFAJCGXLCVYCEX-RBUKOAKNSA-N 1 0 318.505 3.726 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCSc1ccc(F)cc1 ZINC000178304641 337162246 /nfs/dbraw/zinc/16/22/46/337162246.db2.gz UXMHMAJBDSEBDR-MRXNPFEDSA-N 1 0 319.449 3.587 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000178312372 337163790 /nfs/dbraw/zinc/16/37/90/337163790.db2.gz TYUHYSGYKVAWIX-HNNXBMFYSA-N 1 0 323.362 3.875 10 0 DHAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1oc3ccccc3c1C)CC2 ZINC000180619915 337176600 /nfs/dbraw/zinc/17/66/00/337176600.db2.gz HYQZOQFPECAAHX-UONOGXRCSA-N 1 0 324.428 3.561 10 0 DHAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1ccc(Cl)s1)CC2 ZINC000180617213 337176721 /nfs/dbraw/zinc/17/67/21/337176721.db2.gz ZYSJVYIWXQSVLN-MNOVXSKESA-N 1 0 324.881 3.611 10 0 DHAERO CCC[C@@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1 ZINC000180634443 337176782 /nfs/dbraw/zinc/17/67/82/337176782.db2.gz JPXOGVRXHMGSQN-IAGOWNOFSA-N 1 0 312.461 3.847 10 0 DHAERO CCc1ccc(C2=CCN(Cc3nnc(C(C)C)n3C)CC2)cc1 ZINC000180913659 337178494 /nfs/dbraw/zinc/17/84/94/337178494.db2.gz GQIHFPOZPMYQDA-UHFFFAOYSA-N 1 0 324.472 3.790 10 0 DHAERO CC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Br)cc1 ZINC000222704716 337180213 /nfs/dbraw/zinc/18/02/13/337180213.db2.gz QLZVQOYNPQFXGQ-LSDHHAIUSA-N 1 0 311.267 3.584 10 0 DHAERO Cc1nc(C(F)(F)F)c(CN2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000183570501 337192358 /nfs/dbraw/zinc/19/23/58/337192358.db2.gz IOIMGUUATDJXJP-WDEREUQCSA-N 1 0 320.380 3.614 10 0 DHAERO C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc21)[C@@H]1CCCO1 ZINC000226392910 337199103 /nfs/dbraw/zinc/19/91/03/337199103.db2.gz QPEFATDXNKJMAQ-LKTVYLICSA-N 1 0 310.235 3.594 10 0 DHAERO C[C@@H](N[C@@H](C)c1cccc(Cl)c1F)c1nnc2n1CCCC2 ZINC000184660852 337199680 /nfs/dbraw/zinc/19/96/80/337199680.db2.gz VNWNFSXODNFWMO-WDEREUQCSA-N 1 0 322.815 3.819 10 0 DHAERO Cc1ccc2[nH+]ccc(N3C[C@H](CO)[C@H](c4ccsc4)C3)c2c1 ZINC000186146151 337253871 /nfs/dbraw/zinc/25/38/71/337253871.db2.gz MGXLNDCIBGJRCW-WBVHZDCISA-N 1 0 324.449 3.817 10 0 DHAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(SCC)c2)C1 ZINC000186202500 337254645 /nfs/dbraw/zinc/25/46/45/337254645.db2.gz ODXXEAMJXMGLMP-INIZCTEOSA-N 1 0 320.502 3.679 10 0 DHAERO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000187049637 337261349 /nfs/dbraw/zinc/26/13/49/337261349.db2.gz ZLJNHJHLCRQOBO-RYUDHWBXSA-N 1 0 307.800 3.763 10 0 DHAERO Cc1cc(C)cc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188105223 337270990 /nfs/dbraw/zinc/27/09/90/337270990.db2.gz CKVAAXIQOODGJZ-ROUUACIJSA-N 1 0 301.455 3.573 10 0 DHAERO CCc1ccccc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000189658088 337281475 /nfs/dbraw/zinc/28/14/75/337281475.db2.gz NNTMMLAKYGDVNW-ROUUACIJSA-N 1 0 301.455 3.518 10 0 DHAERO Cc1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1C ZINC000190289485 337286479 /nfs/dbraw/zinc/28/64/79/337286479.db2.gz JBHVJSQNGPIVNE-ROUUACIJSA-N 1 0 301.455 3.573 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1csc(Cl)c1 ZINC000191367431 337296263 /nfs/dbraw/zinc/29/62/63/337296263.db2.gz AQJFSHJIKYBANQ-AAEUAGOBSA-N 1 0 322.865 3.511 10 0 DHAERO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000191869669 337301803 /nfs/dbraw/zinc/30/18/03/337301803.db2.gz UFIQZGQHONJXLQ-HNNXBMFYSA-N 1 0 323.362 3.955 10 0 DHAERO C[NH+](C)[C@@]1(c2ccc(Br)cc2)CC[C@@](C)(O)CC1 ZINC000584601438 337370983 /nfs/dbraw/zinc/37/09/83/337370983.db2.gz PUHKNROHCCPCSV-GASCZTMLSA-N 1 0 312.251 3.531 10 0 DHAERO C[C@@H]([NH3+])c1ccccc1-c1cncn1CCc1ccc(F)cc1 ZINC000584595196 337373889 /nfs/dbraw/zinc/37/38/89/337373889.db2.gz NSSOKDHYSWMURR-CQSZACIVSA-N 1 0 309.388 3.952 10 0 DHAERO COc1ccc([C@H](O)CC[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000584595934 337374070 /nfs/dbraw/zinc/37/40/70/337374070.db2.gz BBJFAPGHZCVAJE-JCFBCRGFSA-N 1 0 315.457 3.677 10 0 DHAERO O=C(Nc1ccc(C=C2C[NH2+]C2)cc1)Nc1cccc(Cl)c1 ZINC000584648215 337380378 /nfs/dbraw/zinc/38/03/78/337380378.db2.gz AMWZDOCFPXFZIW-UHFFFAOYSA-N 1 0 313.788 3.971 10 0 DHAERO Cc1cnn(CC[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)c1 ZINC000124022776 337403277 /nfs/dbraw/zinc/40/32/77/337403277.db2.gz ODYOXOYZRWFSAV-MRXNPFEDSA-N 1 0 319.836 3.657 10 0 DHAERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC)C2)cc1OCC ZINC000133069504 337444186 /nfs/dbraw/zinc/44/41/86/337444186.db2.gz IRBSQGBEWIGMTG-RDJZCZTQSA-N 1 0 320.477 3.619 10 0 DHAERO c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CCOc4ccccc43)C2)cc1 ZINC000236598904 337463811 /nfs/dbraw/zinc/46/38/11/337463811.db2.gz QACKYDUFIYDLAC-AZUAARDMSA-N 1 0 322.452 3.764 10 0 DHAERO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000246374095 337542323 /nfs/dbraw/zinc/54/23/23/337542323.db2.gz JOUGIMLOLSYPGG-SOLBZPMBSA-N 1 0 322.456 3.592 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)[C@H]1CCCO1 ZINC000247187352 337558298 /nfs/dbraw/zinc/55/82/98/337558298.db2.gz VPQVXHQREVLFQI-OPQQBVKSSA-N 1 0 303.324 3.645 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C12CCOCC2 ZINC000248633234 337566417 /nfs/dbraw/zinc/56/64/17/337566417.db2.gz ITNXQHWZIWCCER-BPQIPLTHSA-N 1 0 303.446 3.620 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C12CCOCC2 ZINC000249052346 337569433 /nfs/dbraw/zinc/56/94/33/337569433.db2.gz WZIFJISYQONTHU-KBRIMQKVSA-N 1 0 323.864 3.965 10 0 DHAERO Cc1ccc2[nH+]ccc(N3C[C@@H](CO)[C@@H](c4ccsc4)C3)c2c1 ZINC000249451392 337570347 /nfs/dbraw/zinc/57/03/47/337570347.db2.gz MGXLNDCIBGJRCW-DOTOQJQBSA-N 1 0 324.449 3.817 10 0 DHAERO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261689308 337608583 /nfs/dbraw/zinc/60/85/83/337608583.db2.gz DUFXXUZJQLSIAT-GWCFXTLKSA-N 1 0 320.820 3.594 10 0 DHAERO CC(C)[C@@H](CC1CCCCC1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261750711 337609716 /nfs/dbraw/zinc/60/97/16/337609716.db2.gz FDQKIWIHJFKHED-SJORKVTESA-N 1 0 308.510 3.815 10 0 DHAERO CCC[C@H](C(=O)Nc1ccc(COC2CCCC2)cc1)[NH+](C)C ZINC000162250848 337610557 /nfs/dbraw/zinc/61/05/57/337610557.db2.gz FYWUTXNRZDUHEI-GOSISDBHSA-N 1 0 318.461 3.815 10 0 DHAERO CC1(C)CN(C(=O)c2cccc(Nc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000261816644 337610987 /nfs/dbraw/zinc/61/09/87/337610987.db2.gz HQRDSPLKMJPOKB-SFHVURJKSA-N 1 0 323.440 3.630 10 0 DHAERO C[C@H](c1ccc2ccccc2c1)N(C(=O)[C@@H](C)C1C[NH2+]C1)C1CC1 ZINC000262352967 337617202 /nfs/dbraw/zinc/61/72/02/337617202.db2.gz GMOVIEMYWRLTQM-LSDHHAIUSA-N 1 0 322.452 3.747 10 0 DHAERO [NH3+]CCCCCCC(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000262679196 337620452 /nfs/dbraw/zinc/62/04/52/337620452.db2.gz VIROJAAJAGONHR-UHFFFAOYSA-N 1 0 309.841 3.762 10 0 DHAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc(F)cc2)o1 ZINC000122973528 337933988 /nfs/dbraw/zinc/93/39/88/337933988.db2.gz CZUVFFHDAROFEN-DGCLKSJQSA-N 1 0 304.365 3.795 10 0 DHAERO CC1(C)[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)[C@@H]2CCO[C@@H]21 ZINC000085629173 338010944 /nfs/dbraw/zinc/01/09/44/338010944.db2.gz APGJDIWSIQSRTA-CFVMTHIKSA-N 1 0 314.256 3.939 10 0 DHAERO Cc1cc(F)cc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000152769308 338211510 /nfs/dbraw/zinc/21/15/10/338211510.db2.gz PNQZZEOKMRUKIG-QGZVFWFLSA-N 1 0 315.392 3.559 10 0 DHAERO C[C@@H]([NH2+]CCCC(C)(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400327805 340143746 /nfs/dbraw/zinc/14/37/46/340143746.db2.gz AXZQKXSNJHNCEZ-CHWSQXEVSA-N 1 0 320.424 3.657 10 0 DHAERO C[C@H]([NH2+]CCc1cccs1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400465580 340147380 /nfs/dbraw/zinc/14/73/80/340147380.db2.gz SVEVBDBXCRYXNY-KBPBESRZSA-N 1 0 324.490 3.526 10 0 DHAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000189855629 340540603 /nfs/dbraw/zinc/54/06/03/340540603.db2.gz NLKPLPKZPDKAAZ-JSGCOSHPSA-N 1 0 301.352 3.603 10 0 DHAERO CN(C(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000226459701 340586070 /nfs/dbraw/zinc/58/60/70/340586070.db2.gz FMPQETVVRPLEMX-NSHDSACASA-N 1 0 316.232 3.599 10 0 DHAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229687080 340614868 /nfs/dbraw/zinc/61/48/68/340614868.db2.gz UGFNYVCIQJXWDY-GMSGAONNSA-N 1 0 324.140 3.846 10 0 DHAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000070743003 341008035 /nfs/dbraw/zinc/00/80/35/341008035.db2.gz GJEWOGJVTHWONS-MNOVXSKESA-N 1 0 317.260 3.805 10 0 DHAERO CCO[C@H](C)c1noc(CN[C@H](C)c2ccc(Cl)s2)n1 ZINC000130331940 341017226 /nfs/dbraw/zinc/01/72/26/341017226.db2.gz KUHLHBNDDLNOAT-RKDXNWHRSA-N 1 0 315.826 3.733 10 0 DHAERO C[C@@H]1CN(Cc2ccc(F)cc2Br)CCS1 ZINC000134342832 341213665 /nfs/dbraw/zinc/21/36/65/341213665.db2.gz KYXOUANNSYIGFD-SECBINFHSA-N 1 0 304.228 3.526 10 0 DHAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1Cl ZINC000245424508 341292858 /nfs/dbraw/zinc/29/28/58/341292858.db2.gz CQCAPYCVVHGMFX-KBPBESRZSA-N 1 0 321.852 3.739 10 0 DHAERO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246162953 341330671 /nfs/dbraw/zinc/33/06/71/341330671.db2.gz RAOVBHHSXQENBV-KGLIPLIRSA-N 1 0 317.383 3.855 10 0 DHAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000246232507 341336201 /nfs/dbraw/zinc/33/62/01/341336201.db2.gz MUIUBFRCJDQUAB-DVOMOZLQSA-N 1 0 312.404 3.667 10 0 DHAERO CC(C)c1ccccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246284014 341339964 /nfs/dbraw/zinc/33/99/64/341339964.db2.gz BUDFKWNDIKQLHS-WMLDXEAASA-N 1 0 303.450 3.660 10 0 DHAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000247112433 341361128 /nfs/dbraw/zinc/36/11/28/341361128.db2.gz FABCJMBHOWVXBS-YOEHRIQHSA-N 1 0 315.461 3.685 10 0 DHAERO COc1ccc2oc([C@H](C)[NH2+][C@H]3CCCC[C@H]3O)c(C)c2c1 ZINC000247992213 341371968 /nfs/dbraw/zinc/37/19/68/341371968.db2.gz JNQHMXCAGHDNBY-VBNZEHGJSA-N 1 0 303.402 3.704 10 0 DHAERO COc1cccc2cc([C@H](C)[NH2+][C@@H]3CN(C(C)C)C[C@H]3C)oc21 ZINC000248025710 341372246 /nfs/dbraw/zinc/37/22/46/341372246.db2.gz OVXSJIXKXGUQOY-IJEWVQPXSA-N 1 0 316.445 3.821 10 0 DHAERO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248386657 341376064 /nfs/dbraw/zinc/37/60/64/341376064.db2.gz NISNIRQBZXGJSJ-QAPCUYQASA-N 1 0 320.452 3.528 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C(C)=CCC[C@@H]2C)C12CCOCC2 ZINC000248421589 341377349 /nfs/dbraw/zinc/37/73/49/341377349.db2.gz BWPJYUCJQQFATJ-XLAORIBOSA-N 1 0 307.478 3.543 10 0 DHAERO CC(C)CO[C@H](C)c1noc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)n1 ZINC000248444324 341378009 /nfs/dbraw/zinc/37/80/09/341378009.db2.gz WCCFMDYYKBXYTJ-XUWVNRHRSA-N 1 0 321.465 3.814 10 0 DHAERO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248650724 341382904 /nfs/dbraw/zinc/38/29/04/341382904.db2.gz MDJCYGJWCCZXSH-FPOVZHCZSA-N 1 0 323.484 3.987 10 0 DHAERO CCOCCN1CC[N@H+](CC[C@H](C)c2ccccc2)C[C@@H]1CC ZINC000248761783 341386350 /nfs/dbraw/zinc/38/63/50/341386350.db2.gz DRXDNJKLVFDZRD-ICSRJNTNSA-N 1 0 318.505 3.613 10 0 DHAERO C[C@H](CCC1CC1)[NH2+]C[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000249020113 341392172 /nfs/dbraw/zinc/39/21/72/341392172.db2.gz QLLZZKWLDCRKLH-VYDXJSESSA-N 1 0 322.518 3.678 10 0 DHAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000249768698 341400900 /nfs/dbraw/zinc/40/09/00/341400900.db2.gz KBJXFJYXJCYJSI-QJPTWQEYSA-N 1 0 314.832 3.823 10 0 DHAERO O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000261921949 341509445 /nfs/dbraw/zinc/50/94/45/341509445.db2.gz RQSUBOYVLDORHU-INIZCTEOSA-N 1 0 306.409 3.729 10 0 DHAERO CCc1ccc([C@H](C)NC(=O)c2ccccc2CC[NH2+]C)cc1 ZINC000261978282 341510620 /nfs/dbraw/zinc/51/06/20/341510620.db2.gz ZWAOFIUZEZAQSC-HNNXBMFYSA-N 1 0 310.441 3.502 10 0 DHAERO C[C@H](NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)c1ccccc1Cl ZINC000262146284 341514343 /nfs/dbraw/zinc/51/43/43/341514343.db2.gz MTVKTBRFZXUBTD-DCGLDWPTSA-N 1 0 316.832 3.853 10 0 DHAERO CC(C)(C)C[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000262534377 341524460 /nfs/dbraw/zinc/52/44/60/341524460.db2.gz QDBGRIGDYXSYLM-SJORKVTESA-N 1 0 302.462 3.812 10 0 DHAERO COc1ccccc1C[C@H]([NH2+]CCc1ccccc1O)C(C)C ZINC000155005383 341599816 /nfs/dbraw/zinc/59/98/16/341599816.db2.gz FCKMWXKPGQPSMJ-SFHVURJKSA-N 1 0 313.441 3.800 10 0 DHAERO CC(C)[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000159014890 519792381 /nfs/dbraw/zinc/79/23/81/519792381.db2.gz OHFDXCWRAYUNAA-CYBMUJFWSA-N 1 0 308.853 3.579 10 0 DHAERO CC(C)[C@H]([NH3+])CCN(C)Cc1ccc(F)cc1C(F)(F)F ZINC000156697516 519817692 /nfs/dbraw/zinc/81/76/92/519817692.db2.gz ZCXHVPFFOWCZTP-CQSZACIVSA-N 1 0 306.347 3.650 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc3c(c1)CCC3)CC2 ZINC000180515955 519896852 /nfs/dbraw/zinc/89/68/52/519896852.db2.gz YCJITTJBQZWDPN-KSSFIOAISA-N 1 0 324.472 3.556 10 0 DHAERO CCC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccsc1 ZINC000187785192 520791759 /nfs/dbraw/zinc/79/17/59/520791759.db2.gz PRMXJOTZZPYNQL-HZPDHXFCSA-N 1 0 316.474 3.638 10 0 DHAERO CCC[C@H](C(=O)Nc1ccc(CCC(F)(F)F)cc1)[NH+](C)C ZINC000152876530 520987621 /nfs/dbraw/zinc/98/76/21/520987621.db2.gz DLKDEISRWBQRRE-CQSZACIVSA-N 1 0 316.367 3.850 10 0 DHAERO CC[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)C(C)(C)c1ccccc1 ZINC000180006375 522899264 /nfs/dbraw/zinc/89/92/64/522899264.db2.gz ZNTCWXYCKRDJGX-MRXNPFEDSA-N 1 0 312.461 3.539 10 0 DHAERO C[N@H+](CCOCc1ccccc1)Cc1ccc2ccccc2n1 ZINC000154685868 522901210 /nfs/dbraw/zinc/90/12/10/522901210.db2.gz AGXDMRNGFZMVHM-UHFFFAOYSA-N 1 0 306.409 3.883 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(F)F)c1 ZINC000181823881 523480041 /nfs/dbraw/zinc/48/00/41/523480041.db2.gz WSSUHEUDDFAXAI-HUUCEWRRSA-N 1 0 323.387 3.715 10 0 DHAERO CCc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190488136 523928705 /nfs/dbraw/zinc/92/87/05/523928705.db2.gz YJGYYFHITOMRGV-OAQYLSRUSA-N 1 0 323.484 3.598 10 0 DHAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000180522062 524027552 /nfs/dbraw/zinc/02/75/52/524027552.db2.gz MBTZSPXCXHZXKD-PBHICJAKSA-N 1 0 312.461 3.630 10 0 DHAERO C[C@@H]([NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccccn1 ZINC000181804602 525498620 /nfs/dbraw/zinc/49/86/20/525498620.db2.gz BEVHKFNEXZUZQN-IUODEOHRSA-N 1 0 315.804 3.579 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C)c1cccnc1 ZINC000187755349 525554012 /nfs/dbraw/zinc/55/40/12/525554012.db2.gz KQDJRAOVSMICAZ-OFQRWUPVSA-N 1 0 319.449 3.520 10 0 DHAERO Cc1c(C[NH2+][C@@H](c2ccccc2)c2ccccc2C)cnn1C ZINC000181026423 525726960 /nfs/dbraw/zinc/72/69/60/525726960.db2.gz XFHJRAXATRYGQG-FQEVSTJZSA-N 1 0 305.425 3.916 10 0 DHAERO Cc1c([C@@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)cnn1C(C)(C)C ZINC000191266900 525903141 /nfs/dbraw/zinc/90/31/41/525903141.db2.gz BTHPTOZGZWZBML-ZIAGYGMSSA-N 1 0 315.461 3.934 10 0 DHAERO Cc1c2cc(Cl)ccc2oc1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237793584 525952859 /nfs/dbraw/zinc/95/28/59/525952859.db2.gz YZHHLJNUYILXOZ-GFCCVEGCSA-N 1 0 320.820 3.514 10 0 DHAERO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000181117627 526176609 /nfs/dbraw/zinc/17/66/09/526176609.db2.gz MHQZGOHTHNHDEL-LSDHHAIUSA-N 1 0 322.412 3.718 10 0 DHAERO Cc1nc(C[NH2+][C@@H](C)[C@H]2CCCO2)oc1-c1ccc(Cl)cc1 ZINC000183110473 526888728 /nfs/dbraw/zinc/88/87/28/526888728.db2.gz FLLFRBBIOQQPQL-XHDPSFHLSA-N 1 0 320.820 3.961 10 0 DHAERO [NH3+]C[C@@H]1CCCCN1C(=O)CC1CCC(c2ccccc2)CC1 ZINC000237821579 527207236 /nfs/dbraw/zinc/20/72/36/527207236.db2.gz STCREFLVTBFNGP-KVZIAJEVSA-N 1 0 314.473 3.690 10 0 DHAERO [NH3+][C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2Cl)C2CCCC2)C1 ZINC000156314000 527364884 /nfs/dbraw/zinc/36/48/84/527364884.db2.gz USXBSNGJMWDJFO-UKRRQHHQSA-N 1 0 320.864 3.739 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000180129897 527449398 /nfs/dbraw/zinc/44/93/98/527449398.db2.gz OAIBYXFAYMYYGQ-OAHLLOKOSA-N 1 0 307.800 3.649 10 0 DHAERO OC[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1c1ccsc1 ZINC000188064156 527593355 /nfs/dbraw/zinc/59/33/55/527593355.db2.gz UBWHWGZWZLETQS-WMZOPIPTSA-N 1 0 319.445 3.528 10 0 DHAERO OC[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@H]1c1ccsc1 ZINC000188146217 527594858 /nfs/dbraw/zinc/59/48/58/527594858.db2.gz QOHLQSSYHSNJMS-AAEUAGOBSA-N 1 0 313.875 3.671 10 0 DHAERO Cc1ccc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1Cl ZINC000675055800 563909899 /nfs/dbraw/zinc/90/98/99/563909899.db2.gz YIXPAEGJGMDTFJ-UKRRQHHQSA-N 1 0 324.852 3.966 10 0 DHAERO [NH3+][C@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000050329929 563467904 /nfs/dbraw/zinc/46/79/04/563467904.db2.gz GLNACDVDBRUSGA-JTQLQIEISA-N 1 0 309.232 3.909 10 0 DHAERO C[C@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)[NH2+]CCc1ccsc12 ZINC000712516440 563319941 /nfs/dbraw/zinc/31/99/41/563319941.db2.gz UHUADMJORYLNES-SJCJKPOMSA-N 1 0 322.474 3.509 10 0 DHAERO Brc1cc([C@H]2[NH2+]CCc3ccsc32)cs1 ZINC000712526138 563321238 /nfs/dbraw/zinc/32/12/38/563321238.db2.gz BTMQPDDOZACVMO-SNVBAGLBSA-N 1 0 300.246 3.807 10 0 DHAERO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000169616762 563646920 /nfs/dbraw/zinc/64/69/20/563646920.db2.gz IBDBUXNMQVARBX-INMHGKMJSA-N 1 0 318.461 3.953 10 0 DHAERO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000169616757 563647106 /nfs/dbraw/zinc/64/71/06/563647106.db2.gz WZVGIPUTVFCAAB-INMHGKMJSA-N 1 0 318.461 3.810 10 0 DHAERO Cc1ccc2c(C)nc(N3CCC[C@H]([NH2+]C(C)C)CC3)nc2c1 ZINC000012217761 563681772 /nfs/dbraw/zinc/68/17/72/563681772.db2.gz HENWDQIZNIYIEW-INIZCTEOSA-N 1 0 312.461 3.604 10 0 DHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1cccc(Cl)c1 ZINC000675052427 563780574 /nfs/dbraw/zinc/78/05/74/563780574.db2.gz AFUBPSKHCFJUFG-KGLIPLIRSA-N 1 0 310.825 3.739 10 0 DHAERO Cc1ccc([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1F ZINC000675052496 563781042 /nfs/dbraw/zinc/78/10/42/563781042.db2.gz ASHKHVHUGQGJDY-ZFWWWQNUSA-N 1 0 308.397 3.533 10 0 DHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000675053107 563856691 /nfs/dbraw/zinc/85/66/91/563856691.db2.gz FVHBBNIUEMMMEE-BXUZGUMPSA-N 1 0 310.825 3.658 10 0 DHAERO CC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000036102386 563893555 /nfs/dbraw/zinc/89/35/55/563893555.db2.gz IPIIKLMRZOCMGC-GOSISDBHSA-N 1 0 317.404 3.607 10 0 DHAERO CCc1ccccc1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000006877286 563897970 /nfs/dbraw/zinc/89/79/70/563897970.db2.gz XEOVSNNAAGVWHZ-UHFFFAOYSA-N 1 0 315.461 3.589 10 0 DHAERO CCc1cccc([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675055824 563910003 /nfs/dbraw/zinc/91/00/03/563910003.db2.gz ZBTYPFOYMUIKQY-HZPDHXFCSA-N 1 0 304.434 3.648 10 0 DHAERO Brc1ccc([C@H]2[NH2+]CCc3sccc32)s1 ZINC000084723244 563912479 /nfs/dbraw/zinc/91/24/79/563912479.db2.gz VQKOIYMHVJHQEL-NSHDSACASA-N 1 0 300.246 3.807 10 0 DHAERO CC[N@H+]1CC=C(c2nc3cc(Br)ccc3o2)CC1 ZINC000226251040 563913282 /nfs/dbraw/zinc/91/32/82/563913282.db2.gz BBSDGLLGJJZGPJ-UHFFFAOYSA-N 1 0 307.191 3.699 10 0 DHAERO C[C@H]1CCC[N@@H+]([C@@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685952265 568422169 /nfs/dbraw/zinc/42/21/69/568422169.db2.gz CJFHCYHXSQYCTB-YJBOKZPZSA-N 1 0 310.482 3.898 10 0 DHAERO C[C@H]1CCC[N@@H+]([C@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685952263 568422151 /nfs/dbraw/zinc/42/21/51/568422151.db2.gz CJFHCYHXSQYCTB-MAUKXSAKSA-N 1 0 310.482 3.898 10 0 DHAERO CC[NH+](CC)Cc1ccc(-c2c[nH]c(=O)c3cccc(O)c32)cc1 ZINC000090450412 185297061 /nfs/dbraw/zinc/29/70/61/185297061.db2.gz DWWSCPZNFISZHW-UHFFFAOYSA-N 1 0 322.408 3.743 10 0 DHAERO CCC[NH2+][C@@H]1CCN([C@@H](C)c2ccc(Br)cc2)C1 ZINC000049526070 190678000 /nfs/dbraw/zinc/67/80/00/190678000.db2.gz GXURAOMUUMTIRO-SWLSCSKDSA-N 1 0 311.267 3.584 10 0 DHAERO CCC[C@H](C)C[C@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000068591357 190776679 /nfs/dbraw/zinc/77/66/79/190776679.db2.gz JEWOSVLIBXFXHY-GOEBONIOSA-N 1 0 312.498 3.953 10 0 DHAERO c1coc(-c2n[nH]c(CC[NH2+]Cc3cccc4ccccc43)n2)c1 ZINC000069975357 190845504 /nfs/dbraw/zinc/84/55/04/190845504.db2.gz KMXKSQGFKLOCPC-UHFFFAOYSA-N 1 0 318.380 3.550 10 0 DHAERO CC(C)c1ccc(CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000150762225 186065150 /nfs/dbraw/zinc/06/51/50/186065150.db2.gz DBOHVJTZSLLGPG-QZTJIDSGSA-N 1 0 314.473 3.819 10 0 DHAERO CC(C)c1ccc(CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000150762239 186065323 /nfs/dbraw/zinc/06/53/23/186065323.db2.gz DBOHVJTZSLLGPG-ZWKOTPCHSA-N 1 0 314.473 3.819 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)Nc1cccc(OCc2cccc(C)c2)c1 ZINC000236812201 202021861 /nfs/dbraw/zinc/02/18/61/202021861.db2.gz FBDHBGIAIJVSNX-GOSISDBHSA-N 1 0 312.413 3.640 10 0 DHAERO CCC[C@H]([NH3+])C(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl ZINC000236838852 202032157 /nfs/dbraw/zinc/03/21/57/202032157.db2.gz HHFALULSHIEANT-ZDUSSCGKSA-N 1 0 317.260 3.558 10 0 DHAERO CCC(CC)(CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000236859712 202040115 /nfs/dbraw/zinc/04/01/15/202040115.db2.gz GDXNJQHEWSFJHA-CJNGLKHVSA-N 1 0 322.880 3.641 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000236907699 202064910 /nfs/dbraw/zinc/06/49/10/202064910.db2.gz QXNSCCMKGLIMJQ-SJORKVTESA-N 1 0 302.462 3.775 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000236939461 202082092 /nfs/dbraw/zinc/08/20/92/202082092.db2.gz GHLDWIJTFJWAJD-NSHDSACASA-N 1 0 300.855 3.906 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 ZINC000236952200 202090449 /nfs/dbraw/zinc/09/04/49/202090449.db2.gz NFTNUXRFYGNKNR-KRWDZBQOSA-N 1 0 314.385 3.553 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](CCC)c1cccc(C(F)(F)F)c1 ZINC000236985276 202109123 /nfs/dbraw/zinc/10/91/23/202109123.db2.gz WVPNWWBZMFYDAF-KGLIPLIRSA-N 1 0 316.367 3.790 10 0 DHAERO C[N@@H+]1CCc2cc(Cl)ccc2[C@@H](c2cccc3c2OCC3)C1 ZINC000005966890 181301950 /nfs/dbraw/zinc/30/19/50/181301950.db2.gz MAUFEMWATYGIAF-SFHVURJKSA-N 1 0 313.828 3.895 10 0 DHAERO C[C@@H](c1ccco1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000095089019 193421163 /nfs/dbraw/zinc/42/11/63/193421163.db2.gz SAGLLQZIQKPDDJ-ZDUSSCGKSA-N 1 0 308.422 3.577 10 0 DHAERO CCCCOCCC[NH2+]Cc1ccc(OCC)c(OCC)c1 ZINC000013719869 181883189 /nfs/dbraw/zinc/88/31/89/181883189.db2.gz DNPQRCRZPSZYMP-UHFFFAOYSA-N 1 0 309.450 3.780 10 0 DHAERO CC(=O)Nc1ccc(Sc2ccc(F)cc2[C@H](C)[NH3+])cc1 ZINC000019231261 182109572 /nfs/dbraw/zinc/10/95/72/182109572.db2.gz PQYHUYGCCLRLLV-JTQLQIEISA-N 1 0 304.390 3.955 10 0 DHAERO CCN1CCC[C@@H]1C[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000019368514 182119712 /nfs/dbraw/zinc/11/97/12/182119712.db2.gz QGZGPISOXZJTKU-CYBMUJFWSA-N 1 0 301.261 3.610 10 0 DHAERO CN([C@@H](C[NH3+])c1ccc(Br)s1)C1CCCCC1 ZINC000019407408 182121292 /nfs/dbraw/zinc/12/12/92/182121292.db2.gz IPXLLEOYPXYXDO-NSHDSACASA-N 1 0 317.296 3.775 10 0 DHAERO [NH3+]C[C@@H](c1ccc(Br)cc1)N1CCc2ccccc21 ZINC000019510549 182126726 /nfs/dbraw/zinc/12/67/26/182126726.db2.gz KWQYCHFDHZCYGO-INIZCTEOSA-N 1 0 317.230 3.512 10 0 DHAERO CCCCCOc1c(Br)cc(C[NH2+]C)cc1OC ZINC000019777155 182147738 /nfs/dbraw/zinc/14/77/38/182147738.db2.gz GQCPCNVUIBDUAA-UHFFFAOYSA-N 1 0 316.239 3.746 10 0 DHAERO NC(=[NH2+])c1ccc(Oc2ccc(F)cc2Br)cc1 ZINC000019866295 182158363 /nfs/dbraw/zinc/15/83/63/182158363.db2.gz VWGKARQGYJZFCD-UHFFFAOYSA-N 1 0 309.138 3.665 10 0 DHAERO [NH3+][C@@H](Cc1ccc(Br)cc1)c1ccc2c(c1)CCO2 ZINC000019971037 182171578 /nfs/dbraw/zinc/17/15/78/182171578.db2.gz KTZTWDKODXSDCX-HNNXBMFYSA-N 1 0 318.214 3.627 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2ccccc2Br)c(OC)c1 ZINC000019967688 182171835 /nfs/dbraw/zinc/17/18/35/182171835.db2.gz ZXKHLYSTIVXOPE-HNNXBMFYSA-N 1 0 322.202 3.514 10 0 DHAERO CN(Cc1ccc(F)cc1)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000020226280 182198954 /nfs/dbraw/zinc/19/89/54/182198954.db2.gz GWJXLQVAHYICMF-HNNXBMFYSA-N 1 0 310.775 3.750 10 0 DHAERO [NH3+]C[C@H](c1ccccc1Br)N1CCCCCCC1 ZINC000020265358 182201327 /nfs/dbraw/zinc/20/13/27/182201327.db2.gz HPVONFLUXRJJAT-OAHLLOKOSA-N 1 0 311.267 3.715 10 0 DHAERO Cc1cc2ncc([C@H](C)[NH2+][C@H](C)c3cccs3)c(C)n2n1 ZINC000020549299 182230144 /nfs/dbraw/zinc/23/01/44/182230144.db2.gz MUWPZDVECLIPHX-NWDGAFQWSA-N 1 0 300.431 3.819 10 0 DHAERO C[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876207 182251626 /nfs/dbraw/zinc/25/16/26/182251626.db2.gz CJJZUAUMDJFNEC-UHFFFAOYSA-N 1 0 309.768 3.786 10 0 DHAERO CCCOc1ccc(C[NH2+]Cc2ccccc2OC)cc1OC ZINC000020931263 182255411 /nfs/dbraw/zinc/25/54/11/182255411.db2.gz RHNIJVDHVHXWIM-UHFFFAOYSA-N 1 0 315.413 3.782 10 0 DHAERO CCCOc1ccc(C[NH2+]C[C@H]2CCCN2CC)cc1Cl ZINC000020967440 182257016 /nfs/dbraw/zinc/25/70/16/182257016.db2.gz VGJZSOYNMLTNNG-OAHLLOKOSA-N 1 0 310.869 3.703 10 0 DHAERO COc1ccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1OC ZINC000021782189 182288180 /nfs/dbraw/zinc/28/81/80/182288180.db2.gz SKBWQOIQDNDNHS-FQEVSTJZSA-N 1 0 320.392 3.687 10 0 DHAERO O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCCC[NH2+]1 ZINC000021792846 182289643 /nfs/dbraw/zinc/28/96/43/182289643.db2.gz KASWGWYGTZJLNC-SNVBAGLBSA-N 1 0 307.608 3.727 10 0 DHAERO CCOc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCN1CC ZINC000022936468 182342441 /nfs/dbraw/zinc/34/24/41/182342441.db2.gz PNGSDPIUNIBQKF-KRWDZBQOSA-N 1 0 312.457 3.812 10 0 DHAERO [NH3+]CCc1c[nH]c(CCC(c2ccccc2)c2ccccc2)n1 ZINC000038881558 183012063 /nfs/dbraw/zinc/01/20/63/183012063.db2.gz BPZGZNLONLANFE-UHFFFAOYSA-N 1 0 305.425 3.676 10 0 in-vitro DHAERO C[NH+](C)CCCn1c2ccc(Cl)cc2nc1-c1ccco1 ZINC000040404357 183062148 /nfs/dbraw/zinc/06/21/48/183062148.db2.gz OVUJAJGBIRKDQE-UHFFFAOYSA-N 1 0 303.793 3.901 10 0 DHAERO CC(C)C[NH2+]Cc1cc(Br)ccc1OC(C)C ZINC000040730167 183125612 /nfs/dbraw/zinc/12/56/12/183125612.db2.gz PZWQEINBYRBOAP-UHFFFAOYSA-N 1 0 300.240 3.982 10 0 DHAERO CC[C@H](C)[N@H+](CCOC)Cc1ccc(F)c(Br)c1 ZINC000042255913 183247253 /nfs/dbraw/zinc/24/72/53/183247253.db2.gz RJWYRYHFVHZZKY-NSHDSACASA-N 1 0 318.230 3.835 10 0 DHAERO CCCO[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000042424665 183268622 /nfs/dbraw/zinc/26/86/22/183268622.db2.gz XIABZIMQCLMRHM-CQSZACIVSA-N 1 0 312.251 3.840 10 0 DHAERO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)C(N)=S ZINC000042444111 183271449 /nfs/dbraw/zinc/27/14/49/183271449.db2.gz JQMRAOWIGGWAJC-SECBINFHSA-N 1 0 305.274 3.738 10 0 DHAERO CC(C)[N@H+](CCC(N)=S)Cc1ccc(Cl)c(Cl)c1 ZINC000042529414 183280899 /nfs/dbraw/zinc/28/08/99/183280899.db2.gz YIPVRURMCRJLKP-UHFFFAOYSA-N 1 0 305.274 3.880 10 0 DHAERO C[C@@H]([NH2+]C1CCS(=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000042335970 183255557 /nfs/dbraw/zinc/25/55/57/183255557.db2.gz QHHWCZXATYONNL-OAEZARSSSA-N 1 0 306.258 3.555 10 0 DHAERO CC(C)CN([C@H](C[NH3+])c1ccc(Br)s1)C1CC1 ZINC000042555296 183283811 /nfs/dbraw/zinc/28/38/11/183283811.db2.gz PQNKNDHQFIOVFI-LLVKDONJSA-N 1 0 317.296 3.631 10 0 DHAERO CC(C)C[C@@H](C)N(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000042577488 183286813 /nfs/dbraw/zinc/28/68/13/183286813.db2.gz YMFMNTSBHQGIRH-DOMZBBRYSA-N 1 0 313.283 3.815 10 0 DHAERO CC(C)C[N@H+](C(C)C)[C@H](CN)c1ccc(Br)s1 ZINC000042579776 183287127 /nfs/dbraw/zinc/28/71/27/183287127.db2.gz RERQRTIWAJHMRR-LLVKDONJSA-N 1 0 319.312 3.877 10 0 DHAERO C[C@@H](C[NH+]1CCCC1)N[C@@H](C)c1ccccc1Br ZINC000042597525 183289639 /nfs/dbraw/zinc/28/96/39/183289639.db2.gz JERUTYQBGQDATQ-STQMWFEESA-N 1 0 311.267 3.584 10 0 DHAERO CCCC[N@H+]([C@@H](C)CC)[C@@H](CN)c1ccc(Br)o1 ZINC000042602920 183290327 /nfs/dbraw/zinc/29/03/27/183290327.db2.gz JTKDUDZIINBVOQ-RYUDHWBXSA-N 1 0 317.271 3.943 10 0 DHAERO C[C@@H]([N@H+](C)CC(=O)c1ccc(Br)cc1)C(C)(C)C ZINC000042773590 183306667 /nfs/dbraw/zinc/30/66/67/183306667.db2.gz JDBCXEQIQPILGH-LLVKDONJSA-N 1 0 312.251 3.998 10 0 DHAERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCC(C)CC1 ZINC000042951679 183321033 /nfs/dbraw/zinc/32/10/33/183321033.db2.gz XRJYBVOVDGCWGP-SWLSCSKDSA-N 1 0 311.267 3.569 10 0 DHAERO Cc1nn([C@H](c2ccc(Br)cc2)[C@H](C)[NH3+])c(C)c1C ZINC000042956121 183322626 /nfs/dbraw/zinc/32/26/26/183322626.db2.gz VNLVAJNLMYKWIH-BONVTDFDSA-N 1 0 322.250 3.507 10 0 DHAERO CC(C)c1nccn1[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042955993 183323003 /nfs/dbraw/zinc/32/30/03/183323003.db2.gz UXPSGOUBYKCJQR-FZMZJTMJSA-N 1 0 322.250 3.706 10 0 DHAERO [NH3+]C[C@@H](Sc1ccccn1)c1ccc(Br)cc1 ZINC000042958927 183323365 /nfs/dbraw/zinc/32/33/65/183323365.db2.gz IYONLVROHSLJDB-GFCCVEGCSA-N 1 0 309.232 3.636 10 0 DHAERO [NH3+]C[C@H](Oc1ccccc1Br)c1cccc(F)c1 ZINC000042973873 183325703 /nfs/dbraw/zinc/32/57/03/183325703.db2.gz WDFNURHOUBWZJU-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO CCC[NH+](CCC)[C@H](c1cccc(Br)c1)[C@H](C)N ZINC000043019947 183329029 /nfs/dbraw/zinc/32/90/29/183329029.db2.gz MKSJAESILHQSSI-WFASDCNBSA-N 1 0 313.283 3.959 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCC[C@@H]1C ZINC000043021030 183330070 /nfs/dbraw/zinc/33/00/70/183330070.db2.gz ILIMWBRAZWUPAK-NILFDRSVSA-N 1 0 311.267 3.712 10 0 DHAERO Cc1ccccc1O[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043022610 183330584 /nfs/dbraw/zinc/33/05/84/183330584.db2.gz XHWQFAWTTWBMMY-HNNXBMFYSA-N 1 0 306.203 3.836 10 0 DHAERO Cc1ccc(O[C@@H](C[NH3+])c2cccc(Br)c2)cc1 ZINC000043022785 183330626 /nfs/dbraw/zinc/33/06/26/183330626.db2.gz HBHOCUCSZGLVME-HNNXBMFYSA-N 1 0 306.203 3.836 10 0 DHAERO Fc1ccccc1-c1n[nH]c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000043022863 183330834 /nfs/dbraw/zinc/33/08/34/183330834.db2.gz YABHYNDVOLXXBD-UHFFFAOYSA-N 1 0 307.372 3.774 10 0 DHAERO CC[C@H]([NH3+])[C@H](SCCOC)c1cccc(Br)c1 ZINC000043024905 183331157 /nfs/dbraw/zinc/33/11/57/183331157.db2.gz MAYLNMZUULWVAZ-QWHCGFSZSA-N 1 0 318.280 3.607 10 0 DHAERO CC(C)C[C@@H](C)O[C@H](C[NH3+])c1ccccc1Br ZINC000043094795 183337653 /nfs/dbraw/zinc/33/76/53/183337653.db2.gz SIIHMPRURMRVTG-BXUZGUMPSA-N 1 0 300.240 3.900 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N1CCCCCC1 ZINC000043090474 183335971 /nfs/dbraw/zinc/33/59/71/183335971.db2.gz BSDPHXQRYOIWOU-DOMZBBRYSA-N 1 0 311.267 3.713 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)N(CC)C(C)C ZINC000043091245 183336227 /nfs/dbraw/zinc/33/62/27/183336227.db2.gz OJBLXDJGKMQGHJ-GJZGRUSLSA-N 1 0 313.283 3.958 10 0 DHAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1)c1ccccc1Br ZINC000043094349 183336422 /nfs/dbraw/zinc/33/64/22/183336422.db2.gz MJOJLCXNLPIRAO-XHDPSFHLSA-N 1 0 306.203 3.916 10 0 DHAERO Cc1noc(CC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)n1 ZINC000105469967 194105777 /nfs/dbraw/zinc/10/57/77/194105777.db2.gz IPDBUIXRWDGLOF-UHFFFAOYSA-N 1 0 317.776 3.624 10 0 DHAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3F)C2)n1 ZINC000106178056 194189702 /nfs/dbraw/zinc/18/97/02/194189702.db2.gz JCPILBNBEQPMTF-XJKSGUPXSA-N 1 0 316.424 3.507 10 0 DHAERO CC[C@@H](C)[C@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000049596125 183744938 /nfs/dbraw/zinc/74/49/38/183744938.db2.gz MEHWCMPBUJNBAA-NEPJUHHUSA-N 1 0 300.240 3.852 10 0 DHAERO COc1ccc(C[C@]2([NH3+])CCC[C@@H](C)C2)cc1Br ZINC000049597824 183746202 /nfs/dbraw/zinc/74/62/02/183746202.db2.gz MISSRSHIVVDDLD-ABAIWWIYSA-N 1 0 312.251 3.908 10 0 DHAERO COc1ccc(C[C@H]([NH3+])c2cccs2)cc1Br ZINC000049598926 183746627 /nfs/dbraw/zinc/74/66/27/183746627.db2.gz YLOXKOVIAWNFCQ-NSHDSACASA-N 1 0 312.232 3.762 10 0 DHAERO FC(F)(F)c1cnc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000051918645 183842506 /nfs/dbraw/zinc/84/25/06/183842506.db2.gz ZNHHOZOWQROTCF-SECBINFHSA-N 1 0 308.731 3.522 10 0 DHAERO O[C@@H]1CCCC[C@@H]1[NH2+]C1CC(c2ccccc2Br)C1 ZINC000051997339 183845266 /nfs/dbraw/zinc/84/52/66/183845266.db2.gz HAKSUIQBLAODNP-UQZDFYISSA-N 1 0 324.262 3.588 10 0 DHAERO [NH3+][C@H](Cc1cc(Br)cs1)Cc1cccc(F)c1 ZINC000053830689 183914039 /nfs/dbraw/zinc/91/40/39/183914039.db2.gz BQESTRWDTSIYTL-LBPRGKRZSA-N 1 0 314.223 3.762 10 0 DHAERO C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1cccc(Cl)c1 ZINC000057382180 184036706 /nfs/dbraw/zinc/03/67/06/184036706.db2.gz MUXHRMVJUUTTHY-NSHDSACASA-N 1 0 306.768 3.768 10 0 DHAERO Cc1ccc(N[C@@H](C[NH3+])c2ccc(Br)cc2)cc1 ZINC000057634097 184042882 /nfs/dbraw/zinc/04/28/82/184042882.db2.gz MPKHKUSZMVEIHE-HNNXBMFYSA-N 1 0 305.219 3.869 10 0 DHAERO Cc1ccccc1[C@H](C[NH3+])Nc1ccc(Br)cc1 ZINC000057634066 184043042 /nfs/dbraw/zinc/04/30/42/184043042.db2.gz SXYKLPPLCMVCKD-HNNXBMFYSA-N 1 0 305.219 3.869 10 0 DHAERO C[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)CC1CCOCC1 ZINC000060703543 184154323 /nfs/dbraw/zinc/15/43/23/184154323.db2.gz SVGDEGBDFYKUPH-ZDUSSCGKSA-N 1 0 302.245 3.941 10 0 DHAERO CCC[NH2+][C@H](COCCC)Cc1cc(Br)cs1 ZINC000060702359 184154459 /nfs/dbraw/zinc/15/44/59/184154459.db2.gz VKOXAFGJPZILFR-LBPRGKRZSA-N 1 0 320.296 3.848 10 0 DHAERO COc1ccc(C[C@H]([NH3+])c2ccccc2Br)cc1F ZINC000060699868 184154476 /nfs/dbraw/zinc/15/44/76/184154476.db2.gz RCAARSCTXBKCMH-AWEZNQCLSA-N 1 0 324.193 3.839 10 0 DHAERO Cc1cccc(C[C@@H]([NH3+])Cc2ccc(Br)s2)c1 ZINC000060700238 184154566 /nfs/dbraw/zinc/15/45/66/184154566.db2.gz IFXVQMSAGPCMAO-GFCCVEGCSA-N 1 0 310.260 3.932 10 0 DHAERO CCOC(=O)C[C@H](C)C[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000061830354 184188984 /nfs/dbraw/zinc/18/89/84/184188984.db2.gz DOSPCWDYBRYVGO-NOZJJQNGSA-N 1 0 304.217 3.973 10 0 DHAERO Cc1ccccc1COc1ccc(CC[NH3+])cc1Br ZINC000062703922 184248731 /nfs/dbraw/zinc/24/87/31/184248731.db2.gz AGTCKZWLAVSMJP-UHFFFAOYSA-N 1 0 320.230 3.838 10 0 DHAERO CC(C)C[NH2+]Cc1ccc(OCC(F)F)c(Br)c1 ZINC000062728031 184250542 /nfs/dbraw/zinc/25/05/42/184250542.db2.gz QYAXSEZSWIIHOU-UHFFFAOYSA-N 1 0 322.193 3.839 10 0 DHAERO CC[NH2+][C@@H](c1ccc(C)nc1)c1cccc(Br)c1 ZINC000062949956 184262138 /nfs/dbraw/zinc/26/21/38/184262138.db2.gz TWMGCKADFRPKSP-OAHLLOKOSA-N 1 0 305.219 3.851 10 0 DHAERO CC1(C)CCC[N@@H+]1CC[C@H](O)c1ccccc1Br ZINC000063073607 184269170 /nfs/dbraw/zinc/26/91/70/184269170.db2.gz FPMZAYNPPZUOQS-AWEZNQCLSA-N 1 0 312.251 3.747 10 0 DHAERO C[NH+](C)[C@@H]1c2ccccc2[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000503716545 257209921 /nfs/dbraw/zinc/20/99/21/257209921.db2.gz GVWQHTDXXGHFEL-VAMGGRTRSA-N 1 0 310.416 3.658 10 0 DHAERO C[C@@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1cnn(C)c1 ZINC000163941054 132127457 /nfs/dbraw/zinc/12/74/57/132127457.db2.gz DGCUTMKNMFUQBG-RHSMWYFYSA-N 1 0 311.429 3.907 10 0 DHAERO CC[NH2+]Cc1cccc(NC(=O)c2c(F)cccc2Cl)c1 ZINC000036281361 331514113 /nfs/dbraw/zinc/51/41/13/331514113.db2.gz GGFIJXSFMPPTLG-UHFFFAOYSA-N 1 0 306.768 3.841 10 0 DHAERO CSc1ccc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000130042310 332022228 /nfs/dbraw/zinc/02/22/28/332022228.db2.gz VKRPCPJUZJESKC-MLGOLLRUSA-N 1 0 300.427 3.683 10 0 DHAERO CSc1ccccc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000130192126 332023284 /nfs/dbraw/zinc/02/32/84/332023284.db2.gz KAUYNXWUIAEPLY-MLGOLLRUSA-N 1 0 300.427 3.683 10 0 DHAERO C[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1Cl ZINC000040853851 332207154 /nfs/dbraw/zinc/20/71/54/332207154.db2.gz BCQPPHJJNQKVKZ-MLGOLLRUSA-N 1 0 302.805 3.607 10 0 DHAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(CSC(C)C)c1C ZINC000236901048 332244314 /nfs/dbraw/zinc/24/43/14/332244314.db2.gz DUGXECWFHIDDOH-BLLLJJGKSA-N 1 0 308.491 3.949 10 0 DHAERO CCOCC[N@@H+]1CCN(C/C(C)=C\c2ccccc2)C[C@@H]1CC ZINC000255021114 332266860 /nfs/dbraw/zinc/26/68/60/332266860.db2.gz ZRPXKUHTLONTPS-PUWPPSGDSA-N 1 0 316.489 3.523 10 0 DHAERO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)c1cccs1 ZINC000049529593 332315509 /nfs/dbraw/zinc/31/55/09/332315509.db2.gz JYEKGRNUVRRGSN-ZIAGYGMSSA-N 1 0 300.427 3.897 10 0 DHAERO Cc1ccccc1[C@@H]([NH2+]CCC(=O)NC(C)C)c1ccccc1 ZINC000180073893 333026765 /nfs/dbraw/zinc/02/67/65/333026765.db2.gz QKSOLUPBIWFIEU-FQEVSTJZSA-N 1 0 310.441 3.589 10 0 DHAERO Cc1ccccc1[C@@H]([NH2+]CCCn1cccn1)c1ccccc1 ZINC000180052618 333026834 /nfs/dbraw/zinc/02/68/34/333026834.db2.gz OTKPBMRBXLKHHM-FQEVSTJZSA-N 1 0 305.425 3.961 10 0 DHAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1F ZINC000390511573 333288077 /nfs/dbraw/zinc/28/80/77/333288077.db2.gz ASMIUMUMZPBERY-JKSUJKDBSA-N 1 0 301.405 3.952 10 0 DHAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000388587227 333358942 /nfs/dbraw/zinc/35/89/42/333358942.db2.gz XTWKFKYVTYLTSY-UHOFOFEASA-N 1 0 324.262 3.577 10 0 DHAERO CCC[C@H](C(=O)Nc1ccc(OC(C)C)cc1Cl)[NH+](C)C ZINC000188291699 333362925 /nfs/dbraw/zinc/36/29/25/333362925.db2.gz DIYHOCVNRRPYOF-OAHLLOKOSA-N 1 0 312.841 3.796 10 0 DHAERO C[C@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccc(Cl)c(Cl)c1 ZINC000040807393 333537953 /nfs/dbraw/zinc/53/79/53/333537953.db2.gz FNFMGFFWGKKUIP-JTQLQIEISA-N 1 0 323.223 3.943 10 0 DHAERO CCC[C@@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1ccsc1 ZINC000187777441 334272787 /nfs/dbraw/zinc/27/27/87/334272787.db2.gz PVWKNPPWEZINOJ-LSDHHAIUSA-N 1 0 318.490 3.909 10 0 DHAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000048769211 334296114 /nfs/dbraw/zinc/29/61/14/334296114.db2.gz WUZDOAPAPVPSQV-NSHDSACASA-N 1 0 316.232 3.599 10 0 DHAERO Cc1nc(C2([NH2+]C[C@H]3CCCC(F)(F)C3)CCCCC2)no1 ZINC000328672307 334747049 /nfs/dbraw/zinc/74/70/49/334747049.db2.gz IBKBRSGEYFOBLH-ZDUSSCGKSA-N 1 0 313.392 3.953 10 0 DHAERO CC[C@@H](CO)[NH2+][C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000188676482 334868707 /nfs/dbraw/zinc/86/87/07/334868707.db2.gz VCGWQEZLPKFZNY-KBXCAEBGSA-N 1 0 319.832 3.799 10 0 DHAERO C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1cccs1 ZINC000188989106 334880146 /nfs/dbraw/zinc/88/01/46/334880146.db2.gz ZKKFASTVHSKESC-CYBMUJFWSA-N 1 0 315.417 3.983 10 0 DHAERO CC(C)(CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)Cc1cccc(Cl)c1 ZINC000161977683 334897567 /nfs/dbraw/zinc/89/75/67/334897567.db2.gz HUYKJTYXFFPWSJ-ZBFHGGJFSA-N 1 0 322.880 3.542 10 0 DHAERO COc1cncc(C[NH2+][C@H](C)c2cccc(Br)c2)c1 ZINC000343706312 335189444 /nfs/dbraw/zinc/18/94/44/335189444.db2.gz GNAUDCJMUIWFEN-LLVKDONJSA-N 1 0 321.218 3.704 10 0 DHAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(-c2cccs2)n1 ZINC000113269007 335304203 /nfs/dbraw/zinc/30/42/03/335304203.db2.gz OUSXCFPSOKDFAM-GXTWGEPZSA-N 1 0 319.499 3.540 10 0 DHAERO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cn2)cc1 ZINC000102686441 335929972 /nfs/dbraw/zinc/92/99/72/335929972.db2.gz WGSZEPPYBKTMKO-LBPRGKRZSA-N 1 0 317.820 3.587 10 0 DHAERO COC(=O)C1CCC([NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000192438532 336032438 /nfs/dbraw/zinc/03/24/38/336032438.db2.gz WVRHTYKEOGCJRK-WHXUTIOJSA-N 1 0 301.839 3.784 10 0 DHAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc2cc[nH]c2c1 ZINC000333002686 336196060 /nfs/dbraw/zinc/19/60/60/336196060.db2.gz BCFMXDCMOMFFFQ-AWEZNQCLSA-N 1 0 314.433 3.554 10 0 DHAERO Fc1c(N2CC[N@@H+]3CCCC[C@H]3C2)ccc2c(Cl)ccnc12 ZINC000301219828 336295466 /nfs/dbraw/zinc/29/54/66/336295466.db2.gz AJNRWTZRNQEFTG-LBPRGKRZSA-N 1 0 319.811 3.702 10 0 DHAERO Fc1c(N2CC[NH+](CC3CC3)CC2)ccc2c(Cl)ccnc12 ZINC000301234889 336296103 /nfs/dbraw/zinc/29/61/03/336296103.db2.gz JWHHMPZLECIKOS-UHFFFAOYSA-N 1 0 319.811 3.559 10 0 DHAERO C[NH+](C)[C@H]1CCCN(c2ccc3c(Cl)ccnc3c2F)C1 ZINC000301297145 336299463 /nfs/dbraw/zinc/29/94/63/336299463.db2.gz YPWPUDJSKCFMRC-NSHDSACASA-N 1 0 307.800 3.558 10 0 DHAERO C[NH+](C)[C@@H]1CCCN(c2ccc3c(Cl)ccnc3c2F)C1 ZINC000301297143 336299508 /nfs/dbraw/zinc/29/95/08/336299508.db2.gz YPWPUDJSKCFMRC-LLVKDONJSA-N 1 0 307.800 3.558 10 0 DHAERO Cc1nn(C)c(C)c1C[C@H](C)Nc1cc[nH+]c2c(C)cccc12 ZINC000301670894 336322253 /nfs/dbraw/zinc/32/22/53/336322253.db2.gz NVUOEDYKHYOGDK-ZDUSSCGKSA-N 1 0 308.429 3.937 10 0 DHAERO Cc1cccc2c(N3CC[C@@H](Oc4cccnc4)C3)cc[nH+]c12 ZINC000301730570 336326239 /nfs/dbraw/zinc/32/62/39/336326239.db2.gz XIVFEKDBOKYTHD-MRXNPFEDSA-N 1 0 305.381 3.596 10 0 DHAERO CCC1(CC)CN(c2cc[nH+]c3ccc(C)cc32)CC[S@]1=O ZINC000302223565 336354858 /nfs/dbraw/zinc/35/48/58/336354858.db2.gz PRHQNEQIQJYXRI-JOCHJYFZSA-N 1 0 316.470 3.671 10 0 DHAERO CC(C)(C)c1nsc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)n1 ZINC000302552330 336361462 /nfs/dbraw/zinc/36/14/62/336361462.db2.gz WLSSLYQZUOYDGE-CQSZACIVSA-N 1 0 322.522 3.680 10 0 DHAERO CCCCOC[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000193358232 336699547 /nfs/dbraw/zinc/69/95/47/336699547.db2.gz QAVOYAFBMPTNPN-DLBZAZTESA-N 1 0 311.853 3.558 10 0 DHAERO COCCC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(Br)cc1 ZINC000120461017 336912180 /nfs/dbraw/zinc/91/21/80/336912180.db2.gz IRVIKQKSFFTKQD-BYCMXARLSA-N 1 0 312.251 3.915 10 0 DHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000122778292 337023786 /nfs/dbraw/zinc/02/37/86/337023786.db2.gz YHFLSQSUHPYUFI-SFHVURJKSA-N 1 0 323.440 3.650 10 0 DHAERO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000123044373 337034580 /nfs/dbraw/zinc/03/45/80/337034580.db2.gz HHGXKWPXDCQVBJ-KRZKXXONSA-N 1 0 311.429 3.550 10 0 DHAERO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123413220 337047915 /nfs/dbraw/zinc/04/79/15/337047915.db2.gz SZJGSNSGBURNIU-HZPDHXFCSA-N 1 0 322.518 3.558 10 0 DHAERO Cc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1Cl ZINC000193912768 337080474 /nfs/dbraw/zinc/08/04/74/337080474.db2.gz RQMRTJRYFPITSS-UHFFFAOYSA-N 1 0 303.837 3.757 10 0 DHAERO C[C@H]([NH2+]Cc1ccc2ccccc2n1)[C@H]1COc2ccccc21 ZINC000169107698 337080770 /nfs/dbraw/zinc/08/07/70/337080770.db2.gz XMLBXIHQMWACCS-KBXCAEBGSA-N 1 0 304.393 3.889 10 0 DHAERO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(OC(C)C)cc3)C2)c1 ZINC000171529560 337087932 /nfs/dbraw/zinc/08/79/32/337087932.db2.gz BBOZNAMOOAEHNC-SFHVURJKSA-N 1 0 313.445 3.816 10 0 DHAERO CCO[C@H]1C[C@@H]([N@H+](C)CCc2scnc2C)C12CCCC2 ZINC000172670657 337129421 /nfs/dbraw/zinc/12/94/21/337129421.db2.gz JLOACUFFHAUYAP-CVEARBPZSA-N 1 0 308.491 3.664 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175652972 337146827 /nfs/dbraw/zinc/14/68/27/337146827.db2.gz RAOISCDPFZCWFZ-DOTOQJQBSA-N 1 0 313.445 3.852 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1SC(C)C ZINC000177017970 337152781 /nfs/dbraw/zinc/15/27/81/337152781.db2.gz UNYMAGWMFFJMJJ-HNNXBMFYSA-N 1 0 320.502 3.743 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000177007318 337152866 /nfs/dbraw/zinc/15/28/66/337152866.db2.gz MMBKZFDRLJFGAZ-GFCCVEGCSA-N 1 0 315.244 3.550 10 0 DHAERO Cc1oc2nc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)nc(N)c2c1C ZINC000177989182 337159584 /nfs/dbraw/zinc/15/95/84/337159584.db2.gz UEXOUPCRPHCBKJ-KGLIPLIRSA-N 1 0 314.433 3.576 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000180120323 337171433 /nfs/dbraw/zinc/17/14/33/337171433.db2.gz GHNIIIRPUZMNPK-KRWDZBQOSA-N 1 0 301.409 3.730 10 0 DHAERO CCn1cc(C2CC[NH+](Cc3cc(F)ccc3C)CC2)cn1 ZINC000180038161 337173358 /nfs/dbraw/zinc/17/33/58/337173358.db2.gz IBEPACGLPAGYME-UHFFFAOYSA-N 1 0 301.409 3.730 10 0 DHAERO Cc1csc([C@@H]2CCC[N@H+](CCCC(=O)OC(C)(C)C)C2)n1 ZINC000181651760 337183571 /nfs/dbraw/zinc/18/35/71/337183571.db2.gz MSSQTLBOQDUPNC-CQSZACIVSA-N 1 0 324.490 3.753 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1c(C)cccc1SC ZINC000184954937 337201950 /nfs/dbraw/zinc/20/19/50/337201950.db2.gz IUBDZFHBBPHQHN-AWEZNQCLSA-N 1 0 321.490 3.665 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3sccc32)C12CCOCC2 ZINC000186509316 337257280 /nfs/dbraw/zinc/25/72/80/337257280.db2.gz PDGPOQUNBCYZIF-DJIMGWMZSA-N 1 0 321.486 3.689 10 0 DHAERO COc1ccc([C@H](C)[NH2+][C@H](C)C2CCSCC2)cc1OC ZINC000187071235 337261617 /nfs/dbraw/zinc/26/16/17/337261617.db2.gz IBZSCURMOCQBKN-OLZOCXBDSA-N 1 0 309.475 3.886 10 0 DHAERO C[C@H]([NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)c1nnc2n1CCCC2 ZINC000188089319 337270465 /nfs/dbraw/zinc/27/04/65/337270465.db2.gz DMJOKSRCUHKOSS-CGTJXYLNSA-N 1 0 324.472 3.676 10 0 DHAERO CCc1csc([C@@H]2CCC[N@H+](Cc3ccc(F)nc3)C2)n1 ZINC000189315100 337278684 /nfs/dbraw/zinc/27/86/84/337278684.db2.gz XKCVLBZZGRDUOU-CYBMUJFWSA-N 1 0 305.422 3.619 10 0 DHAERO CCc1cccc(C[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)c1 ZINC000190069443 337285068 /nfs/dbraw/zinc/28/50/68/337285068.db2.gz SNXCALNZNXGGTL-MSOLQXFVSA-N 1 0 301.455 3.518 10 0 DHAERO Cc1c[nH+]ccc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000192550799 337306327 /nfs/dbraw/zinc/30/63/27/337306327.db2.gz AZADPAVUSLFKQU-AWEZNQCLSA-N 1 0 317.458 3.722 10 0 DHAERO COCc1nc2n(n1)CCC[C@H]2[NH2+]CC[C@H](C)CCC=C(C)C ZINC000193301721 337309700 /nfs/dbraw/zinc/30/97/00/337309700.db2.gz XOVTZXANLXOWHC-HZPDHXFCSA-N 1 0 320.481 3.622 10 0 DHAERO COc1ccc(C(=O)[C@@H]2CCCC[C@@H]2[NH+]2CCCCC2)cc1 ZINC000584605184 337371387 /nfs/dbraw/zinc/37/13/87/337371387.db2.gz DGXRLLURGNXNBI-MSOLQXFVSA-N 1 0 301.430 3.923 10 0 DHAERO COCCCOc1cc2c(cc1OC)C=N[C@H](C(C)(C)C)C2 ZINC000584606146 337371729 /nfs/dbraw/zinc/37/17/29/337371729.db2.gz GZAXORCUMWRYRG-KRWDZBQOSA-N 1 0 305.418 3.500 10 0 DHAERO C[C@@H]([NH2+]Cc1ccccc1)C(=O)Nc1cnc(Cl)cc1Cl ZINC000584649088 337380528 /nfs/dbraw/zinc/38/05/28/337380528.db2.gz VKKTXHBKHFLFPU-SNVBAGLBSA-N 1 0 324.211 3.505 10 0 DHAERO Cc1ccccc1NC(=S)NCCC[NH2+]C1CCCCC1 ZINC000584650408 337380769 /nfs/dbraw/zinc/38/07/69/337380769.db2.gz IPNLYLVPXIRVBT-UHFFFAOYSA-N 1 0 305.491 3.594 10 0 DHAERO CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116211102 337392578 /nfs/dbraw/zinc/39/25/78/337392578.db2.gz KXVYOBJRRDPYGC-MRXNPFEDSA-N 1 0 306.450 3.845 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc21)[C@@H]1CCCO1 ZINC000040226705 337397775 /nfs/dbraw/zinc/39/77/75/337397775.db2.gz QPEFATDXNKJMAQ-VQISRLSMSA-N 1 0 310.235 3.594 10 0 DHAERO CC[C@@H]([NH2+][C@H](CO)CC(C)C)c1cccc(Br)c1 ZINC000040775959 337398808 /nfs/dbraw/zinc/39/88/08/337398808.db2.gz SNHQLVRYIDOLHK-LSDHHAIUSA-N 1 0 314.267 3.897 10 0 DHAERO CC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1cccc(Br)c1 ZINC000040775963 337398841 /nfs/dbraw/zinc/39/88/41/337398841.db2.gz SNHQLVRYIDOLHK-HUUCEWRRSA-N 1 0 314.267 3.897 10 0 DHAERO [NH3+][C@H]1CCCN(CCSc2cc(Cl)ccc2Cl)C1 ZINC000041029149 337400104 /nfs/dbraw/zinc/40/01/04/337400104.db2.gz BMAUSWLVKBQUQO-NSHDSACASA-N 1 0 305.274 3.509 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C12CCOCC2 ZINC000248633237 337566425 /nfs/dbraw/zinc/56/64/25/337566425.db2.gz ITNXQHWZIWCCER-KBAYOESNSA-N 1 0 303.446 3.620 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)c2ccccc2F)C12CCOCC2 ZINC000248644520 337566484 /nfs/dbraw/zinc/56/64/84/337566484.db2.gz QFJAPQROWZASPK-KZNAEPCWSA-N 1 0 321.436 3.841 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(C)s2)C12CCOCC2 ZINC000248926830 337568725 /nfs/dbraw/zinc/56/87/25/337568725.db2.gz GBAQKUMPOFADTQ-XOKHGSTOSA-N 1 0 323.502 3.551 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)c2ccccc2)C12CCOCC2 ZINC000248992095 337569135 /nfs/dbraw/zinc/56/91/35/337569135.db2.gz LGTXPGZJWAPXBU-KZNAEPCWSA-N 1 0 303.446 3.702 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)s2)C12CCOCC2 ZINC000248992168 337569154 /nfs/dbraw/zinc/56/91/54/337569154.db2.gz LHKNMASHUPNWNP-VNQPRFMTSA-N 1 0 309.475 3.681 10 0 DHAERO C[C@H]([NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)c1nnc2n1CCCC2 ZINC000249174508 337570011 /nfs/dbraw/zinc/57/00/11/337570011.db2.gz DMJOKSRCUHKOSS-SZMVWBNQSA-N 1 0 324.472 3.676 10 0 DHAERO CC(C)[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1Cl ZINC000261819495 337611157 /nfs/dbraw/zinc/61/11/57/337611157.db2.gz SMGSAICBDXKJJQ-IOASZLSFSA-N 1 0 308.853 3.528 10 0 DHAERO CC(C)Cc1ccc([C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000262613470 337619858 /nfs/dbraw/zinc/61/98/58/337619858.db2.gz KLFCDMKBYQHUAV-FHWLQOOXSA-N 1 0 314.473 3.580 10 0 DHAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000150822181 338148948 /nfs/dbraw/zinc/14/89/48/338148948.db2.gz GLQBLQAZZSIRQQ-MLGOLLRUSA-N 1 0 304.821 3.529 10 0 DHAERO C[C@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1cccc(O)c1 ZINC000194904709 338776406 /nfs/dbraw/zinc/77/64/06/338776406.db2.gz XKTDWBWULSZPOK-GJZGRUSLSA-N 1 0 307.397 3.990 10 0 DHAERO C[C@H]([NH2+]CCCC(C)(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400327808 340143774 /nfs/dbraw/zinc/14/37/74/340143774.db2.gz AXZQKXSNJHNCEZ-QWHCGFSZSA-N 1 0 320.424 3.657 10 0 DHAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000300411616 340225377 /nfs/dbraw/zinc/22/53/77/340225377.db2.gz OPNQBLJKKMVQNB-RCBQFDQVSA-N 1 0 324.262 3.577 10 0 DHAERO CC(C)CC[N@H+](C[C@H](O)COCc1ccccc1)C1CCCC1 ZINC000302929520 340286999 /nfs/dbraw/zinc/28/69/99/340286999.db2.gz JXICVTQNBQFYOW-FQEVSTJZSA-N 1 0 319.489 3.855 10 0 DHAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000512228955 340353158 /nfs/dbraw/zinc/35/31/58/340353158.db2.gz NFCHORQRCPXRJZ-WOJBJXKFSA-N 1 0 317.473 3.609 10 0 DHAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000174546871 340391269 /nfs/dbraw/zinc/39/12/69/340391269.db2.gz KKCMYPFWRTVEPW-BBRMVZONSA-N 1 0 323.868 3.527 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2C)C12CCOCC2 ZINC000185672783 340504151 /nfs/dbraw/zinc/50/41/51/340504151.db2.gz CVXLPOORXWRFGX-RTBURBONSA-N 1 0 317.473 3.676 10 0 DHAERO C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(C(C)(C)C)cc1 ZINC000189826348 340540179 /nfs/dbraw/zinc/54/01/79/340540179.db2.gz MOBUXFOLPTUVTA-RISCZKNCSA-N 1 0 303.368 3.948 10 0 DHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191509894 340554934 /nfs/dbraw/zinc/55/49/34/340554934.db2.gz SLBUUXCEARJNSG-XFBWCDHKSA-N 1 0 324.262 3.915 10 0 DHAERO CC(C)C[C@H](CO)[NH2+]Cc1cc(Br)ccc1Cl ZINC000225262267 340566100 /nfs/dbraw/zinc/56/61/00/340566100.db2.gz WXWGWNXMXANZPN-GFCCVEGCSA-N 1 0 320.658 3.599 10 0 DHAERO C[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000232307590 340631248 /nfs/dbraw/zinc/63/12/48/340631248.db2.gz KNYCHYPBIIOHRY-TVQRCGJNSA-N 1 0 316.232 3.585 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000133067883 341153443 /nfs/dbraw/zinc/15/34/43/341153443.db2.gz PWHJXHMMGHNKOB-WCQYABFASA-N 1 0 316.367 3.562 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)cc1C ZINC000245436289 341293751 /nfs/dbraw/zinc/29/37/51/341293751.db2.gz UXPNRUVESCLDJM-CABCVRRESA-N 1 0 321.852 3.739 10 0 DHAERO c1ccc(COc2ccc(CC[NH2+][C@H]3CCC[NH2+]CC3)cc2)cc1 ZINC000261542165 341295497 /nfs/dbraw/zinc/29/54/97/341295497.db2.gz BWWSPDTYHQOWQD-FQEVSTJZSA-N 1 0 324.468 3.540 10 0 DHAERO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000245505655 341298123 /nfs/dbraw/zinc/29/81/23/341298123.db2.gz GFYUMDPBSCQIAM-WMZOPIPTSA-N 1 0 318.436 3.584 10 0 DHAERO CC[N@@H+]1CC[C@@H](Nc2ccc(-n3ccnc3)c(Cl)c2)[C@@H](C)C1 ZINC000245608958 341305204 /nfs/dbraw/zinc/30/52/04/341305204.db2.gz UJVBSBFQLXGAGS-XJKSGUPXSA-N 1 0 318.852 3.668 10 0 DHAERO CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CCCC[C@H]3O)oc21 ZINC000245920746 341318332 /nfs/dbraw/zinc/31/83/32/341318332.db2.gz QPWOCNNNPBFYJK-AEGPPILISA-N 1 0 303.402 3.786 10 0 DHAERO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000245950712 341319346 /nfs/dbraw/zinc/31/93/46/341319346.db2.gz WWZKRWJEEBBGHM-WMZOPIPTSA-N 1 0 313.445 3.641 10 0 DHAERO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000245950710 341319507 /nfs/dbraw/zinc/31/95/07/341319507.db2.gz WWZKRWJEEBBGHM-FUHWJXTLSA-N 1 0 313.445 3.641 10 0 DHAERO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246115565 341327251 /nfs/dbraw/zinc/32/72/51/341327251.db2.gz KDZBRETUHJIKNW-KBPBESRZSA-N 1 0 317.383 3.855 10 0 DHAERO c1ccc(Oc2cccnc2)c(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000246246153 341337456 /nfs/dbraw/zinc/33/74/56/341337456.db2.gz VRPRFGCXCBPJIK-SFHVURJKSA-N 1 0 323.440 3.544 10 0 DHAERO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246351000 341343748 /nfs/dbraw/zinc/34/37/48/341343748.db2.gz MOJXIHBAAOEZEG-FPCVCCKLSA-N 1 0 304.434 3.595 10 0 DHAERO C[C@H](C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)c1ccccc1 ZINC000246743798 341356612 /nfs/dbraw/zinc/35/66/12/341356612.db2.gz PQOGIPZUGWNQIM-AZOIQLNYSA-N 1 0 317.379 3.876 10 0 DHAERO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000246789191 341357105 /nfs/dbraw/zinc/35/71/05/341357105.db2.gz SERPUABFDQWOCI-OAGGEKHMSA-N 1 0 311.347 3.922 10 0 DHAERO C[C@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1CCCO1 ZINC000247236771 341362504 /nfs/dbraw/zinc/36/25/04/341362504.db2.gz YRDAMEPOLMCNLQ-BHYGNILZSA-N 1 0 301.430 3.980 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(SCC(F)F)cc1 ZINC000247934349 341371313 /nfs/dbraw/zinc/37/13/13/341371313.db2.gz CHYVPVSMMINOMK-TUKIKUTGSA-N 1 0 315.429 3.998 10 0 DHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000248140127 341373931 /nfs/dbraw/zinc/37/39/31/341373931.db2.gz PNHBOOMYRFEZGY-FPMFFAJLSA-N 1 0 310.507 3.951 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C(C)=CCC[C@H]2C)C12CCOCC2 ZINC000248421593 341377415 /nfs/dbraw/zinc/37/74/15/341377415.db2.gz BWPJYUCJQQFATJ-ZJPYXAASSA-N 1 0 307.478 3.543 10 0 DHAERO C[C@@H]1C[C@H](C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC(C)(C)C1 ZINC000248569237 341380118 /nfs/dbraw/zinc/38/01/18/341380118.db2.gz NZZSVPUYWQFWDO-SQNIBIBYSA-N 1 0 320.521 3.783 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2C)C12CCOCC2 ZINC000249023781 341392223 /nfs/dbraw/zinc/39/22/23/341392223.db2.gz RDRWQDFIMBQLKD-BHIYHBOVSA-N 1 0 317.473 3.928 10 0 DHAERO CCC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccccc2Cl)C(C)C)C1 ZINC000091371299 341425453 /nfs/dbraw/zinc/42/54/53/341425453.db2.gz XPJOONROSCVQGF-CXAGYDPISA-N 1 0 308.853 3.638 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cccc(Br)c1 ZINC000148079784 341495435 /nfs/dbraw/zinc/49/54/35/341495435.db2.gz ZCXGPYUBRRFTOO-NILFDRSVSA-N 1 0 312.251 3.793 10 0 DHAERO C[NH2+]CCc1ccccc1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000262355346 341519918 /nfs/dbraw/zinc/51/99/18/341519918.db2.gz VSPDHIPGNSVQRU-CYBMUJFWSA-N 1 0 316.832 3.593 10 0 DHAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000276939026 341660726 /nfs/dbraw/zinc/66/07/26/341660726.db2.gz FUJFLALFOVEVHR-ZJUUUORDSA-N 1 0 324.671 3.557 10 0 DHAERO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000181918425 519733591 /nfs/dbraw/zinc/73/35/91/519733591.db2.gz OWRSZZVHLIGAFZ-ACJLOTCBSA-N 1 0 310.397 3.819 10 0 DHAERO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(C)o2)cc1 ZINC000124643397 521811301 /nfs/dbraw/zinc/81/13/01/521811301.db2.gz CCUJSKNODSPXQP-QGZVFWFLSA-N 1 0 312.413 3.675 10 0 DHAERO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)s1 ZINC000181636133 522033166 /nfs/dbraw/zinc/03/31/66/522033166.db2.gz VRDQMAGDMULRAC-VIFPVBQESA-N 1 0 311.353 3.664 10 0 DHAERO CCc1csc([C@H]2CCC[N@H+](CCc3scnc3C)C2)n1 ZINC000172531801 522117936 /nfs/dbraw/zinc/11/79/36/522117936.db2.gz WTRBRKCZNJXKOE-ZDUSSCGKSA-N 1 0 321.515 3.893 10 0 DHAERO CC[C@H]([NH2+]Cc1nnc(C(C)C)n1C)C(C)(C)c1ccccc1 ZINC000180004918 522673615 /nfs/dbraw/zinc/67/36/15/522673615.db2.gz CZHUJFXCRCMPGY-INIZCTEOSA-N 1 0 314.477 3.785 10 0 DHAERO CC[C@@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1F ZINC000181090787 522931260 /nfs/dbraw/zinc/93/12/60/522931260.db2.gz NBFYSCYWDYRDBK-CZUORRHYSA-N 1 0 316.424 3.596 10 0 DHAERO CCn1cc(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)cn1 ZINC000131227838 523387018 /nfs/dbraw/zinc/38/70/18/523387018.db2.gz LOHBGLUHAHNKMK-KRWDZBQOSA-N 1 0 311.429 3.829 10 0 DHAERO CCc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190488157 523928117 /nfs/dbraw/zinc/92/81/17/523928117.db2.gz YJGYYFHITOMRGV-NRFANRHFSA-N 1 0 323.484 3.598 10 0 DHAERO CCc1ccc([C@H](C)[NH2+]CCCCCS(=O)(=O)CC)cc1 ZINC000191038665 524045645 /nfs/dbraw/zinc/04/56/45/524045645.db2.gz HGLIKUYSYIPFSU-HNNXBMFYSA-N 1 0 311.491 3.505 10 0 DHAERO Cc1cccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1C ZINC000190479403 524404893 /nfs/dbraw/zinc/40/48/93/524404893.db2.gz NBMLYZLZYVENFY-FQEVSTJZSA-N 1 0 323.484 3.652 10 0 DHAERO COc1ccccc1C[C@H]([NH2+][C@@H](CCO)c1ccco1)C(C)C ZINC000186510989 524512172 /nfs/dbraw/zinc/51/21/72/524512172.db2.gz NVFFMGBVNXTKPG-IRXDYDNUSA-N 1 0 317.429 3.569 10 0 DHAERO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130100308 524754159 /nfs/dbraw/zinc/75/41/59/524754159.db2.gz VMFDFFRSTFRDQY-WBMJQRKESA-N 1 0 302.805 3.923 10 0 DHAERO C[C@H]([NH2+]Cc1csc(Nc2ccccc2)n1)[C@H]1CCCO1 ZINC000183102975 525482617 /nfs/dbraw/zinc/48/26/17/525482617.db2.gz PQMHOIOPWPPXMV-SWLSCSKDSA-N 1 0 303.431 3.544 10 0 DHAERO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H](C)c1nc2ccccc2s1 ZINC000186787771 525634278 /nfs/dbraw/zinc/63/42/78/525634278.db2.gz GLRUWZSYNYLGTG-RGCMKSIDSA-N 1 0 304.459 3.681 10 0 DHAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(-c2ccccc2)c1 ZINC000180604626 525634709 /nfs/dbraw/zinc/63/47/09/525634709.db2.gz PEYDZAZKHZTGKC-KXBFYZLASA-N 1 0 318.424 3.611 10 0 DHAERO Cc1ccc([C@@H]([NH3+])C(=O)N[C@H](C)c2ccc(Cl)s2)cc1 ZINC000228080631 525766323 /nfs/dbraw/zinc/76/63/23/525766323.db2.gz JEDMMQDJFWIMHU-QMTHXVAHSA-N 1 0 308.834 3.587 10 0 DHAERO Clc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)c(Br)c1 ZINC000127881046 526949399 /nfs/dbraw/zinc/94/93/99/526949399.db2.gz IWHLTSWRIMNWRO-WXHSDQCUSA-N 1 0 316.626 3.512 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000189079659 527441028 /nfs/dbraw/zinc/44/10/28/527441028.db2.gz XMIUGJMKTDTDGP-HNNXBMFYSA-N 1 0 307.800 3.649 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000180130392 527449973 /nfs/dbraw/zinc/44/99/73/527449973.db2.gz KXOPGZPYWHIJFW-CQSZACIVSA-N 1 0 318.490 3.610 10 0 DHAERO Cn1nccc1C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000191072661 527599586 /nfs/dbraw/zinc/59/95/86/527599586.db2.gz UFVGRNDCHJQCNX-UHFFFAOYSA-N 1 0 315.486 3.533 10 0 DHAERO Cn1nccc1C1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000188924906 527599748 /nfs/dbraw/zinc/59/97/48/527599748.db2.gz QTVABOCFZVPNLV-UHFFFAOYSA-N 1 0 307.800 3.592 10 0 DHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC000675053114 563856347 /nfs/dbraw/zinc/85/63/47/563856347.db2.gz FXKIEBFNZXYEMU-ZIAGYGMSSA-N 1 0 310.825 3.658 10 0 DHAERO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)OC(C)(C)C ZINC000068592809 563495007 /nfs/dbraw/zinc/49/50/07/563495007.db2.gz BNTFLGQCWGSTDE-FKEKPDDDSA-N 1 0 318.461 3.668 10 0 DHAERO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21 ZINC000000003897 563775265 /nfs/dbraw/zinc/77/52/65/563775265.db2.gz DMJWENQHWZZWDF-PKOBYXMFSA-N 1 0 313.828 3.980 10 0 investigational DHAERO Cc1c(Cl)cccc1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675053137 563856431 /nfs/dbraw/zinc/85/64/31/563856431.db2.gz GLCGQBFCIAZGQP-WFASDCNBSA-N 1 0 324.852 3.966 10 0 DHAERO CCc1ccc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000675054002 563861830 /nfs/dbraw/zinc/86/18/30/563861830.db2.gz LEGTYMCNEDUGLQ-HZPDHXFCSA-N 1 0 304.434 3.567 10 0 DHAERO CC(=O)N(C1CCC1)[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)CC1 ZINC000328632930 563929848 /nfs/dbraw/zinc/92/98/48/563929848.db2.gz LPAJUDSVQLGTHT-PKOBYXMFSA-N 1 0 304.478 3.598 10 0 DHAERO Cc1cc(C[C@H](C)[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)[nH]n1 ZINC000090532844 1032405678 /nfs/dbraw/zinc/40/56/78/1032405678.db2.gz YUMMKPRDRIXVAD-MEDUHNTESA-N 1 0 317.408 3.680 10 0 DHAERO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1cc[nH]c1)c1cccs1 ZINC000091891855 1032463585 /nfs/dbraw/zinc/46/35/85/1032463585.db2.gz GNCAXEDGQMLKCX-CVEARBPZSA-N 1 0 304.459 3.945 10 0 DHAERO c1csc(Cn2cccc2C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000093505076 1032543585 /nfs/dbraw/zinc/54/35/85/1032543585.db2.gz GZWPTEZPLBCLPJ-QAPCUYQASA-N 1 0 316.470 3.599 10 0 DHAERO FC(F)(F)c1csc([C@H]2CCC[N@H+](Cc3cc[nH]c3)C2)n1 ZINC000093772325 1032556491 /nfs/dbraw/zinc/55/64/91/1032556491.db2.gz BQQVOGMWTZCMSN-NSHDSACASA-N 1 0 315.364 3.870 10 0 DHAERO Clc1ccc(CN2CCC[N@@H+](C3CC3)CC2)c2ncccc12 ZINC000061040755 1025930522 /nfs/dbraw/zinc/93/05/22/1025930522.db2.gz YERWMVBTZSVWNN-UHFFFAOYSA-N 1 0 315.848 3.558 10 0 DHAERO CCN(Cc1ncc(-c2ccccc2Cl)o1)C[C@@H]1CCCO1 ZINC000075676102 1030669539 /nfs/dbraw/zinc/66/95/39/1030669539.db2.gz TXAABKAERSRLAJ-ZDUSSCGKSA-N 1 0 320.820 3.996 10 0 DHAERO CCCCN(Cc1ccccc1Cl)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236737114 201987303 /nfs/dbraw/zinc/98/73/03/201987303.db2.gz YJTWMVYSZBWBBB-DZGCQCFKSA-N 1 0 308.853 3.596 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N(CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000236793505 202010897 /nfs/dbraw/zinc/01/08/97/202010897.db2.gz LOUMTGJVLYKPMV-RISCZKNCSA-N 1 0 316.367 3.742 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000236797927 202014331 /nfs/dbraw/zinc/01/43/31/202014331.db2.gz KZDYNBCCIFJCQV-KRWDZBQOSA-N 1 0 318.367 3.625 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000236800156 202015381 /nfs/dbraw/zinc/01/53/81/202015381.db2.gz BILCMBPHBFCRLQ-HOTGVXAUSA-N 1 0 308.853 3.911 10 0 DHAERO CCC(=O)O[C@]1(Cc2ccc(C)cc2)C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000004474253 181111457 /nfs/dbraw/zinc/11/14/57/181111457.db2.gz GQGVETQCCLGIHQ-BXWFABGCSA-N 1 0 303.446 3.590 10 0 DHAERO C[C@H]1C[C@H]([NH+]2CCCCC2)CCN1C(=O)OCc1ccccc1 ZINC000073657209 191337623 /nfs/dbraw/zinc/33/76/23/191337623.db2.gz CMRKWFVADLHJDM-FUHWJXTLSA-N 1 0 316.445 3.662 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000236911558 202066259 /nfs/dbraw/zinc/06/62/59/202066259.db2.gz SVOJSIKIACZOGR-LPHOPBHVSA-N 1 0 322.408 3.766 10 0 DHAERO CC(C)[C@H]([C@@H](c1ccccc1)c1ccccn1)[NH+]1CCOCC1 ZINC000015784038 182017407 /nfs/dbraw/zinc/01/74/07/182017407.db2.gz XBSWXNXFFUYYAO-VQTJNVASSA-N 1 0 310.441 3.570 10 0 DHAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2c(Cl)cccc2Cl)C1 ZINC000019233283 182111143 /nfs/dbraw/zinc/11/11/43/182111143.db2.gz YUHRULRAJJATBG-WDMOLILDSA-N 1 0 301.261 3.971 10 0 DHAERO Cc1ccc([C@H]([NH3+])c2ccccc2I)cc1 ZINC000019504894 182126927 /nfs/dbraw/zinc/12/69/27/182126927.db2.gz JUSPCVGDXJFFJZ-AWEZNQCLSA-N 1 0 323.177 3.648 10 0 DHAERO CN(Cc1ccccc1)[C@@H](C[NH3+])c1ccccc1Br ZINC000019436329 182123268 /nfs/dbraw/zinc/12/32/68/182123268.db2.gz OFOOMHSAARBVLW-INIZCTEOSA-N 1 0 319.246 3.581 10 0 DHAERO C[NH2+]Cc1cc(Cl)c(OCc2ccccc2C)c(OC)c1 ZINC000019777667 182147732 /nfs/dbraw/zinc/14/77/32/182147732.db2.gz BBHHNKJQVQGBMU-UHFFFAOYSA-N 1 0 305.805 3.955 10 0 DHAERO CC[C@H]([NH2+][C@H]1CN2CCC1CC2)c1ccc(Br)cc1 ZINC000019947455 182169322 /nfs/dbraw/zinc/16/93/22/182169322.db2.gz RUHVSCLBJAZRHO-HOTGVXAUSA-N 1 0 323.278 3.584 10 0 DHAERO [NH3+][C@@H](c1ccc(F)c(F)c1)c1cc(F)ccc1Br ZINC000019968378 182171439 /nfs/dbraw/zinc/17/14/39/182171439.db2.gz KTYNXTVMOAHXFW-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO [NH3+][C@H](Cc1ccc(Br)cc1)c1cc(F)ccc1F ZINC000019969446 182171735 /nfs/dbraw/zinc/17/17/35/182171735.db2.gz YBKSIULQUFPXSX-CQSZACIVSA-N 1 0 312.157 3.970 10 0 DHAERO [NH3+][C@H](c1ccc(F)cc1F)c1ccc(Br)cc1F ZINC000019969034 182171759 /nfs/dbraw/zinc/17/17/59/182171759.db2.gz FMLSDTDMYNMXGL-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO [NH3+][C@H](c1ccc2c(c1)CCO2)c1cc(Br)ccc1F ZINC000019971138 182171802 /nfs/dbraw/zinc/17/18/02/182171802.db2.gz FHAYKWYJPRPLKF-OAHLLOKOSA-N 1 0 322.177 3.571 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)cc2F)c(C)c1 ZINC000019972189 182172121 /nfs/dbraw/zinc/17/21/21/182172121.db2.gz LMRGVOAATZDYCI-OAHLLOKOSA-N 1 0 324.193 3.953 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2ccccc2Br)c(C)c1 ZINC000019972053 182172446 /nfs/dbraw/zinc/17/24/46/182172446.db2.gz XRCYKVRYRCHATO-OAHLLOKOSA-N 1 0 306.203 3.814 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)cc2)c(C)c1 ZINC000019972067 182172543 /nfs/dbraw/zinc/17/25/43/182172543.db2.gz WNYVILGKWAIKNE-HNNXBMFYSA-N 1 0 306.203 3.814 10 0 DHAERO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1)N(C)C ZINC000020145580 182192561 /nfs/dbraw/zinc/19/25/61/182192561.db2.gz XTNUTBTVBBQHEQ-DOMZBBRYSA-N 1 0 313.283 3.686 10 0 DHAERO Cc1ccc(Oc2ccc(C(N)=[NH2+])cc2)c(Br)c1 ZINC000020077914 182184976 /nfs/dbraw/zinc/18/49/76/182184976.db2.gz ZUBGPCCUMAWWAO-UHFFFAOYSA-N 1 0 305.175 3.834 10 0 DHAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccccc2C(F)(F)F)C1 ZINC000020081924 182185092 /nfs/dbraw/zinc/18/50/92/182185092.db2.gz YAJXPLKAAMSQFW-HUBLWGQQSA-N 1 0 300.368 3.683 10 0 DHAERO CCN(c1ccccc1)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000020081986 182185513 /nfs/dbraw/zinc/18/55/13/182185513.db2.gz VNARKDBQSSXFHP-MRXNPFEDSA-N 1 0 319.246 3.975 10 0 DHAERO CCCOc1c(Cl)cc(C[NH2+]CCCOCC)cc1OC ZINC000020931463 182255138 /nfs/dbraw/zinc/25/51/38/182255138.db2.gz WSDOHHDJUGEUMQ-UHFFFAOYSA-N 1 0 315.841 3.654 10 0 DHAERO CCCOc1ccc(C[NH2+]Cc2ccccn2)cc1OCC ZINC000020933495 182255061 /nfs/dbraw/zinc/25/50/61/182255061.db2.gz LHMRAWGPTGKNLN-UHFFFAOYSA-N 1 0 300.402 3.559 10 0 DHAERO CCCCOCCC[NH2+]Cc1ccc(OCCC)c(OC)c1 ZINC000020931256 182255202 /nfs/dbraw/zinc/25/52/02/182255202.db2.gz MIKYUEGHKGGJCD-UHFFFAOYSA-N 1 0 309.450 3.780 10 0 DHAERO CCOc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCN1CC ZINC000022936471 182342481 /nfs/dbraw/zinc/34/24/81/182342481.db2.gz PNGSDPIUNIBQKF-QGZVFWFLSA-N 1 0 312.457 3.812 10 0 DHAERO CC[N@@H+](Cc1c(Cl)cccc1Cl)C[C@@H](C)C(N)=S ZINC000042444119 183270989 /nfs/dbraw/zinc/27/09/89/183270989.db2.gz DPYBPTLJELGLCN-SECBINFHSA-N 1 0 305.274 3.738 10 0 DHAERO CCCCC[C@H](C[NH3+])N(C)Cc1csc(Br)c1 ZINC000042361423 183258104 /nfs/dbraw/zinc/25/81/04/183258104.db2.gz UKMZOAHQAWEFGO-GFCCVEGCSA-N 1 0 319.312 3.850 10 0 DHAERO NC(=S)CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000042546595 183283132 /nfs/dbraw/zinc/28/31/32/183283132.db2.gz ULYLCXCXPPGINX-UHFFFAOYSA-N 1 0 303.258 3.634 10 0 DHAERO CC(C)C[C@@H](C)[N@H+](C)[C@@H](CN)c1ccc(Br)cc1 ZINC000042563430 183285229 /nfs/dbraw/zinc/28/52/29/183285229.db2.gz DMDDLJGPXFBGDP-DOMZBBRYSA-N 1 0 313.283 3.815 10 0 DHAERO CC(C)N(CC1CC1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042580498 183286411 /nfs/dbraw/zinc/28/64/11/183286411.db2.gz AGQQATWFUOGEBR-NSHDSACASA-N 1 0 317.296 3.631 10 0 DHAERO CC[C@@H]([NH2+]Cc1cc(Br)c(O)c(OC)c1)C(C)C ZINC000042584668 183288017 /nfs/dbraw/zinc/28/80/17/183288017.db2.gz YDLJTRLGEFHZAK-GFCCVEGCSA-N 1 0 316.239 3.688 10 0 DHAERO C[C@H](CN1CCCC1)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000042597282 183289515 /nfs/dbraw/zinc/28/95/15/183289515.db2.gz IVOQSDUXWMBBAO-CHWSQXEVSA-N 1 0 311.267 3.584 10 0 DHAERO CCC[N@H+](C(C)C)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952868 183321530 /nfs/dbraw/zinc/32/15/30/183321530.db2.gz WSMBTBZDWUPJFH-IUODEOHRSA-N 1 0 313.283 3.958 10 0 DHAERO CCc1nccn1[C@H](c1ccc(Br)cc1)[C@@H]([NH3+])CC ZINC000042956225 183322928 /nfs/dbraw/zinc/32/29/28/183322928.db2.gz UYPQIOQJBIPEDV-DZGCQCFKSA-N 1 0 322.250 3.535 10 0 DHAERO [NH3+]C[C@@H](Oc1ccccc1Br)c1cccc(F)c1 ZINC000042973874 183325255 /nfs/dbraw/zinc/32/52/55/183325255.db2.gz WDFNURHOUBWZJU-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(CC)C1CC1 ZINC000043020301 183329100 /nfs/dbraw/zinc/32/91/00/183329100.db2.gz DMKBRCXWHYYRSK-CABCVRRESA-N 1 0 311.267 3.712 10 0 DHAERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCC[C@@H]1C ZINC000043021032 183329349 /nfs/dbraw/zinc/32/93/49/183329349.db2.gz ILIMWBRAZWUPAK-GLQYFDAESA-N 1 0 311.267 3.712 10 0 DHAERO CCc1nccn1[C@@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043022270 183330016 /nfs/dbraw/zinc/33/00/16/183330016.db2.gz PEZRNONFRUVMAE-HIFRSBDPSA-N 1 0 322.250 3.535 10 0 DHAERO Cc1cccc(O[C@H](C[NH3+])c2cccc(Br)c2)c1 ZINC000043022595 183330726 /nfs/dbraw/zinc/33/07/26/183330726.db2.gz GWYFHMRXRYWZEH-OAHLLOKOSA-N 1 0 306.203 3.836 10 0 DHAERO CC(C)C[C@H](C)O[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043023135 183330842 /nfs/dbraw/zinc/33/08/42/183330842.db2.gz BMZUHROJDIWOEV-FZMZJTMJSA-N 1 0 300.240 3.900 10 0 DHAERO Cc1ccc(O[C@H](C[NH3+])c2ccccc2F)c(Br)c1 ZINC000043047991 183331886 /nfs/dbraw/zinc/33/18/86/183331886.db2.gz CWUIYLDVFRNYMX-OAHLLOKOSA-N 1 0 324.193 3.975 10 0 DHAERO Cc1ccccc1[C@@H](C[NH3+])Oc1cccc(Br)c1 ZINC000043038737 183332029 /nfs/dbraw/zinc/33/20/29/183332029.db2.gz ZXWTVNRAOTZHQV-OAHLLOKOSA-N 1 0 306.203 3.836 10 0 DHAERO Cc1ccccc1[C@@H](C[NH3+])Oc1ccc(Br)cc1F ZINC000043039777 183332056 /nfs/dbraw/zinc/33/20/56/183332056.db2.gz SAOHDQWDXNFRQR-OAHLLOKOSA-N 1 0 324.193 3.975 10 0 DHAERO CC[C@H]([NH3+])[C@H](OCC(C)C)c1ccccc1Br ZINC000043094616 183337574 /nfs/dbraw/zinc/33/75/74/183337574.db2.gz FBIVEEZNTSCZRO-UONOGXRCSA-N 1 0 300.240 3.900 10 0 DHAERO C[C@H]([NH3+])[C@@H](Oc1cccc(Br)c1)c1cccs1 ZINC000043108536 183338285 /nfs/dbraw/zinc/33/82/85/183338285.db2.gz QNNMABNPQXHULO-TVQRCGJNSA-N 1 0 312.232 3.978 10 0 DHAERO CC[C@@H](C)[C@H](C)[NH2+]CCOc1cccc(Br)c1 ZINC000049596121 183745412 /nfs/dbraw/zinc/74/54/12/183745412.db2.gz FIWHRMUSPCBJCD-NEPJUHHUSA-N 1 0 300.240 3.852 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](OC1CCC1)c1ccc(Br)s1 ZINC000050519322 183788564 /nfs/dbraw/zinc/78/85/64/183788564.db2.gz GQSCZAUEDHPUMR-BXKDBHETSA-N 1 0 304.253 3.858 10 0 DHAERO CC(C)[NH2+]C[C@H](Oc1ccc(Br)cc1)C(C)C ZINC000052664053 183867821 /nfs/dbraw/zinc/86/78/21/183867821.db2.gz XDRWGHDPEMVTSK-AWEZNQCLSA-N 1 0 300.240 3.851 10 0 DHAERO [NH3+][C@H](Cc1cccc(Cl)c1)c1ccc(Br)o1 ZINC000052944917 183881232 /nfs/dbraw/zinc/88/12/32/183881232.db2.gz FFCPVMPKNKOHJF-SNVBAGLBSA-N 1 0 300.583 3.938 10 0 DHAERO COCC[NH2+]C[C@H](Cc1sccc1Br)C(C)C ZINC000054663288 183947526 /nfs/dbraw/zinc/94/75/26/183947526.db2.gz BCJOJMISYJUNMP-NSHDSACASA-N 1 0 320.296 3.561 10 0 DHAERO CC[NH2+][C@H](C)c1cnc(-c2cccc(Br)c2)nc1C ZINC000054963011 183955590 /nfs/dbraw/zinc/95/55/90/183955590.db2.gz YZJJRHNXKSDAQA-SNVBAGLBSA-N 1 0 320.234 3.885 10 0 DHAERO [NH3+]C[C@H](Nc1ccccc1F)c1cccc(Br)c1 ZINC000057653632 184043917 /nfs/dbraw/zinc/04/39/17/184043917.db2.gz YOPFCUZYIPVULH-AWEZNQCLSA-N 1 0 309.182 3.700 10 0 DHAERO Cc1ccccc1N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000057634088 184042909 /nfs/dbraw/zinc/04/29/09/184042909.db2.gz HLRQVXDQYRKHDQ-HNNXBMFYSA-N 1 0 305.219 3.869 10 0 DHAERO O=C1N(c2ccc(Oc3ccccc3)cc2)CC[C@]12CCC[NH2+]C2 ZINC000059711528 184140061 /nfs/dbraw/zinc/14/00/61/184140061.db2.gz LASCVADFEKYUHE-FQEVSTJZSA-N 1 0 322.408 3.585 10 0 DHAERO [NH3+][C@H](Cc1cccc(F)c1F)c1ccccc1Br ZINC000060699947 184154389 /nfs/dbraw/zinc/15/43/89/184154389.db2.gz NCRFMUZHCIRGOB-CYBMUJFWSA-N 1 0 312.157 3.970 10 0 DHAERO Cc1ccccc1C[C@H]([NH3+])Cc1ccc(Br)s1 ZINC000060699573 184154474 /nfs/dbraw/zinc/15/44/74/184154474.db2.gz AAHSGZPIZCSHSZ-LBPRGKRZSA-N 1 0 310.260 3.932 10 0 DHAERO C[NH2+][C@@H](C)[C@H](Cc1ccc(OC)c(Br)c1)C(C)C ZINC000061686811 184183137 /nfs/dbraw/zinc/18/31/37/184183137.db2.gz NGAQWCOFYHUAAU-WCQYABFASA-N 1 0 314.267 3.880 10 0 DHAERO CCC[NH2+][C@@H](C)c1ccc(-n2cccn2)c(Br)c1 ZINC000061698279 184183835 /nfs/dbraw/zinc/18/38/35/184183835.db2.gz CZACAVWQUNJGQA-NSHDSACASA-N 1 0 308.223 3.695 10 0 DHAERO C[N@@H+]1CC[C@H](Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000061985115 184199945 /nfs/dbraw/zinc/19/99/45/184199945.db2.gz KCXUQGHLLUTNRF-VIFPVBQESA-N 1 0 323.156 3.584 10 0 DHAERO CCC1(C(=O)Nc2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000062847656 184256363 /nfs/dbraw/zinc/25/63/63/184256363.db2.gz SJJGUXRIFAVXFD-UHFFFAOYSA-N 1 0 301.217 3.712 10 0 DHAERO C[NH2+][C@H](Cc1ccccc1Br)c1ccc(C)nc1 ZINC000062950421 184261981 /nfs/dbraw/zinc/26/19/81/184261981.db2.gz YJVVVUZPAHKTSY-OAHLLOKOSA-N 1 0 305.219 3.656 10 0 DHAERO COc1ccc([C@H]([NH3+])c2ccc(F)c(C)c2)c(Br)c1 ZINC000063055941 184268883 /nfs/dbraw/zinc/26/88/83/184268883.db2.gz ACVQWLJWQVVXLD-OAHLLOKOSA-N 1 0 324.193 3.953 10 0 DHAERO CO[C@@H]1CC[N@H+](Cc2scnc2C)C[C@H]1Cc1ccccc1 ZINC000248032550 257110127 /nfs/dbraw/zinc/11/01/27/257110127.db2.gz MFPNBUVLKJQQBL-IAGOWNOFSA-N 1 0 316.470 3.531 10 0 DHAERO Cc1nc([C@@H]2C[C@H]3CCN(Cc4ccoc4)C[C@H]3O2)sc1C ZINC000503719038 257208540 /nfs/dbraw/zinc/20/85/40/257208540.db2.gz KRWNDGNDVJNABQ-OWCLPIDISA-N 1 0 318.442 3.705 10 0 DHAERO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)[C@H]1C ZINC000238855815 257260154 /nfs/dbraw/zinc/26/01/54/257260154.db2.gz SUMRNPXVOUVXAY-HLLBOEOZSA-N 1 0 318.461 3.810 10 0 DHAERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194351509 335067662 /nfs/dbraw/zinc/06/76/62/335067662.db2.gz PSHAEJIXVWSWMA-MRXNPFEDSA-N 1 0 314.433 3.506 10 0 DHAERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194351524 335067678 /nfs/dbraw/zinc/06/76/78/335067678.db2.gz PSHAEJIXVWSWMA-INIZCTEOSA-N 1 0 314.433 3.506 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(Br)cc1 ZINC000177359014 332984858 /nfs/dbraw/zinc/98/48/58/332984858.db2.gz KPZQOPABOIJJPW-LNSITVRQSA-N 1 0 312.251 3.651 10 0 DHAERO CCCNC(=O)CC[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000175172964 332877126 /nfs/dbraw/zinc/87/71/26/332877126.db2.gz ZNHFAEDQANATSO-HXUWFJFHSA-N 1 0 310.441 3.590 10 0 DHAERO Cc1ccccc1[C@@H]([NH2+][C@H](C)CN1CCCC1=O)c1ccccc1 ZINC000175172401 332877144 /nfs/dbraw/zinc/87/71/44/332877144.db2.gz KFOGEIGTABFQJL-UTKZUKDTSA-N 1 0 322.452 3.685 10 0 DHAERO C[C@H](O)C[C@H](C)C[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000180601370 331573914 /nfs/dbraw/zinc/57/39/14/331573914.db2.gz PRXPRNXCOUAIRM-HOTGVXAUSA-N 1 0 309.453 3.871 10 0 DHAERO [NH3+]C[C@@H](NC(=O)c1csc2ccccc12)C1CCCCC1 ZINC000127344353 332001436 /nfs/dbraw/zinc/00/14/36/332001436.db2.gz NAPOEUVMQOIYRG-OAHLLOKOSA-N 1 0 302.443 3.539 10 0 DHAERO Cc1c(Cl)cccc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130037707 332022244 /nfs/dbraw/zinc/02/22/44/332022244.db2.gz OTUXUFDNDMOTEX-WBMJQRKESA-N 1 0 302.805 3.923 10 0 DHAERO [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000101525319 332143538 /nfs/dbraw/zinc/14/35/38/332143538.db2.gz ADKBAMYNQIJAOF-PBHICJAKSA-N 1 0 321.251 3.920 10 0 DHAERO Cc1ccccc1[C@H]([NH2+]CCCNC(=O)C(C)C)c1ccccc1 ZINC000181022137 332172850 /nfs/dbraw/zinc/17/28/50/332172850.db2.gz CKRYOOMZVYIYHW-HXUWFJFHSA-N 1 0 324.468 3.836 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)Nc1ccccc1Sc1ccccc1 ZINC000040856009 332207021 /nfs/dbraw/zinc/20/70/21/332207021.db2.gz ZPRSPUKNNZDHQH-CQSZACIVSA-N 1 0 300.427 3.904 10 0 DHAERO CC[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000049529070 332315145 /nfs/dbraw/zinc/31/51/45/332315145.db2.gz GPSRFHNVDLQMKG-WFASDCNBSA-N 1 0 323.483 3.954 10 0 DHAERO [NH3+]C[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1c1ccccc1 ZINC000261613468 332391996 /nfs/dbraw/zinc/39/19/96/332391996.db2.gz CFOMPJHDFOHDDI-WBVHZDCISA-N 1 0 318.823 3.653 10 0 DHAERO Cc1sc2nc(C)nc(NCc3ccc4c(c3)C[NH2+]C4)c2c1C ZINC000261856251 332560320 /nfs/dbraw/zinc/56/03/20/332560320.db2.gz KAWGGSPYZYSGPX-UHFFFAOYSA-N 1 0 324.453 3.832 10 0 DHAERO Cc1ccccc1[C@@H]([NH2+]CCCn1ccnc1)c1ccccc1 ZINC000178009460 333000848 /nfs/dbraw/zinc/00/08/48/333000848.db2.gz JAACGZDEXYYMBT-FQEVSTJZSA-N 1 0 305.425 3.961 10 0 DHAERO COCCC[C@@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000178027160 333001247 /nfs/dbraw/zinc/00/12/47/333001247.db2.gz QGTUSAFKVOVHTI-VXGBXAGGSA-N 1 0 300.240 3.915 10 0 DHAERO Cc1ccsc1[C@H]([NH2+]CCCO)c1ccc(Cl)cc1F ZINC000183664056 333036009 /nfs/dbraw/zinc/03/60/09/333036009.db2.gz CBIWZJJILSRTQT-CQSZACIVSA-N 1 0 313.825 3.910 10 0 DHAERO CC(C)[NH2+]CCN(C)Cc1ccc(Br)cc1Cl ZINC000228264878 333169367 /nfs/dbraw/zinc/16/93/67/333169367.db2.gz LJBKYAGIZIGPMH-UHFFFAOYSA-N 1 0 319.674 3.532 10 0 DHAERO C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccc(Cl)s1 ZINC000185344823 333369496 /nfs/dbraw/zinc/36/94/96/333369496.db2.gz UXDZNFVRWTYARH-LLVKDONJSA-N 1 0 314.882 3.878 10 0 DHAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049129473 334314816 /nfs/dbraw/zinc/31/48/16/334314816.db2.gz BTQWUGSQXLARLI-UWVGGRQHSA-N 1 0 302.871 3.745 10 0 DHAERO Cc1ccccc1[C@H]([NH2+]CCOCC(F)F)c1ccccc1 ZINC000188749846 334873404 /nfs/dbraw/zinc/87/34/04/334873404.db2.gz BHPUAIJUSFLROF-GOSISDBHSA-N 1 0 305.368 3.956 10 0 DHAERO C[C@@H]([NH2+]Cc1ccc(Br)c(Cl)c1)[C@H]1CCCO1 ZINC000189940558 334916714 /nfs/dbraw/zinc/91/67/14/334916714.db2.gz PYFXHQSRUIGQEU-NOZJJQNGSA-N 1 0 318.642 3.760 10 0 DHAERO CO[C@]1(C)C[C@H]([NH2+][C@@H]2CCC(=O)Nc3ccccc32)C1(C)C ZINC000329634625 336020685 /nfs/dbraw/zinc/02/06/85/336020685.db2.gz XQUWZVQPQWXWDI-RVKKMQEKSA-N 1 0 302.418 3.903 10 0 DHAERO C(OC1CCCC1)c1noc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000333461793 336204057 /nfs/dbraw/zinc/20/40/57/336204057.db2.gz PTVRDNMTZKSYEM-OAHLLOKOSA-N 1 0 305.422 3.608 10 0 DHAERO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@@H](C)CC2CCCCC2)C1 ZINC000190146015 336259667 /nfs/dbraw/zinc/25/96/67/336259667.db2.gz ZYUCYUKWJHHRGW-IAOVAPTHSA-N 1 0 321.465 3.746 10 0 DHAERO CCS[C@H]1CC[C@@]1(O)CNc1cc(C)[nH+]c2ccc(F)cc12 ZINC000301653319 336321022 /nfs/dbraw/zinc/32/10/22/336321022.db2.gz HBENOAQATWGWJE-DLBZAZTESA-N 1 0 320.433 3.741 10 0 DHAERO Cc1cccc2c(N3CC[C@H](Oc4ccncc4)C3)cc[nH+]c12 ZINC000301666769 336322040 /nfs/dbraw/zinc/32/20/40/336322040.db2.gz LYLMDHKIHQNBLA-INIZCTEOSA-N 1 0 305.381 3.596 10 0 DHAERO Cc1cccc2c(NC[C@@H](C)CC3(C)OCCO3)cc[nH+]c12 ZINC000301671337 336322431 /nfs/dbraw/zinc/32/24/31/336322431.db2.gz NYYUXOJICFYUAO-ZDUSSCGKSA-N 1 0 300.402 3.744 10 0 DHAERO Cc1cccc2c(N[C@H]3CCN(C(=O)C4CCCC4)C3)cc[nH+]c12 ZINC000301704574 336324543 /nfs/dbraw/zinc/32/45/43/336324543.db2.gz HVOCOVVUOYZLOC-INIZCTEOSA-N 1 0 323.440 3.746 10 0 DHAERO C[C@H]1CN(c2ccnc3cc(C(F)(F)F)ccc32)C[C@H]1[NH+](C)C ZINC000301784871 336329677 /nfs/dbraw/zinc/32/96/77/336329677.db2.gz KRYZUMAQQZSCKQ-MEDUHNTESA-N 1 0 323.362 3.640 10 0 DHAERO O[C@H]1CCCC[C@H]1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000301800507 336330844 /nfs/dbraw/zinc/33/08/44/336330844.db2.gz SAKARFUHRZCGRO-HIFRSBDPSA-N 1 0 310.319 3.969 10 0 DHAERO C[C@H]1C[C@@H](CNc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000301884323 336336165 /nfs/dbraw/zinc/33/61/65/336336165.db2.gz NUKUWUVVKFEEON-RDJZCZTQSA-N 1 0 320.440 3.885 10 0 DHAERO Cc1cccc2c(N3CCN(CC(F)(F)F)[C@@H](C)C3)cc[nH+]c12 ZINC000301896801 336336898 /nfs/dbraw/zinc/33/68/98/336336898.db2.gz UYRVBKMENIQABT-ZDUSSCGKSA-N 1 0 323.362 3.616 10 0 DHAERO CNC(=O)[C@@H]1CCCC[C@@H]1Nc1c(C)c(C)[nH+]c2ccccc21 ZINC000302102352 336348659 /nfs/dbraw/zinc/34/86/59/336348659.db2.gz VQHOODWBVOISGL-WBVHZDCISA-N 1 0 311.429 3.568 10 0 DHAERO [NH3+]CCCN(Cc1ccccc1)C(=O)c1cccc2ccccc21 ZINC000305890679 337040258 /nfs/dbraw/zinc/04/02/58/337040258.db2.gz ZPOVIQNYIXDDKL-UHFFFAOYSA-N 1 0 318.420 3.831 10 0 DHAERO Cc1csc([C@@H]2CCC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)n1 ZINC000170748650 337082982 /nfs/dbraw/zinc/08/29/82/337082982.db2.gz QWGZRLPOOGLXMA-GFCCVEGCSA-N 1 0 324.881 3.526 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2ccccc2c1 ZINC000175017196 337144025 /nfs/dbraw/zinc/14/40/25/337144025.db2.gz ZUWMCUMVBGEKAI-RTBURBONSA-N 1 0 308.425 3.539 10 0 DHAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCCc3ccccc31)CC2 ZINC000174850484 337144992 /nfs/dbraw/zinc/14/49/92/337144992.db2.gz AUCVCGDNKORKFO-WMZOPIPTSA-N 1 0 324.472 3.774 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(-c2cccs2)oc1C ZINC000175340713 337145437 /nfs/dbraw/zinc/14/54/37/337145437.db2.gz NPHWCPWLSWJYLP-AWEZNQCLSA-N 1 0 319.474 3.628 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000177007328 337152798 /nfs/dbraw/zinc/15/27/98/337152798.db2.gz MMBKZFDRLJFGAZ-LBPRGKRZSA-N 1 0 315.244 3.550 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000177018344 337152834 /nfs/dbraw/zinc/15/28/34/337152834.db2.gz HKENATQWYBGPHG-AWEZNQCLSA-N 1 0 315.244 3.550 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177713318 337158712 /nfs/dbraw/zinc/15/87/12/337158712.db2.gz BMZQGYQBRJPTKH-FUHWJXTLSA-N 1 0 313.420 3.909 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)CC2 ZINC000179682451 337171198 /nfs/dbraw/zinc/17/11/98/337171198.db2.gz LXFHXGCWJXLNMT-QWRGUYRKSA-N 1 0 324.881 3.782 10 0 DHAERO CC(C)C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1 ZINC000180597117 337176554 /nfs/dbraw/zinc/17/65/54/337176554.db2.gz OCJNZJKNMJJZOE-HZPDHXFCSA-N 1 0 318.852 3.623 10 0 DHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)[C@H](C)C2 ZINC000182688293 337189546 /nfs/dbraw/zinc/18/95/46/337189546.db2.gz NZCLWDPCLWZZQJ-YSGRDPCXSA-N 1 0 322.452 3.647 10 0 DHAERO C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1cccc(Cl)c1F ZINC000184660833 337199707 /nfs/dbraw/zinc/19/97/07/337199707.db2.gz VNWNFSXODNFWMO-MNOVXSKESA-N 1 0 322.815 3.819 10 0 DHAERO Cc1ccc2[nH+]ccc(N3C[C@@H](c4ccsc4)[C@H](CO)C3)c2c1 ZINC000186146171 337253877 /nfs/dbraw/zinc/25/38/77/337253877.db2.gz MGXLNDCIBGJRCW-RDJZCZTQSA-N 1 0 324.449 3.817 10 0 DHAERO c1ccc2c(c1)OCC[C@H]2[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000186422346 337256075 /nfs/dbraw/zinc/25/60/75/337256075.db2.gz TWMATHAGHBJBIB-GOSISDBHSA-N 1 0 309.409 3.668 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2cccs2)C12CCOCC2 ZINC000186338475 337256617 /nfs/dbraw/zinc/25/66/17/337256617.db2.gz RMEUGQDVJVEQNH-HUUCEWRRSA-N 1 0 323.502 3.590 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(F)c2)C12CCOCC2 ZINC000186382136 337256842 /nfs/dbraw/zinc/25/68/42/337256842.db2.gz RNDOPZVTHFQKLJ-JCGIZDLHSA-N 1 0 321.436 3.759 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC000188705221 337274498 /nfs/dbraw/zinc/27/44/98/337274498.db2.gz YIBPLZUHUBVKEM-SFHVURJKSA-N 1 0 300.446 3.510 10 0 DHAERO FC(F)(F)C(F)(F)COCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000189332873 337278619 /nfs/dbraw/zinc/27/86/19/337278619.db2.gz JDIJKJZOJNMQIX-JTQLQIEISA-N 1 0 313.266 3.631 10 0 DHAERO CCOC(CC(C[NH3+])(c1ccccc1)c1ccccc1)OCC ZINC000584595187 337373989 /nfs/dbraw/zinc/37/39/89/337373989.db2.gz YYJIFBDYSURUAO-UHFFFAOYSA-N 1 0 313.441 3.721 10 0 DHAERO CC(=O)OC1CC[NH+](C2(c3ccccc3)CCCCC2)CC1 ZINC000584636978 337379376 /nfs/dbraw/zinc/37/93/76/337379376.db2.gz PFWBETCTFAUOGZ-UHFFFAOYSA-N 1 0 301.430 3.874 10 0 DHAERO CCc1ccc(NC(=O)Nc2ccc3c(c2)CC[C@H]([NH3+])C3)cc1 ZINC000584648452 337380363 /nfs/dbraw/zinc/38/03/63/337380363.db2.gz HUDMEUKXDNTQGP-INIZCTEOSA-N 1 0 309.413 3.709 10 0 DHAERO CCc1nccn1[C@@H]1CCCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC000109676222 337388508 /nfs/dbraw/zinc/38/85/08/337388508.db2.gz BGKCLWINLQQPMU-HZPDHXFCSA-N 1 0 305.466 3.681 10 0 DHAERO CC[C@@H]([NH2+][C@H](CO)CC(C)C)c1ccc(Br)cc1 ZINC000040774122 337398790 /nfs/dbraw/zinc/39/87/90/337398790.db2.gz UWOFHJJFCBUDIH-LSDHHAIUSA-N 1 0 314.267 3.897 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)CC2 ZINC000130263123 337432510 /nfs/dbraw/zinc/43/25/10/337432510.db2.gz FZLKVYSUILQRAV-WDEREUQCSA-N 1 0 324.881 3.782 10 0 DHAERO Cn1nccc1C1CC[NH+](CCSc2ccccc2F)CC1 ZINC000195502868 337467496 /nfs/dbraw/zinc/46/74/96/337467496.db2.gz JPBGYXLGCBQXBS-UHFFFAOYSA-N 1 0 319.449 3.531 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2F)C12CCOCC2 ZINC000248644519 337566489 /nfs/dbraw/zinc/56/64/89/337566489.db2.gz QFJAPQROWZASPK-FGTMMUONSA-N 1 0 321.436 3.841 10 0 DHAERO CC(C)(C)[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000261668350 337608301 /nfs/dbraw/zinc/60/83/01/337608301.db2.gz FUQQMEHTTTXELY-AXAPSJFSSA-N 1 0 324.415 3.543 10 0 DHAERO [NH3+]C1(c2noc(-c3ccccc3COc3ccccc3)n2)CCC1 ZINC000261683932 337608483 /nfs/dbraw/zinc/60/84/83/337608483.db2.gz HBRYDTPOWBLMHI-UHFFFAOYSA-N 1 0 321.380 3.654 10 0 DHAERO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261879016 337611984 /nfs/dbraw/zinc/61/19/84/337611984.db2.gz SPGHENMWSOZMFA-RDTXWAMCSA-N 1 0 322.880 3.885 10 0 DHAERO Cc1ccccc1[C@H]1C[C@@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261992847 337613794 /nfs/dbraw/zinc/61/37/94/337613794.db2.gz KKUMNNRCXPQSHY-SJORKVTESA-N 1 0 305.381 3.775 10 0 DHAERO CC[C@H](C)c1ccc([C@H](NC(=O)[C@@H](C)C2C[NH2+]C2)C(C)C)cc1 ZINC000262259277 337616146 /nfs/dbraw/zinc/61/61/46/337616146.db2.gz UFDKKPWFDWVFLJ-YZVOILCLSA-N 1 0 316.489 3.869 10 0 DHAERO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000262307617 337616718 /nfs/dbraw/zinc/61/67/18/337616718.db2.gz MTUUZNTWYJVZRF-LJQANCHMSA-N 1 0 322.412 3.686 10 0 DHAERO C[C@H](C(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000262500641 337618700 /nfs/dbraw/zinc/61/87/00/337618700.db2.gz IRZGGASZNPRFBC-LRDDRELGSA-N 1 0 322.880 3.789 10 0 DHAERO Cc1csc(C2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)n1 ZINC000092787460 337908616 /nfs/dbraw/zinc/90/86/16/337908616.db2.gz LAXULKVRXMKQRP-UHFFFAOYSA-N 1 0 318.490 3.852 10 0 DHAERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000149727261 338120178 /nfs/dbraw/zinc/12/01/78/338120178.db2.gz IXGIVWFLCTYYJC-NOZJJQNGSA-N 1 0 318.642 3.760 10 0 DHAERO CC(C)c1nn(C)cc1N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000304070296 340359533 /nfs/dbraw/zinc/35/95/33/340359533.db2.gz DFVINNQZESQMHA-RDJZCZTQSA-N 1 0 312.461 3.618 10 0 DHAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000173828169 340375173 /nfs/dbraw/zinc/37/51/73/340375173.db2.gz SSXVGQPZGKZVGA-ZBFHGGJFSA-N 1 0 321.465 3.555 10 0 DHAERO O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000224867712 340560037 /nfs/dbraw/zinc/56/00/37/340560037.db2.gz NPOHOWHPYAQPIK-APHBMKBZSA-N 1 0 324.262 3.577 10 0 DHAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229687073 340614871 /nfs/dbraw/zinc/61/48/71/340614871.db2.gz UGFNYVCIQJXWDY-XVKPBYJWSA-N 1 0 324.140 3.846 10 0 DHAERO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(I)cc1 ZINC000037259326 340780899 /nfs/dbraw/zinc/78/08/99/340780899.db2.gz AWJINVDIEUODFT-UWVGGRQHSA-N 1 0 315.198 3.740 10 0 DHAERO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@H](O)COC(C)(C)C)c1 ZINC000134872229 341225701 /nfs/dbraw/zinc/22/57/01/341225701.db2.gz ROAUCUPZOZMJNJ-WMZOPIPTSA-N 1 0 305.462 3.616 10 0 DHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135271916 341235079 /nfs/dbraw/zinc/23/50/79/341235079.db2.gz SBQRWHLOMNKFLW-RPCCPQHDSA-N 1 0 307.409 3.833 10 0 DHAERO C[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000136141505 341253710 /nfs/dbraw/zinc/25/37/10/341253710.db2.gz JBVCEXPZXVXILR-BMIGLBTASA-N 1 0 315.244 3.703 10 0 DHAERO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246496573 341350812 /nfs/dbraw/zinc/35/08/12/341350812.db2.gz AZUSCARFTKKDMS-XQQFMLRXSA-N 1 0 323.387 3.728 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCc2c1cccc2Cl ZINC000246520728 341352435 /nfs/dbraw/zinc/35/24/35/341352435.db2.gz CCCFNEPBRXYEGH-KSSFIOAISA-N 1 0 315.848 3.997 10 0 DHAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccccc2s1 ZINC000247080270 341360775 /nfs/dbraw/zinc/36/07/75/341360775.db2.gz ZEXMKTSSQTWFTL-GJZGRUSLSA-N 1 0 314.454 3.600 10 0 DHAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCCCc1cccs1 ZINC000247100806 341360899 /nfs/dbraw/zinc/36/08/99/341360899.db2.gz IKSBYZQIDXBXAV-CVEARBPZSA-N 1 0 320.502 3.546 10 0 DHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1CO ZINC000248140131 341373958 /nfs/dbraw/zinc/37/39/58/341373958.db2.gz PNHBOOMYRFEZGY-UBHSHLNASA-N 1 0 310.507 3.951 10 0 DHAERO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccncc1 ZINC000248411297 341376915 /nfs/dbraw/zinc/37/69/15/341376915.db2.gz IAGIPILRKZJYBB-LLUDDFSJSA-N 1 0 321.468 3.643 10 0 DHAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000248621887 341381967 /nfs/dbraw/zinc/38/19/67/341381967.db2.gz YDAPZMAZSXZKPX-BRWVUGGUSA-N 1 0 308.510 3.685 10 0 DHAERO O[C@@]12CCCC[C@@H]1C[N@H+](CC1CCC(C(F)(F)F)CC1)CC2 ZINC000248705111 341384741 /nfs/dbraw/zinc/38/47/41/341384741.db2.gz HIPYNCORHDOKOG-QDIHITRGSA-N 1 0 319.411 3.982 10 0 DHAERO C[C@@H]1C[C@H]1[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000248863814 341388707 /nfs/dbraw/zinc/38/87/07/341388707.db2.gz SLBUUXCEARJNSG-LYRGGWFBSA-N 1 0 324.262 3.915 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2C)C12CCOCC2 ZINC000249023783 341392174 /nfs/dbraw/zinc/39/21/74/341392174.db2.gz RDRWQDFIMBQLKD-NZSAHSFTSA-N 1 0 317.473 3.928 10 0 DHAERO CCCC(=O)N[C@H]1CCC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000249088060 341393383 /nfs/dbraw/zinc/39/33/83/341393383.db2.gz UDXMXSQTBCLQAS-WMZOPIPTSA-N 1 0 302.462 3.561 10 0 DHAERO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000249175099 341394842 /nfs/dbraw/zinc/39/48/42/341394842.db2.gz DSVGEFWWVXVYQF-HOJAQTOUSA-N 1 0 324.472 3.501 10 0 DHAERO C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc(O)c1 ZINC000249586049 341399597 /nfs/dbraw/zinc/39/95/97/341399597.db2.gz OIBIKONZYWKILK-NJZAAPMLSA-N 1 0 317.351 3.526 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(Br)s2)C1 ZINC000249612075 341399892 /nfs/dbraw/zinc/39/98/92/341399892.db2.gz BXIFCRFKVZHBKK-MNOVXSKESA-N 1 0 317.296 3.646 10 0 DHAERO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000262414105 341522168 /nfs/dbraw/zinc/52/21/68/341522168.db2.gz DKHJTUAUJJOIQD-YOEHRIQHSA-N 1 0 302.462 3.694 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(F)cc1OC(F)F ZINC000153818078 341579589 /nfs/dbraw/zinc/57/95/89/341579589.db2.gz SZHALCASRAJPHX-WDMOLILDSA-N 1 0 317.351 3.629 10 0 DHAERO [NH3+]CCC[C@@H](Nc1cncc(Br)c1)c1ccccc1 ZINC000336815557 341718660 /nfs/dbraw/zinc/71/86/60/341718660.db2.gz HZTBPALQECFDED-OAHLLOKOSA-N 1 0 320.234 3.736 10 0 DHAERO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000155191125 519645655 /nfs/dbraw/zinc/64/56/55/519645655.db2.gz TZVHQPOCGCYKAE-APMMTJHUSA-N 1 0 316.489 3.983 10 0 DHAERO CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)c1cccs1 ZINC000190102593 520593789 /nfs/dbraw/zinc/59/37/89/520593789.db2.gz DPAFRYGUCRRHDP-CQSZACIVSA-N 1 0 311.495 3.573 10 0 DHAERO CCc1csc([C@@H]2CCC[N@H+](Cc3c(C)noc3C)C2)n1 ZINC000157042595 522113741 /nfs/dbraw/zinc/11/37/41/522113741.db2.gz QHWAHHXUQUOOTR-CYBMUJFWSA-N 1 0 305.447 3.690 10 0 DHAERO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246174531 522946857 /nfs/dbraw/zinc/94/68/57/522946857.db2.gz BMUKSABLKXWTSB-MANSERQUSA-N 1 0 314.473 3.689 10 0 DHAERO CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171274 523088639 /nfs/dbraw/zinc/08/86/39/523088639.db2.gz YXGUHGFTAXIDIE-YOEHRIQHSA-N 1 0 318.852 3.795 10 0 DHAERO C[C@@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000157062631 524379492 /nfs/dbraw/zinc/37/94/92/524379492.db2.gz MHYOTTFMVAQKMS-YDHLFZDLSA-N 1 0 308.853 3.543 10 0 DHAERO C[C@@H](CC(=O)N[C@@H](C)c1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000148807297 524380730 /nfs/dbraw/zinc/38/07/30/524380730.db2.gz RQUUJCCNELKROM-IHRRRGAJSA-N 1 0 308.853 3.543 10 0 DHAERO Cc1cc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c2ccccc2n1 ZINC000124500826 524687784 /nfs/dbraw/zinc/68/77/84/524687784.db2.gz HBXWPECCGOLADQ-IBGZPJMESA-N 1 0 306.413 3.614 10 0 DHAERO Cc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2cccc(Cl)c2)n1 ZINC000070456321 525273707 /nfs/dbraw/zinc/27/37/07/525273707.db2.gz OEKMOLXNRYAXQX-CYBMUJFWSA-N 1 0 316.836 3.517 10 0 DHAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(-c2cccs2)cc1 ZINC000180586251 525632795 /nfs/dbraw/zinc/63/27/95/525632795.db2.gz PYRIYOFTOIGQCM-BBRMVZONSA-N 1 0 324.453 3.672 10 0 DHAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(-c2ccccc2)cc1 ZINC000180585667 525634043 /nfs/dbraw/zinc/63/40/43/525634043.db2.gz QGZIDMBLQYSBDD-KXBFYZLASA-N 1 0 318.424 3.611 10 0 DHAERO Cc1c(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)cnn1C ZINC000163305462 525727904 /nfs/dbraw/zinc/72/79/04/525727904.db2.gz AIUDCLKJXOHIFR-QGZVFWFLSA-N 1 0 311.429 3.655 10 0 DHAERO C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000237434489 526045964 /nfs/dbraw/zinc/04/59/64/526045964.db2.gz ZSDHVYGEBKITMT-IVMMDQJWSA-N 1 0 320.864 3.910 10 0 DHAERO C[C@H](CC(=O)N[C@@H](C)c1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000147947707 526243769 /nfs/dbraw/zinc/24/37/69/526243769.db2.gz DSTHPFBHPXDMSP-IPYPFGDCSA-N 1 0 308.853 3.543 10 0 DHAERO C[C@H](CC(=O)N[C@@H](C)c1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000156022493 526243962 /nfs/dbraw/zinc/24/39/62/526243962.db2.gz OAOVCKYZAXUKCK-GRYCIOLGSA-N 1 0 314.882 3.605 10 0 DHAERO Cc1cnn(CC[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)c1 ZINC000178661665 526263692 /nfs/dbraw/zinc/26/36/92/526263692.db2.gz BMWSQFXZEXSQCU-ZIAGYGMSSA-N 1 0 314.458 3.583 10 0 DHAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000188227633 527187331 /nfs/dbraw/zinc/18/73/31/527187331.db2.gz NOKWZBKCDVPZOR-ZIFCJYIRSA-N 1 0 310.445 3.521 10 0 DHAERO CC(C)(C)OC(=O)N[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000113415226 563438915 /nfs/dbraw/zinc/43/89/15/563438915.db2.gz YUKKHANGUKIABG-SNVBAGLBSA-N 1 0 305.205 3.518 10 0 DHAERO CCC[C@@H](C)C[C@@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000068591339 563495090 /nfs/dbraw/zinc/49/50/90/563495090.db2.gz JEWOSVLIBXFXHY-ZBFHGGJFSA-N 1 0 312.498 3.953 10 0 DHAERO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593054 563495866 /nfs/dbraw/zinc/49/58/66/563495866.db2.gz IBDBUXNMQVARBX-VYDXJSESSA-N 1 0 318.461 3.953 10 0 DHAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000724104158 563496590 /nfs/dbraw/zinc/49/65/90/563496590.db2.gz ZBNKOMVMBKYIMY-SJKOYZFVSA-N 1 0 322.474 3.556 10 0 DHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000675053110 563856706 /nfs/dbraw/zinc/85/67/06/563856706.db2.gz FVHBBNIUEMMMEE-SMDDNHRTSA-N 1 0 310.825 3.658 10 0 DHAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000675054414 563861671 /nfs/dbraw/zinc/86/16/71/563861671.db2.gz NKNKBHSPJJOESC-KGLIPLIRSA-N 1 0 310.825 3.658 10 0 DHAERO Cc1ccc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c(C)c1 ZINC000675055227 563870389 /nfs/dbraw/zinc/87/03/89/563870389.db2.gz RHXMNUGTXYMOET-ZBFHGGJFSA-N 1 0 304.434 3.621 10 0 DHAERO CC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000036102384 563893490 /nfs/dbraw/zinc/89/34/90/563893490.db2.gz IPIIKLMRZOCMGC-SFHVURJKSA-N 1 0 317.404 3.607 10 0 DHAERO CC(C)(O)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036115553 563894092 /nfs/dbraw/zinc/89/40/92/563894092.db2.gz YREUQWUPKZKASU-UHFFFAOYSA-N 1 0 305.368 3.738 10 0 DHAERO Cc1ccc([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c(C)c1 ZINC000675055519 563909879 /nfs/dbraw/zinc/90/98/79/563909879.db2.gz UXAZYMRDWDAJKZ-HOCLYGCPSA-N 1 0 304.434 3.703 10 0 DHAERO CCCn1nc(C)c(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1C ZINC000092788489 1032509972 /nfs/dbraw/zinc/50/99/72/1032509972.db2.gz ATSGFPIIVNHWFI-HNNXBMFYSA-N 1 0 318.490 3.746 10 0 DHAERO c1cnn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc3ccccc3n2)c1 ZINC000072744843 1030582633 /nfs/dbraw/zinc/58/26/33/1030582633.db2.gz ANVPPIIPPSHKRC-OALUTQOASA-N 1 0 306.413 3.705 10 0 DHAERO CC(C)C[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000074995421 1030629004 /nfs/dbraw/zinc/62/90/04/1030629004.db2.gz PGXDJJONBVBYFG-UONOGXRCSA-N 1 0 300.406 3.561 10 0 DHAERO C[N@H+](CC(=O)N1CCC[C@@H]1c1cccs1)C1CCCCC1 ZINC000078954035 1031063744 /nfs/dbraw/zinc/06/37/44/1031063744.db2.gz LFPZEYGMKFEYNO-OAHLLOKOSA-N 1 0 306.475 3.676 10 0 DHAERO CC[NH2+]Cc1sc(Cc2ccc(OC)cc2)nc1C(C)C ZINC000082429611 185181189 /nfs/dbraw/zinc/18/11/89/185181189.db2.gz LLDWHAMCPNUVNV-UHFFFAOYSA-N 1 0 304.459 3.975 10 0 DHAERO C[NH2+]Cc1sc(-c2ccc(OC)c(OC)c2)nc1C(C)C ZINC000082431257 185181956 /nfs/dbraw/zinc/18/19/56/185181956.db2.gz GOXXBUJRDJYRGE-UHFFFAOYSA-N 1 0 306.431 3.670 10 0 DHAERO COc1cc([C@@H]([NH3+])CC(C)C)c(OC)cc1Br ZINC000083256143 185221438 /nfs/dbraw/zinc/22/14/38/185221438.db2.gz AVHBNRGWNRUAJQ-NSHDSACASA-N 1 0 302.212 3.512 10 0 DHAERO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cccnc2)n(-c2ccccc2)n1 ZINC000090601692 185306230 /nfs/dbraw/zinc/30/62/30/185306230.db2.gz CEELLYPGPZHSNH-NVXWUHKLSA-N 1 0 320.440 3.858 10 0 DHAERO CCCOc1cccc(C[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000092810492 185342907 /nfs/dbraw/zinc/34/29/07/185342907.db2.gz ZYHRKHGRRVXKTB-UHFFFAOYSA-N 1 0 313.445 3.589 10 0 DHAERO C[C@@H]([NH3+])Cc1cccc(OCc2ccc(Br)cc2)c1 ZINC000037726435 190665305 /nfs/dbraw/zinc/66/53/05/190665305.db2.gz IHBYZTVCFYQADM-GFCCVEGCSA-N 1 0 320.230 3.918 10 0 DHAERO C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000235305561 201912993 /nfs/dbraw/zinc/91/29/93/201912993.db2.gz GTUJKHZFMYBTKA-MWLCHTKSSA-N 1 0 316.232 3.585 10 0 DHAERO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(C)o1)CC(C)C ZINC000071923415 191032406 /nfs/dbraw/zinc/03/24/06/191032406.db2.gz IPXGOGAPKLZDGX-JKSUJKDBSA-N 1 0 323.481 3.705 10 0 DHAERO CC(C)C[C@H](C[NH+]1CCCC1)N(C)C(=O)OCc1ccccc1 ZINC000002580998 180936893 /nfs/dbraw/zinc/93/68/93/180936893.db2.gz QKKDLYIXBVOROA-GOSISDBHSA-N 1 0 318.461 3.766 10 0 DHAERO Cc1ccccc1[C@H](C)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073414784 191314105 /nfs/dbraw/zinc/31/41/05/191314105.db2.gz GEHYPVFSJWTDQV-IRXDYDNUSA-N 1 0 317.477 3.572 10 0 DHAERO CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccco3)nc21 ZINC000005285368 181226202 /nfs/dbraw/zinc/22/62/02/181226202.db2.gz QQPKLUACCYSYLA-UHFFFAOYSA-N 1 0 322.412 3.891 10 0 DHAERO CCC[C@H]1[C@H](CC(=O)NC(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000005469967 181247449 /nfs/dbraw/zinc/24/74/49/181247449.db2.gz FDZLZLAFLPFOSA-ROUUACIJSA-N 1 0 302.462 3.592 10 0 DHAERO CCC(CC)(CNC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000236869381 202044987 /nfs/dbraw/zinc/04/49/87/202044987.db2.gz GDXNJQHEWSFJHA-BBRMVZONSA-N 1 0 322.880 3.641 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000236939492 202082117 /nfs/dbraw/zinc/08/21/17/202082117.db2.gz OBFLDGQSZILDKY-VIFPVBQESA-N 1 0 322.808 3.763 10 0 DHAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc2[nH]ccc2c1 ZINC000186844718 200020951 /nfs/dbraw/zinc/02/09/51/200020951.db2.gz PNTVXWCYZQHCPT-AWEZNQCLSA-N 1 0 314.433 3.554 10 0 DHAERO COc1cccc(C(=O)O[C@H](C)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000006416619 181338879 /nfs/dbraw/zinc/33/88/79/181338879.db2.gz FZUAYJQPOVHLAH-SOUVJXGZSA-N 1 0 305.418 3.503 10 0 DHAERO COc1cc(CC[NH3+])ccc1OCc1c(F)cccc1Cl ZINC000011993058 181722682 /nfs/dbraw/zinc/72/26/82/181722682.db2.gz YXOSKTZKOZMNCG-UHFFFAOYSA-N 1 0 309.768 3.568 10 0 DHAERO CC(C)[C@H]([C@H](c1ccccc1)c1ccccn1)[NH+]1CCOCC1 ZINC000015784041 182017144 /nfs/dbraw/zinc/01/71/44/182017144.db2.gz XBSWXNXFFUYYAO-WOJBJXKFSA-N 1 0 310.441 3.570 10 0 DHAERO CN(Cc1ccccc1)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000019263771 182111743 /nfs/dbraw/zinc/11/17/43/182111743.db2.gz CJSSOVJOTCSHKM-INIZCTEOSA-N 1 0 319.246 3.581 10 0 DHAERO CN(c1ccccc1)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000019266150 182111852 /nfs/dbraw/zinc/11/18/52/182111852.db2.gz UOEXHOIRPSJCGG-LLVKDONJSA-N 1 0 311.248 3.647 10 0 DHAERO COc1ccc([C@H]([NH3+])c2ccc(Br)cc2)cc1OC ZINC000019420856 182122724 /nfs/dbraw/zinc/12/27/24/182122724.db2.gz SQDNYMOREHZELK-OAHLLOKOSA-N 1 0 322.202 3.514 10 0 DHAERO CCOc1ccccc1[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000019510941 182126803 /nfs/dbraw/zinc/12/68/03/182126803.db2.gz ZJDVPUNTNVRUNW-HNNXBMFYSA-N 1 0 306.203 3.896 10 0 DHAERO CCN(c1ccccc1C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000019478156 182124468 /nfs/dbraw/zinc/12/44/68/182124468.db2.gz BYSKQVVYNJCGAE-ZDUSSCGKSA-N 1 0 323.234 3.877 10 0 DHAERO [NH3+][C@H](c1ccc(Br)cc1)c1ccc2c(c1)CCC2 ZINC000019474808 182124545 /nfs/dbraw/zinc/12/45/45/182124545.db2.gz ZWSMBXXMQMMLTB-MRXNPFEDSA-N 1 0 302.215 3.986 10 0 DHAERO CC(C)(C)c1ccc(-c2csc(N3CC[NH2+]CC3)n2)cc1 ZINC000019728693 182139678 /nfs/dbraw/zinc/13/96/78/182139678.db2.gz ZYFPZTGPBLLNRM-UHFFFAOYSA-N 1 0 301.459 3.517 10 0 DHAERO [NH3+]C[C@@H](Oc1cccc(Br)c1)c1ccccc1F ZINC000019671683 182134927 /nfs/dbraw/zinc/13/49/27/182134927.db2.gz OLDJJPNEDFFBQY-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO C[NH2+]Cc1ccc(OCCc2ccccc2)c(Br)c1 ZINC000019777476 182147560 /nfs/dbraw/zinc/14/75/60/182147560.db2.gz FWAYUAHANVFNOY-UHFFFAOYSA-N 1 0 320.230 3.790 10 0 DHAERO COC[C@H](C)[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000019904943 182162192 /nfs/dbraw/zinc/16/21/92/182162192.db2.gz NEJCTSBATDBDED-VHSXEESVSA-N 1 0 312.207 3.881 10 0 DHAERO CC(C)[NH+]1CCC(Nc2ccc(Br)cc2F)CC1 ZINC000019907956 182162965 /nfs/dbraw/zinc/16/29/65/182162965.db2.gz PLHSMGOPJDEHRU-UHFFFAOYSA-N 1 0 315.230 3.873 10 0 DHAERO COc1ccc(OC)c([C@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000019967565 182171435 /nfs/dbraw/zinc/17/14/35/182171435.db2.gz MKVJMMJOECWAMR-OAHLLOKOSA-N 1 0 322.202 3.514 10 0 DHAERO [NH3+][C@H](Cc1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC000019968399 182171475 /nfs/dbraw/zinc/17/14/75/182171475.db2.gz IVQMLYLRMABKHT-CQSZACIVSA-N 1 0 312.157 3.970 10 0 DHAERO COc1ccc([C@H]([NH3+])c2cccc(Br)c2)c(OC)c1 ZINC000019967777 182171617 /nfs/dbraw/zinc/17/16/17/182171617.db2.gz OGLFVFUHHTUMTN-OAHLLOKOSA-N 1 0 322.202 3.514 10 0 DHAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2ccc(Cl)cc2Cl)C1 ZINC000019991350 182174545 /nfs/dbraw/zinc/17/45/45/182174545.db2.gz UKSQTLKFPMAVKV-HFAKWTLXSA-N 1 0 301.261 3.971 10 0 DHAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccccc2C(F)(F)F)C1 ZINC000020081919 182185530 /nfs/dbraw/zinc/18/55/30/182185530.db2.gz YAJXPLKAAMSQFW-ZOWXZIJZSA-N 1 0 300.368 3.683 10 0 DHAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505428 182225531 /nfs/dbraw/zinc/22/55/31/182225531.db2.gz JPRFWAVNJOPAEU-SNVBAGLBSA-N 1 0 309.624 3.959 10 0 DHAERO Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)c3cccs3)c(C)n2n1 ZINC000020549300 182230256 /nfs/dbraw/zinc/23/02/56/182230256.db2.gz MUWPZDVECLIPHX-RYUDHWBXSA-N 1 0 300.431 3.819 10 0 DHAERO COc1c(Cl)cc(C[NH2+]CCCOC(C)C)cc1Cl ZINC000020928625 182254133 /nfs/dbraw/zinc/25/41/33/182254133.db2.gz IFFJARXZHOEDKR-UHFFFAOYSA-N 1 0 306.233 3.907 10 0 DHAERO CCCOc1ccc(Cl)cc1C[NH2+]CCCn1ccnc1 ZINC000020929019 182254618 /nfs/dbraw/zinc/25/46/18/182254618.db2.gz SCIBEBZSQAWLDS-UHFFFAOYSA-N 1 0 307.825 3.505 10 0 DHAERO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C(C)(C)CO ZINC000020930041 182254671 /nfs/dbraw/zinc/25/46/71/182254671.db2.gz XNPDKNQDQZRENM-UHFFFAOYSA-N 1 0 306.233 3.643 10 0 DHAERO CCCOc1ccc(C[NH2+]CCCn2ccnc2)cc1Cl ZINC000020925690 182254674 /nfs/dbraw/zinc/25/46/74/182254674.db2.gz AWGBOSMTBZPALG-UHFFFAOYSA-N 1 0 307.825 3.505 10 0 DHAERO Clc1ccc([C@@H](c2ccccc2)N2CCC[NH2+]CC2)cc1 ZINC000022027833 182304621 /nfs/dbraw/zinc/30/46/21/182304621.db2.gz RMTYMEIZBKIWGP-GOSISDBHSA-N 1 0 300.833 3.725 10 0 DHAERO [NH3+]CCc1cc(Br)ccc1OCc1ccccc1F ZINC000037720797 182920179 /nfs/dbraw/zinc/92/01/79/182920179.db2.gz DGTKSYUKCKNLGG-UHFFFAOYSA-N 1 0 324.193 3.668 10 0 DHAERO CC[NH2+][C@@H](Cc1ccc(Br)cc1)c1cccnc1 ZINC000037992655 182956759 /nfs/dbraw/zinc/95/67/59/182956759.db2.gz FQZPZBPMRAESHL-HNNXBMFYSA-N 1 0 305.219 3.737 10 0 DHAERO CC[NH+](CC)CCCn1c(COC)nc2ccc(Cl)cc21 ZINC000040403885 183061386 /nfs/dbraw/zinc/06/13/86/183061386.db2.gz PUUHLLBLHKXDGX-UHFFFAOYSA-N 1 0 309.841 3.568 10 0 DHAERO C[NH+](C)CCCn1c2cc(Cl)ccc2nc1-c1ccco1 ZINC000040404354 183062064 /nfs/dbraw/zinc/06/20/64/183062064.db2.gz GWIOADUUFBNIMG-UHFFFAOYSA-N 1 0 303.793 3.901 10 0 DHAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1cccc(Cl)c1 ZINC000040687596 183117805 /nfs/dbraw/zinc/11/78/05/183117805.db2.gz INFVHNRIJISXSS-UHFFFAOYSA-N 1 0 312.764 3.594 10 0 DHAERO CCc1ccccc1Nc1ncnc(Nc2cc[nH+]cc2)c1N ZINC000040687483 183117871 /nfs/dbraw/zinc/11/78/71/183117871.db2.gz GJTFBGNCHMAUMO-UHFFFAOYSA-N 1 0 306.373 3.503 10 0 DHAERO CCCC[N@H+](C)CC[C@@H](O)c1ccc(Br)cc1 ZINC000041145263 183176249 /nfs/dbraw/zinc/17/62/49/183176249.db2.gz ILRDMZMBKRUZFC-CQSZACIVSA-N 1 0 300.240 3.605 10 0 DHAERO CC[C@@H](C)[N@H+](CCOC)Cc1ccc(F)c(Br)c1 ZINC000042255909 183247243 /nfs/dbraw/zinc/24/72/43/183247243.db2.gz RJWYRYHFVHZZKY-LLVKDONJSA-N 1 0 318.230 3.835 10 0 DHAERO CC(C)C[N@H+](C(C)C)[C@@H](CN)c1ccc(Br)cc1 ZINC000042579200 183287189 /nfs/dbraw/zinc/28/71/89/183287189.db2.gz FEIXWNXOQJMKSD-HNNXBMFYSA-N 1 0 313.283 3.815 10 0 DHAERO C[C@@H](CN1CCCC1)[NH2+][C@@H](C)c1sccc1Br ZINC000042598347 183289469 /nfs/dbraw/zinc/28/94/69/183289469.db2.gz PWFUXCCVSTWRFQ-QWRGUYRKSA-N 1 0 317.296 3.646 10 0 DHAERO CCC[NH+](CCC)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952084 183321068 /nfs/dbraw/zinc/32/10/68/183321068.db2.gz ZYZOVBFLMSKELB-IUODEOHRSA-N 1 0 313.283 3.959 10 0 DHAERO C[C@H]([NH3+])[C@@H](OCc1ccco1)c1ccc(Br)cc1 ZINC000042956360 183322798 /nfs/dbraw/zinc/32/27/98/183322798.db2.gz SPXOTBHABDEYJJ-IINYFYTJSA-N 1 0 310.191 3.647 10 0 DHAERO COc1ccc(O[C@H](C[NH3+])c2ccc(Br)cc2)cc1 ZINC000042956983 183322817 /nfs/dbraw/zinc/32/28/17/183322817.db2.gz IZESWUVFQNUEGF-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO COc1ccc(O[C@@H](C[NH3+])c2ccc(Br)cc2)cc1 ZINC000042956981 183323141 /nfs/dbraw/zinc/32/31/41/183323141.db2.gz IZESWUVFQNUEGF-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)Cc1ccco1 ZINC000043020514 183329094 /nfs/dbraw/zinc/32/90/94/183329094.db2.gz RXWBBZUXECHAHB-IAQYHMDHSA-N 1 0 323.234 3.562 10 0 DHAERO CC(C)CCN(C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021230 183329553 /nfs/dbraw/zinc/32/95/53/183329553.db2.gz DFEZPEUWZVCDOX-DOMZBBRYSA-N 1 0 313.283 3.815 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)n1nc(C)cc1C ZINC000043022084 183329771 /nfs/dbraw/zinc/32/97/71/183329771.db2.gz LXDQPKBILFMVOO-GJZGRUSLSA-N 1 0 322.250 3.589 10 0 DHAERO [NH3+]C[C@@H](OCc1ccccc1)c1cccc(Br)c1 ZINC000043022318 183330108 /nfs/dbraw/zinc/33/01/08/183330108.db2.gz OUOAZGZSUVEHFG-OAHLLOKOSA-N 1 0 306.203 3.666 10 0 DHAERO COc1cccc(O[C@H](C[NH3+])c2cccc(Br)c2)c1 ZINC000043022489 183330591 /nfs/dbraw/zinc/33/05/91/183330591.db2.gz PVGAPVBZFNEERS-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO CC[C@@H]([NH3+])[C@H](SCCOC)c1cccc(Br)c1 ZINC000043024908 183331575 /nfs/dbraw/zinc/33/15/75/183331575.db2.gz MAYLNMZUULWVAZ-CHWSQXEVSA-N 1 0 318.280 3.607 10 0 DHAERO CCc1nccn1[C@H](c1ccccc1Br)[C@@H]([NH3+])CC ZINC000043093921 183336670 /nfs/dbraw/zinc/33/66/70/183336670.db2.gz FYLRLYZGQGXLEU-DZGCQCFKSA-N 1 0 322.250 3.535 10 0 DHAERO [NH3+]C[C@H](Oc1ccc(F)cc1)c1ccccc1Br ZINC000043094323 183336709 /nfs/dbraw/zinc/33/67/09/183336709.db2.gz RDMMECIIMRDOLZ-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO Cc1nn([C@@H](c2ccccc2Br)[C@@H](C)[NH3+])c(C)c1C ZINC000043093848 183336820 /nfs/dbraw/zinc/33/68/20/183336820.db2.gz CZSXKVJEIPQLAT-MEBBXXQBSA-N 1 0 322.250 3.507 10 0 DHAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1Br)c1cccs1 ZINC000043110040 183338288 /nfs/dbraw/zinc/33/82/88/183338288.db2.gz PGMJPTXURLSULJ-RNCFNFMXSA-N 1 0 312.232 3.978 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N1CCC(C)CC1 ZINC000043090298 183335232 /nfs/dbraw/zinc/33/52/32/183335232.db2.gz CGGWJXOILXTNRI-DOMZBBRYSA-N 1 0 311.267 3.569 10 0 DHAERO CCCN([C@@H](c1ccccc1Br)[C@@H](C)[NH3+])C1CC1 ZINC000043091303 183335509 /nfs/dbraw/zinc/33/55/09/183335509.db2.gz KHOQIQXASQXPTN-IAQYHMDHSA-N 1 0 311.267 3.712 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)N1CCC[C@@H]1C ZINC000043092386 183335562 /nfs/dbraw/zinc/33/55/62/183335562.db2.gz NRZYKGLNUZTZFA-NILFDRSVSA-N 1 0 311.267 3.712 10 0 DHAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N1CCC(C)CC1 ZINC000043090301 183335580 /nfs/dbraw/zinc/33/55/80/183335580.db2.gz CGGWJXOILXTNRI-SWLSCSKDSA-N 1 0 311.267 3.569 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)Cc1ccco1 ZINC000043091529 183336026 /nfs/dbraw/zinc/33/60/26/183336026.db2.gz CSAJHIJNKXJGQA-NHYWBVRUSA-N 1 0 323.234 3.562 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)CC1CC1 ZINC000043092422 183336142 /nfs/dbraw/zinc/33/61/42/183336142.db2.gz VHXOUCZLRBVCDU-GJZGRUSLSA-N 1 0 311.267 3.569 10 0 DHAERO C[C@@H]([NH3+])[C@H](OCc1ccco1)c1ccccc1Br ZINC000043094009 183336527 /nfs/dbraw/zinc/33/65/27/183336527.db2.gz IOKAYKJTYNTVEL-YGRLFVJLSA-N 1 0 310.191 3.647 10 0 DHAERO c1cnn(CCCCC[N@@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000104681056 194026903 /nfs/dbraw/zinc/02/69/03/194026903.db2.gz MTQUXMBHDMPPSD-OAHLLOKOSA-N 1 0 304.463 3.737 10 0 DHAERO Cc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104974784 194060553 /nfs/dbraw/zinc/06/05/53/194060553.db2.gz QKYRPCAVQWHLKN-MRXNPFEDSA-N 1 0 315.461 3.820 10 0 DHAERO CSc1ccc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106427599 194211920 /nfs/dbraw/zinc/21/19/20/194211920.db2.gz XGLQSJMBAWMHOT-KRWDZBQOSA-N 1 0 314.454 3.520 10 0 DHAERO CC[NH2+][C@H](C)[C@@H](C)CCOc1cccc(Br)c1 ZINC000049596938 183745581 /nfs/dbraw/zinc/74/55/81/183745581.db2.gz YWNUYKWSRFAVPH-NWDGAFQWSA-N 1 0 300.240 3.852 10 0 DHAERO C[NH2+][C@@H]1CCCC[C@@H]1CCOc1ccc(Br)cc1 ZINC000049597131 183745955 /nfs/dbraw/zinc/74/59/55/183745955.db2.gz BGPPRXGXRKIYNT-IUODEOHRSA-N 1 0 312.251 3.996 10 0 DHAERO CC(C)CO[C@@H](C[NH2+]C1CC1)c1cccc(Br)c1 ZINC000050492087 183788045 /nfs/dbraw/zinc/78/80/45/183788045.db2.gz TUICBEOMEKQINC-HNNXBMFYSA-N 1 0 312.251 3.915 10 0 DHAERO CC[C@H](C[NH2+]CC(C)C)Oc1ccccc1Br ZINC000052647258 183867577 /nfs/dbraw/zinc/86/75/77/183867577.db2.gz RSEPCNFURDLFDD-GFCCVEGCSA-N 1 0 300.240 3.852 10 0 DHAERO CCC[NH2+]CCC[C@@H](C)Oc1ccc(Br)cc1 ZINC000052664278 183867797 /nfs/dbraw/zinc/86/77/97/183867797.db2.gz WTBANYGLLDAJFD-GFCCVEGCSA-N 1 0 300.240 3.996 10 0 DHAERO CC[NH2+]C[C@H](CC)Cc1cc(Br)ccc1OC ZINC000052973311 183882308 /nfs/dbraw/zinc/88/23/08/183882308.db2.gz JPRFRUDGKHAQOG-LLVKDONJSA-N 1 0 300.240 3.636 10 0 DHAERO [NH3+][C@@H](COc1ccccc1)Cc1cc(F)ccc1Br ZINC000054437071 183940265 /nfs/dbraw/zinc/94/02/65/183940265.db2.gz DLEIOCCLIKILNI-CYBMUJFWSA-N 1 0 324.193 3.537 10 0 DHAERO CCC(CC)(C[NH3+])Cc1cc(Br)ccc1OC ZINC000054636611 183946748 /nfs/dbraw/zinc/94/67/48/183946748.db2.gz VDFWGGGEVUXYIB-UHFFFAOYSA-N 1 0 300.240 3.765 10 0 DHAERO [NH3+]C[C@@H](Nc1ccccc1F)c1ccc(Br)cc1 ZINC000057653639 184044035 /nfs/dbraw/zinc/04/40/35/184044035.db2.gz IMLHXUFLNYJHHI-CQSZACIVSA-N 1 0 309.182 3.700 10 0 DHAERO O[C@H](c1ccc(Br)c2ccccc21)C1CC[NH2+]CC1 ZINC000059712328 184139962 /nfs/dbraw/zinc/13/99/62/184139962.db2.gz NEHASEBRBAEKRY-INIZCTEOSA-N 1 0 320.230 3.635 10 0 DHAERO CCC[NH2+][C@@H](CCCOC)c1ccccc1Br ZINC000060700173 184154470 /nfs/dbraw/zinc/15/44/70/184154470.db2.gz KJXXKIKTXDWOJQ-AWEZNQCLSA-N 1 0 300.240 3.916 10 0 DHAERO CCC[NH2+][C@H](c1ccc(Br)s1)C1CCOCC1 ZINC000061672184 184181895 /nfs/dbraw/zinc/18/18/95/184181895.db2.gz AGBKUUAWKMCOFE-ZDUSSCGKSA-N 1 0 318.280 3.978 10 0 DHAERO Fc1ccc([C@@H]2C[NH2+]C3(CCCC3)CO2)cc1Br ZINC000061689692 184182954 /nfs/dbraw/zinc/18/29/54/184182954.db2.gz MQKJENHVOLHHMR-ZDUSSCGKSA-N 1 0 314.198 3.562 10 0 DHAERO CCOC(=O)C[C@@H](C)C[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000061830351 184189014 /nfs/dbraw/zinc/18/90/14/184189014.db2.gz DOSPCWDYBRYVGO-ZANVPECISA-N 1 0 304.217 3.973 10 0 DHAERO CC[C@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCC[NH2+]C1 ZINC000062852236 184256726 /nfs/dbraw/zinc/25/67/26/184256726.db2.gz NQEMSOIELXQDPM-AWEZNQCLSA-N 1 0 301.217 3.712 10 0 DHAERO Cc1cc(Br)ccc1O[C@@H](C[NH3+])c1cccc(F)c1 ZINC000063061679 184268478 /nfs/dbraw/zinc/26/84/78/184268478.db2.gz VXNOWTJONUBGRM-HNNXBMFYSA-N 1 0 324.193 3.975 10 0 DHAERO C[C@@H]1CC(C[NH2+]Cc2cc(Br)cs2)C[C@@H](C)O1 ZINC000282306190 130912846 /nfs/dbraw/zinc/91/28/46/130912846.db2.gz SERKBEVFUBXTKM-NXEZZACHSA-N 1 0 318.280 3.804 10 0 DHAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000085363445 331739372 /nfs/dbraw/zinc/73/93/72/331739372.db2.gz MRUIYNBNBIWKKM-CVEARBPZSA-N 1 0 304.459 3.787 10 0 DHAERO C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1Cl ZINC000040853849 332207133 /nfs/dbraw/zinc/20/71/33/332207133.db2.gz BCQPPHJJNQKVKZ-BLLLJJGKSA-N 1 0 302.805 3.607 10 0 DHAERO C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000261625333 332434159 /nfs/dbraw/zinc/43/41/59/332434159.db2.gz BICAWYJQWWYZJU-ZBFHGGJFSA-N 1 0 315.461 3.758 10 0 DHAERO COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000182118606 333149849 /nfs/dbraw/zinc/14/98/49/333149849.db2.gz BQUHUSVFCNCNAP-LBPRGKRZSA-N 1 0 319.351 3.911 10 0 DHAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc4nc(C)ccc4c3)C2)c1 ZINC000187239305 333229496 /nfs/dbraw/zinc/22/94/96/333229496.db2.gz CINZIRAMIMBHEW-IBGZPJMESA-N 1 0 320.440 3.885 10 0 DHAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1F ZINC000390511570 333288058 /nfs/dbraw/zinc/28/80/58/333288058.db2.gz ASMIUMUMZPBERY-HOTGVXAUSA-N 1 0 301.405 3.952 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccccc2Br)C1 ZINC000040502201 333353386 /nfs/dbraw/zinc/35/33/86/333353386.db2.gz NAEZHNYFWGEDGE-STQMWFEESA-N 1 0 311.267 3.584 10 0 DHAERO [NH3+]CC1(CC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 ZINC000185346000 333369459 /nfs/dbraw/zinc/36/94/59/333369459.db2.gz IURKUXVHEWMSNX-QWHCGFSZSA-N 1 0 320.399 3.523 10 0 DHAERO Cc1ccc(Oc2ccccc2NC(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000261938669 333398129 /nfs/dbraw/zinc/39/81/29/333398129.db2.gz UJJZKDLQXCSGEJ-AWEZNQCLSA-N 1 0 310.397 3.581 10 0 DHAERO C[C@H]([NH2+]CCOc1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000047943953 333421568 /nfs/dbraw/zinc/42/15/68/333421568.db2.gz QLYPIWBOFNZEMO-GXFFZTMASA-N 1 0 304.217 3.529 10 0 DHAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049129467 334314996 /nfs/dbraw/zinc/31/49/96/334314996.db2.gz SUKBNVFPBHOCDX-DCAQKATOSA-N 1 0 302.871 3.745 10 0 DHAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1Oc1cccnc1 ZINC000113270734 335301163 /nfs/dbraw/zinc/30/11/63/335301163.db2.gz DKMZVECYUWJWPV-SJLPKXTDSA-N 1 0 323.440 3.542 10 0 DHAERO C[NH+](C)C[C@H](NC(=O)CCC1CCCCC1)c1ccccc1 ZINC000096965397 335834100 /nfs/dbraw/zinc/83/41/00/335834100.db2.gz VNVFDBPBOQBOHX-SFHVURJKSA-N 1 0 302.462 3.766 10 0 DHAERO CCc1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2cccs2)cc1 ZINC000102686546 335929975 /nfs/dbraw/zinc/92/99/75/335929975.db2.gz NHJYKRSVNZXVAC-UONOGXRCSA-N 1 0 316.470 3.839 10 0 DHAERO C[C@H](NC(=O)[C@H]1CCC[NH2+][C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000395255616 336077931 /nfs/dbraw/zinc/07/79/31/336077931.db2.gz YCVSRLHGVAVQAV-UMNHJUIQSA-N 1 0 315.244 3.559 10 0 DHAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000395255604 336078109 /nfs/dbraw/zinc/07/81/09/336078109.db2.gz YCVSRLHGVAVQAV-HOSYDEDBSA-N 1 0 315.244 3.559 10 0 DHAERO C[C@H]1CCN(C(=O)Nc2cccc(C3CCC3)c2)[C@@H](C[NH3+])C1 ZINC000333099148 336198004 /nfs/dbraw/zinc/19/80/04/336198004.db2.gz ANZZIGQVBFWNNS-SUMWQHHRSA-N 1 0 301.434 3.545 10 0 DHAERO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1Cl ZINC000042267444 336238309 /nfs/dbraw/zinc/23/83/09/336238309.db2.gz CTFRMULCJHGANO-CYBMUJFWSA-N 1 0 302.805 3.938 10 0 DHAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1CCSCc1ccccc1 ZINC000192673977 336258512 /nfs/dbraw/zinc/25/85/12/336258512.db2.gz METQSQZFGGETMQ-QGZVFWFLSA-N 1 0 301.459 3.870 10 0 DHAERO CCC[N@@H+]1CCCN(c2cc3ccccc3c(Cl)n2)CC1 ZINC000301393588 336304145 /nfs/dbraw/zinc/30/41/45/336304145.db2.gz JMZYRJQRWRVUIQ-UHFFFAOYSA-N 1 0 303.837 3.810 10 0 DHAERO Cc1cccc2c(NC[C@@H](O)c3c(F)cccc3F)cc[nH+]c12 ZINC000301692664 336323717 /nfs/dbraw/zinc/32/37/17/336323717.db2.gz XFDFVADBOZYVSY-MRXNPFEDSA-N 1 0 314.335 3.967 10 0 DHAERO O[C@H]1CCC[C@@H]1CNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000301798325 336330749 /nfs/dbraw/zinc/33/07/49/336330749.db2.gz RBAFNVRMRGFSSZ-BMIGLBTASA-N 1 0 310.319 3.827 10 0 DHAERO CC[N@@H+]1CCc2c(cccc2Nc2ccc(C(F)(F)F)nn2)C1 ZINC000301968021 336340464 /nfs/dbraw/zinc/34/04/64/336340464.db2.gz PDGYHXFDCGCGDP-UHFFFAOYSA-N 1 0 322.334 3.617 10 0 DHAERO Clc1ccc2c(c1)CC[C@@H]2Nc1cc(N2CCCC2)ncn1 ZINC000302880115 336373010 /nfs/dbraw/zinc/37/30/10/336373010.db2.gz HHMWIORHQGYSNG-HNNXBMFYSA-N 1 0 314.820 3.830 10 0 DHAERO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1C[C@@H]1C ZINC000105437787 336387546 /nfs/dbraw/zinc/38/75/46/336387546.db2.gz RIRVTVQNYBNAKC-APPDUMDISA-N 1 0 303.837 3.700 10 0 DHAERO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2C)sc1C ZINC000119223949 336883183 /nfs/dbraw/zinc/88/31/83/336883183.db2.gz ZXFRUFPNHMSUKI-OLZOCXBDSA-N 1 0 317.458 3.746 10 0 DHAERO CC1(C)Cc2cc(C[NH+]3CCC(c4cc[nH]n4)CC3)ccc2O1 ZINC000122628311 337016904 /nfs/dbraw/zinc/01/69/04/337016904.db2.gz BUNUZISAKBVRFK-UHFFFAOYSA-N 1 0 311.429 3.503 10 0 DHAERO C[C@@H](CC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000193893494 337079897 /nfs/dbraw/zinc/07/98/97/337079897.db2.gz GJHUOVQFGLDINY-PKOBYXMFSA-N 1 0 324.472 3.571 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000171521406 337087766 /nfs/dbraw/zinc/08/77/66/337087766.db2.gz QIHVOHVFNOSAAK-MRXNPFEDSA-N 1 0 303.837 3.936 10 0 DHAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccn(C(C)C)n2)C12CCCC2 ZINC000172670157 337129370 /nfs/dbraw/zinc/12/93/70/337129370.db2.gz PSRAURWHLXTGIS-IAGOWNOFSA-N 1 0 305.466 3.634 10 0 DHAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1cccc(Cl)c1)CC2 ZINC000173397347 337135142 /nfs/dbraw/zinc/13/51/42/337135142.db2.gz UONZMYDFQWOZPY-LSDHHAIUSA-N 1 0 318.852 3.550 10 0 DHAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2ccccc21 ZINC000175003509 337143978 /nfs/dbraw/zinc/14/39/78/337143978.db2.gz AAWQWBACTULOCU-DLBZAZTESA-N 1 0 308.425 3.539 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(Cl)c1Cl ZINC000177005677 337152858 /nfs/dbraw/zinc/15/28/58/337152858.db2.gz AGNDDCCZDOKIEP-NSHDSACASA-N 1 0 315.244 3.550 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000177357050 337155607 /nfs/dbraw/zinc/15/56/07/337155607.db2.gz UAYKMUIQHLMLKF-DZGCQCFKSA-N 1 0 323.506 3.552 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1cccs1 ZINC000180498229 337175869 /nfs/dbraw/zinc/17/58/69/337175869.db2.gz NYRPAUYNFUNJFA-OLZOCXBDSA-N 1 0 304.463 3.519 10 0 DHAERO CC(C)C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1 ZINC000180597158 337176516 /nfs/dbraw/zinc/17/65/16/337176516.db2.gz OCJNZJKNMJJZOE-JKSUJKDBSA-N 1 0 318.852 3.623 10 0 DHAERO CC[C@@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1ccc(C)cc1 ZINC000180648131 337176957 /nfs/dbraw/zinc/17/69/57/337176957.db2.gz NMAOEGKTPNHTTJ-DLBZAZTESA-N 1 0 312.461 3.766 10 0 DHAERO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000181937039 337185363 /nfs/dbraw/zinc/18/53/63/337185363.db2.gz NZBOCKMUNKRYTF-ZIAGYGMSSA-N 1 0 324.428 3.561 10 0 DHAERO C[C@H]([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)[C@H]1CCCO1 ZINC000183104074 337189998 /nfs/dbraw/zinc/18/99/98/337189998.db2.gz OLUKRYOVBMVFQO-SMDDNHRTSA-N 1 0 306.793 3.652 10 0 DHAERO Cc1nc2n(n1)CCC[C@H]2N[C@H]1CCCc2c(C)ccc(C)c21 ZINC000186219832 337254752 /nfs/dbraw/zinc/25/47/52/337254752.db2.gz VZBZERTXMDAVMX-DLBZAZTESA-N 1 0 310.445 3.705 10 0 DHAERO CC[C@@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1cccc(F)c1 ZINC000188184483 337271156 /nfs/dbraw/zinc/27/11/56/337271156.db2.gz GKYOUTFXFPDNQW-JKSUJKDBSA-N 1 0 316.424 3.596 10 0 DHAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1csc(Cl)c1 ZINC000191367416 337296249 /nfs/dbraw/zinc/29/62/49/337296249.db2.gz AQJFSHJIKYBANQ-DGCLKSJQSA-N 1 0 322.865 3.511 10 0 DHAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1csc(Cl)c1 ZINC000191367443 337296280 /nfs/dbraw/zinc/29/62/80/337296280.db2.gz AQJFSHJIKYBANQ-YPMHNXCESA-N 1 0 322.865 3.511 10 0 DHAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)o1)C(=O)Nc1ccc(OC)cc1 ZINC000192533030 337306341 /nfs/dbraw/zinc/30/63/41/337306341.db2.gz FPBZLDCVAOHNOZ-CZUORRHYSA-N 1 0 316.401 3.665 10 0 DHAERO COc1ccccc1OCC[NH2+]CCCCc1ccc(C)cc1 ZINC000584594445 337373816 /nfs/dbraw/zinc/37/38/16/337373816.db2.gz FBKCWJMEWKCSMA-UHFFFAOYSA-N 1 0 313.441 3.995 10 0 DHAERO CC[N@H+](CCc1ccccc1)CCc1ccc(F)c(OC)c1 ZINC000584595154 337373901 /nfs/dbraw/zinc/37/39/01/337373901.db2.gz XEACLOYEONJHFH-UHFFFAOYSA-N 1 0 301.405 3.941 10 0 DHAERO [NH3+][C@@H]1CCc2cc(C(=O)Nc3ccc(C4CC4)cc3)ccc2C1 ZINC000584626123 337375946 /nfs/dbraw/zinc/37/59/46/337375946.db2.gz SEVJMWRMURGAJN-GOSISDBHSA-N 1 0 306.409 3.632 10 0 DHAERO CC[C@H](CCOC)c1cc2c(cc1[C@H](C)[NH3+])NC(=O)CC2(C)C ZINC000584654414 337377759 /nfs/dbraw/zinc/37/77/59/337377759.db2.gz NBSAWNYYERHPSM-QWHCGFSZSA-N 1 0 318.461 3.856 10 0 DHAERO Brc1ccc(NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000584636438 337379201 /nfs/dbraw/zinc/37/92/01/337379201.db2.gz HATIFNGZHAZGOW-UHFFFAOYSA-N 1 0 309.251 3.735 10 0 DHAERO C[C@@H](CC[NH+]1CC=CC1)Nc1ccnc2cc(Cl)ccc21 ZINC000584637486 337379510 /nfs/dbraw/zinc/37/95/10/337379510.db2.gz RJFPDFNSBRJRJD-ZDUSSCGKSA-N 1 0 301.821 3.951 10 0 DHAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000035018870 337392610 /nfs/dbraw/zinc/39/26/10/337392610.db2.gz ZACCSMSLYUEFJW-ZJUUUORDSA-N 1 0 303.233 3.559 10 0 DHAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000245921521 337498107 /nfs/dbraw/zinc/49/81/07/337498107.db2.gz QTLDPWOPSFJRNY-VYDXJSESSA-N 1 0 324.472 3.863 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)C12CCOCC2 ZINC000249042051 337569341 /nfs/dbraw/zinc/56/93/41/337569341.db2.gz VFKIDQBTLJNKFW-IPMKNSEASA-N 1 0 315.457 3.628 10 0 DHAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)sc1Br ZINC000285873720 337600489 /nfs/dbraw/zinc/60/04/89/337600489.db2.gz JDAGXRRFAIECQX-IVZWLZJFSA-N 1 0 304.253 3.647 10 0 DHAERO CN(C[C@@H]1CCC[NH2+]C1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000261803718 337610863 /nfs/dbraw/zinc/61/08/63/337610863.db2.gz HEQOYLURHNLSGF-RISCZKNCSA-N 1 0 320.786 3.875 10 0 DHAERO C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H](C[NH3+])C1 ZINC000261862101 337611787 /nfs/dbraw/zinc/61/17/87/337611787.db2.gz RLCSXUFODJHDLB-DNVCBOLYSA-N 1 0 308.425 3.553 10 0 DHAERO CC1(C)CN(C(=O)c2ccccc2Oc2ccccc2)CC[C@@H]1[NH3+] ZINC000262061452 337614754 /nfs/dbraw/zinc/61/47/54/337614754.db2.gz RSAZNFGRPRVLSH-SFHVURJKSA-N 1 0 324.424 3.678 10 0 DHAERO Cc1ccc([C@H](C)NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c(C)c1 ZINC000262234735 337616049 /nfs/dbraw/zinc/61/60/49/337616049.db2.gz HGISVBOYECAJRJ-JHXCCQHYSA-N 1 0 314.473 3.634 10 0 DHAERO C[C@@H](C(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1)C1C[NH2+]C1 ZINC000262352951 337617204 /nfs/dbraw/zinc/61/72/04/337617204.db2.gz GMOVIEMYWRLTQM-CABCVRRESA-N 1 0 322.452 3.747 10 0 DHAERO Cc1cc(C)cc(NC(=[NH2+])NCc2ccnc(OC3CCC3)c2)c1 ZINC000089595663 337871834 /nfs/dbraw/zinc/87/18/34/337871834.db2.gz JCRLFXMTEYATBX-UHFFFAOYSA-N 1 0 324.428 3.766 10 0 DHAERO COc1cc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)ccc1F ZINC000152672741 338209750 /nfs/dbraw/zinc/20/97/50/338209750.db2.gz PLOAAEGUVWAWFK-KSSFIOAISA-N 1 0 316.420 3.788 10 0 DHAERO CC[NH2+]Cc1ccccc1NC(=O)c1cccc(F)c1Cl ZINC000165333742 339052850 /nfs/dbraw/zinc/05/28/50/339052850.db2.gz OOBLOUNYWBATQW-UHFFFAOYSA-N 1 0 306.768 3.841 10 0 DHAERO CC[C@@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC[NH2+]1 ZINC000301720134 340259589 /nfs/dbraw/zinc/25/95/89/340259589.db2.gz URUDPLNTRGRCQP-FQEVSTJZSA-N 1 0 324.424 3.736 10 0 DHAERO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000174417843 340387899 /nfs/dbraw/zinc/38/78/99/340387899.db2.gz QCZXYHDMECZWOO-ZDUSSCGKSA-N 1 0 308.853 3.638 10 0 DHAERO CC(C)[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000218887271 340499457 /nfs/dbraw/zinc/49/94/57/340499457.db2.gz ZXVUDGGQCPZDFK-IMJJTQAJSA-N 1 0 308.853 3.671 10 0 DHAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000224867671 340560050 /nfs/dbraw/zinc/56/00/50/340560050.db2.gz NPOHOWHPYAQPIK-DAXOMENPSA-N 1 0 324.262 3.577 10 0 DHAERO C[C@H](NC(=O)C1([NH3+])CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000237552331 340672070 /nfs/dbraw/zinc/67/20/70/340672070.db2.gz WELHNVUVYZGKRE-NSHDSACASA-N 1 0 314.351 3.544 10 0 DHAERO C[NH2+]Cc1cccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000070579441 341001400 /nfs/dbraw/zinc/00/14/00/341001400.db2.gz DHNYQQOCMIOPFX-UHFFFAOYSA-N 1 0 323.223 3.894 10 0 DHAERO CCCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131911417 341113499 /nfs/dbraw/zinc/11/34/99/341113499.db2.gz RYYQMFLZZNBJBF-LJQANCHMSA-N 1 0 313.445 3.936 10 0 DHAERO Fc1ccc2c(c1)[C@H]([NH+]1CCC(Cn3cccn3)CC1)CCC2 ZINC000132668443 341138095 /nfs/dbraw/zinc/13/80/95/341138095.db2.gz FWNZIDXLIWZAEE-LJQANCHMSA-N 1 0 313.420 3.812 10 0 DHAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1c1ccccc1 ZINC000079495135 341259941 /nfs/dbraw/zinc/25/99/41/341259941.db2.gz UXHLETNRZHJWCH-MSOLQXFVSA-N 1 0 317.477 3.509 10 0 DHAERO Cc1cccc(NC[C@H]2CC[N@H+](CCc3ccccc3F)C2)n1 ZINC000137584429 341276690 /nfs/dbraw/zinc/27/66/90/341276690.db2.gz MGNJPVICPVBOSK-MRXNPFEDSA-N 1 0 313.420 3.506 10 0 DHAERO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2Cl)C1 ZINC000245200607 341285373 /nfs/dbraw/zinc/28/53/73/341285373.db2.gz LIMMLJHMCFCFHA-KGLIPLIRSA-N 1 0 308.853 3.782 10 0 DHAERO c1ccc(NC[C@@H]2CC[N@@H+]([C@H]3CCCc4ccccc43)C2)nc1 ZINC000246068595 341323612 /nfs/dbraw/zinc/32/36/12/341323612.db2.gz BHGQKBYVLQHZQG-LPHOPBHVSA-N 1 0 307.441 3.893 10 0 DHAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000246389213 341346966 /nfs/dbraw/zinc/34/69/66/341346966.db2.gz KMCGMEXZIQTNNF-RHSMWYFYSA-N 1 0 317.477 3.834 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000247010229 341359878 /nfs/dbraw/zinc/35/98/78/341359878.db2.gz LDLFFURGAFXKAU-KFWWJZLASA-N 1 0 317.502 3.862 10 0 DHAERO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247194164 341362000 /nfs/dbraw/zinc/36/20/00/341362000.db2.gz WTHNPSVDPKOKSL-ZWKOTPCHSA-N 1 0 301.409 3.946 10 0 DHAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000248659430 341383470 /nfs/dbraw/zinc/38/34/70/341383470.db2.gz VAZSRULJZTUICA-ZBFHGGJFSA-N 1 0 305.418 3.603 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2C)C12CCOCC2 ZINC000249056421 341392794 /nfs/dbraw/zinc/39/27/94/341392794.db2.gz XSERCIVBLNLHSI-BHIYHBOVSA-N 1 0 317.473 3.928 10 0 DHAERO Cc1csc([C@@H]2C[N@H+](C[C@H]3C(C)=CCC[C@@H]3C)CCO2)n1 ZINC000249062900 341392921 /nfs/dbraw/zinc/39/29/21/341392921.db2.gz IFTPTIKCXBRJQD-BPUTZDHNSA-N 1 0 306.475 3.817 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(CC)cc2)C12CCOCC2 ZINC000249067488 341393066 /nfs/dbraw/zinc/39/30/66/341393066.db2.gz ZRALZEUIKOMUOP-ZYSHUDEJSA-N 1 0 317.473 3.874 10 0 DHAERO CCN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000249396479 341397117 /nfs/dbraw/zinc/39/71/17/341397117.db2.gz GYEVMGGXODPNKT-KGLIPLIRSA-N 1 0 315.383 3.748 10 0 DHAERO C[C@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)[C@H](C[NH3+])C1 ZINC000262498936 341523218 /nfs/dbraw/zinc/52/32/18/341523218.db2.gz LSNGQHHJBCYYFQ-WFASDCNBSA-N 1 0 319.836 3.554 10 0 DHAERO c1ccc2c(c1)OC1(CCCC1)C[C@@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000178430553 341954318 /nfs/dbraw/zinc/95/43/18/341954318.db2.gz ZFOCKQDVSBQOHS-RDJZCZTQSA-N 1 0 301.430 3.839 10 0 DHAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@H]2CCCc3occc32)C1 ZINC000219299427 518812287 /nfs/dbraw/zinc/81/22/87/518812287.db2.gz DPEYQYFDXTYQLS-ZFWWWQNUSA-N 1 0 320.433 3.504 10 0 DHAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(Cl)sc2Cl)[C@@H](C)C1 ZINC000158968116 519697001 /nfs/dbraw/zinc/69/70/01/519697001.db2.gz KXUXBEVMSVAHSI-WPRPVWTQSA-N 1 0 321.273 3.513 10 0 DHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000159035289 519792414 /nfs/dbraw/zinc/79/24/14/519792414.db2.gz GVJJZYAGLPSXEH-CABCVRRESA-N 1 0 301.434 3.694 10 0 DHAERO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc(F)cc1C(F)(F)F ZINC000156697639 519796323 /nfs/dbraw/zinc/79/63/23/519796323.db2.gz ZCXHVPFFOWCZTP-AWEZNQCLSA-N 1 0 306.347 3.650 10 0 DHAERO CC(C)c1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccccc2)n1 ZINC000070456193 519833548 /nfs/dbraw/zinc/83/35/48/519833548.db2.gz CSGHXQZXQWROND-OAHLLOKOSA-N 1 0 310.445 3.679 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C12CCOCC2 ZINC000186198687 520434374 /nfs/dbraw/zinc/43/43/74/520434374.db2.gz VFKIDQBTLJNKFW-CEXWTWQISA-N 1 0 315.457 3.628 10 0 DHAERO CCC[C@@H](C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1)[NH+](C)C ZINC000161691540 520598333 /nfs/dbraw/zinc/59/83/33/520598333.db2.gz DDZOUISUKITNOT-INIZCTEOSA-N 1 0 315.417 3.627 10 0 DHAERO CCC[C@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1 ZINC000180527594 521177427 /nfs/dbraw/zinc/17/74/27/521177427.db2.gz BZZMZRFRBJZUEF-IRXDYDNUSA-N 1 0 312.461 3.847 10 0 DHAERO CCc1csc([C@H]2CCC[N@H+](Cc3ncc(C)s3)C2)n1 ZINC000180460670 522115903 /nfs/dbraw/zinc/11/59/03/522115903.db2.gz UKUCAOPKDVYIDH-LBPRGKRZSA-N 1 0 307.488 3.850 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000106213218 522598538 /nfs/dbraw/zinc/59/85/38/522598538.db2.gz QUWRSNURKXZIQB-GJZGRUSLSA-N 1 0 301.409 3.983 10 0 DHAERO CCc1cccc(CC)c1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000177097501 524068740 /nfs/dbraw/zinc/06/87/40/524068740.db2.gz GLUMFMAFKVMESC-WMLDXEAASA-N 1 0 315.461 3.512 10 0 DHAERO Cc1cc(C)c(C[NH+]2CCC(N(C)c3cccnn3)CC2)c(C)c1 ZINC000106083061 524260399 /nfs/dbraw/zinc/26/03/99/524260399.db2.gz HTEXSMRXTYGWCG-UHFFFAOYSA-N 1 0 324.472 3.503 10 0 DHAERO C[C@H]([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)[C@@H]1CCCO1 ZINC000183089236 525479840 /nfs/dbraw/zinc/47/98/40/525479840.db2.gz YYRIYUZBKUGMOG-NHYWBVRUSA-N 1 0 306.793 3.652 10 0 DHAERO Cc1ccc([C@H]([NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)C2CC2)cc1 ZINC000180534184 525972763 /nfs/dbraw/zinc/97/27/63/525972763.db2.gz WMHGWWBKWDYVOZ-MJGOQNOKSA-N 1 0 324.472 3.766 10 0 DHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nnc(C(C)C)n3C1)CCC2 ZINC000180531126 526212109 /nfs/dbraw/zinc/21/21/09/526212109.db2.gz HJPJLRODPUAVOV-SJLPKXTDSA-N 1 0 324.472 3.692 10 0 DHAERO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccccc3OC(C)C)C2)c1 ZINC000106219885 526267587 /nfs/dbraw/zinc/26/75/87/526267587.db2.gz PYFJQMCTMFBOQQ-SFHVURJKSA-N 1 0 313.445 3.816 10 0 DHAERO Cc1cnn([C@H]2CCC[N@@H+](Cc3cccc(OC(C)C)c3)C2)c1 ZINC000106221119 526267989 /nfs/dbraw/zinc/26/79/89/526267989.db2.gz INWWSAFSALVEPD-SFHVURJKSA-N 1 0 313.445 3.816 10 0 DHAERO Fc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)c(Cl)c1 ZINC000106185431 526330667 /nfs/dbraw/zinc/33/06/67/526330667.db2.gz CZJBHWXEKAVNNH-UHFFFAOYSA-N 1 0 307.800 3.588 10 0 DHAERO c1cc2n(c1)CC[NH2+][C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000032500378 526449840 /nfs/dbraw/zinc/44/98/40/526449840.db2.gz RFQCJEXQNRTZAC-HXUWFJFHSA-N 1 0 304.393 3.760 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000180124112 527449589 /nfs/dbraw/zinc/44/95/89/527449589.db2.gz KWWXDZRIUDGBNS-CQSZACIVSA-N 1 0 307.800 3.649 10 0 DHAERO Cn1nccc1C1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000132115956 527598752 /nfs/dbraw/zinc/59/87/52/527598752.db2.gz VIOOCYDXRDPPSZ-IBGZPJMESA-N 1 0 313.420 3.816 10 0 DHAERO Cc1ccc([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1C ZINC000675052583 563780593 /nfs/dbraw/zinc/78/05/93/563780593.db2.gz BRMCYHPBBQISDI-HZPDHXFCSA-N 1 0 304.434 3.703 10 0 DHAERO CCCn1ncc(C[N@@H+](Cc2ccccn2)CC(C)C)c1C ZINC000055325616 563473868 /nfs/dbraw/zinc/47/38/68/563473868.db2.gz PUDULFWEEISDCG-UHFFFAOYSA-N 1 0 300.450 3.655 10 0 DHAERO CC(C)[C@H](C)[N@H+](Cc1ccco1)Cc1cccn1-c1ncccn1 ZINC000055344074 563474624 /nfs/dbraw/zinc/47/46/24/563474624.db2.gz WZJHPAHZZPWULG-INIZCTEOSA-N 1 0 324.428 3.907 10 0 DHAERO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000068592772 563495058 /nfs/dbraw/zinc/49/50/58/563495058.db2.gz MIYNQZRSMKSJTR-VYDXJSESSA-N 1 0 318.461 3.810 10 0 DHAERO C[C@@H]1[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000068593173 563495437 /nfs/dbraw/zinc/49/54/37/563495437.db2.gz SUMRNPXVOUVXAY-ZMSDIMECSA-N 1 0 318.461 3.810 10 0 DHAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000724098165 563496518 /nfs/dbraw/zinc/49/65/18/563496518.db2.gz CTHLKEGCQWVSMN-CXAGYDPISA-N 1 0 322.474 3.556 10 0 DHAERO CC(C)(C)OC(=O)NC1CCC2(CC1)[NH2+]CCc1sccc12 ZINC000724101832 563496585 /nfs/dbraw/zinc/49/65/85/563496585.db2.gz RNOFFCIAPHISIM-UHFFFAOYSA-N 1 0 322.474 3.556 10 0 DHAERO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000169616761 563647026 /nfs/dbraw/zinc/64/70/26/563647026.db2.gz IBDBUXNMQVARBX-BFYDXBDKSA-N 1 0 318.461 3.953 10 0 DHAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1cccc(Cl)c1 ZINC000675052428 563780560 /nfs/dbraw/zinc/78/05/60/563780560.db2.gz AFUBPSKHCFJUFG-UONOGXRCSA-N 1 0 310.825 3.739 10 0 DHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000675054415 563861805 /nfs/dbraw/zinc/86/18/05/563861805.db2.gz NKNKBHSPJJOESC-UONOGXRCSA-N 1 0 310.825 3.658 10 0 DHAERO Cc1ccc(F)c([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675054283 563861963 /nfs/dbraw/zinc/86/19/63/563861963.db2.gz MSJHDHLGDHJAQE-SWLSCSKDSA-N 1 0 308.397 3.533 10 0 DHAERO CC(=O)N(C1CCC1)[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)CC1 ZINC000328632924 563929877 /nfs/dbraw/zinc/92/98/77/563929877.db2.gz LPAJUDSVQLGTHT-HKUYNNGSSA-N 1 0 304.478 3.598 10 0 DHAERO CN(C(=O)OC1CCC([NH2+]Cc2ccccc2)CC1)C(C)(C)C ZINC000584906741 568413609 /nfs/dbraw/zinc/41/36/09/568413609.db2.gz IJLPCGYCLPHPFO-UHFFFAOYSA-N 1 0 318.461 3.954 10 0 DHAERO Cc1cccc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1C ZINC000675055453 568420064 /nfs/dbraw/zinc/42/00/64/568420064.db2.gz SJJZXCDPHNEUMN-ZBFHGGJFSA-N 1 0 304.434 3.621 10 0 DHAERO c1ncc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)s1 ZINC000093387095 1032537025 /nfs/dbraw/zinc/53/70/25/1032537025.db2.gz CZFJFFGBLLFULH-OAHLLOKOSA-N 1 0 324.453 3.913 10 0 DHAERO Clc1nc2ccccc2cc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000061041107 1025931675 /nfs/dbraw/zinc/93/16/75/1025931675.db2.gz ITDFEUUIBBLRHP-UHFFFAOYSA-N 1 0 315.848 3.558 10 0 DHAERO Cc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1Cl ZINC000072569571 1030578812 /nfs/dbraw/zinc/57/88/12/1030578812.db2.gz JIMLYZINFXBNOF-UHFFFAOYSA-N 1 0 321.852 3.741 10 0 DHAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3c(C)noc3C)C2)cc1 ZINC000076389823 1030789965 /nfs/dbraw/zinc/78/99/65/1030789965.db2.gz JBMRJJWTICQJNE-BLLLJJGKSA-N 1 0 300.402 3.678 10 0 DHAERO COc1ccc([C@@H]2C[C@H](C)N(Cc3nccn3C(F)F)C2)cc1 ZINC000076390380 1030791420 /nfs/dbraw/zinc/79/14/20/1030791420.db2.gz BRUTYWSNOPWNCJ-GXTWGEPZSA-N 1 0 321.371 3.665 10 0 DHAERO CCCc1nc(Cc2ccc(OC)cc2)sc1C[NH2+]CC ZINC000082426973 185180946 /nfs/dbraw/zinc/18/09/46/185180946.db2.gz MWTXIPUMVZHAPC-UHFFFAOYSA-N 1 0 304.459 3.805 10 0 DHAERO C[NH2+]Cc1sc(CCOc2ccccc2)nc1C(C)(C)C ZINC000082440334 185182824 /nfs/dbraw/zinc/18/28/24/185182824.db2.gz XCZLLVTZGMWKRO-UHFFFAOYSA-N 1 0 304.459 3.782 10 0 DHAERO O=C(c1ccc(Br)c2ccccc12)[C@H]1CCC[NH2+]1 ZINC000082726319 185197298 /nfs/dbraw/zinc/19/72/98/185197298.db2.gz ZWYOVYZEQXADIJ-CQSZACIVSA-N 1 0 304.187 3.537 10 0 DHAERO CC[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccs1 ZINC000057245209 334945639 /nfs/dbraw/zinc/94/56/39/334945639.db2.gz PEWXQHQWYKNIQC-ZDUSSCGKSA-N 1 0 323.506 3.808 10 0 DHAERO C[C@@H]([NH3+])Cc1cccc(OCc2cccc(Br)c2)c1 ZINC000037726441 190665056 /nfs/dbraw/zinc/66/50/56/190665056.db2.gz ZCYQBFQDMFJKNI-GFCCVEGCSA-N 1 0 320.230 3.918 10 0 DHAERO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)n2)cc1 ZINC000150692240 186057312 /nfs/dbraw/zinc/05/73/12/186057312.db2.gz OENRCUPSXHVPSO-ZIAGYGMSSA-N 1 0 315.442 3.575 10 0 DHAERO Nc1cccc(C[N@@H+]2CC[C@H](Nc3cccc4cnccc43)C2)c1 ZINC000003942809 181058095 /nfs/dbraw/zinc/05/80/95/181058095.db2.gz KDILGLNJDNVPLP-SFHVURJKSA-N 1 0 318.424 3.503 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N(CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000236793229 202011097 /nfs/dbraw/zinc/01/10/97/202011097.db2.gz LOUMTGJVLYKPMV-FZMZJTMJSA-N 1 0 316.367 3.742 10 0 DHAERO CC[NH+](CC)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H](C)C1 ZINC000073657282 191337566 /nfs/dbraw/zinc/33/75/66/191337566.db2.gz NBVXDOQTLVBPPB-DOTOQJQBSA-N 1 0 304.434 3.518 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000237001401 202116462 /nfs/dbraw/zinc/11/64/62/202116462.db2.gz JFZZXLORRICHTM-IAGOWNOFSA-N 1 0 316.832 3.673 10 0 DHAERO O=C(c1ccccc1)c1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000095935494 193449845 /nfs/dbraw/zinc/44/98/45/193449845.db2.gz XSJZQHVJMJGGAF-GOSISDBHSA-N 1 0 309.409 3.829 10 0 DHAERO CN(Cc1ccccc1)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000019264776 182112163 /nfs/dbraw/zinc/11/21/63/182112163.db2.gz AMWCGZLXINPZRH-MRXNPFEDSA-N 1 0 319.246 3.581 10 0 DHAERO COc1ccc(C[C@@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000019430024 182122942 /nfs/dbraw/zinc/12/29/42/182122942.db2.gz MIPOJDRRLQLQOT-OAHLLOKOSA-N 1 0 306.203 3.700 10 0 DHAERO [NH3+]C[C@@H](c1cccc(Br)c1)N1CCc2ccccc21 ZINC000019509496 182126734 /nfs/dbraw/zinc/12/67/34/182126734.db2.gz ZWESUHIKKMHPNL-INIZCTEOSA-N 1 0 317.230 3.512 10 0 DHAERO COc1ccc(C[C@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000019430026 182123324 /nfs/dbraw/zinc/12/33/24/182123324.db2.gz MIPOJDRRLQLQOT-HNNXBMFYSA-N 1 0 306.203 3.700 10 0 DHAERO [NH3+]C[C@@H](Oc1ccccc1Br)c1ccccc1F ZINC000019671679 182134987 /nfs/dbraw/zinc/13/49/87/182134987.db2.gz SXQJWERQUPZGAL-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO C[NH2+]Cc1cccc(OCc2ccc(Br)cc2)c1 ZINC000019777252 182147884 /nfs/dbraw/zinc/14/78/84/182147884.db2.gz HBTZOUDGBZZRMK-UHFFFAOYSA-N 1 0 306.203 3.748 10 0 DHAERO [NH3+][C@@H](c1ccc2c(c1)CCO2)c1cc(F)ccc1Br ZINC000019971011 182171812 /nfs/dbraw/zinc/17/18/12/182171812.db2.gz HRHPPVMPECJQDM-HNNXBMFYSA-N 1 0 322.177 3.571 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2cc(Br)ccc2F)c(C)c1 ZINC000019972185 182172615 /nfs/dbraw/zinc/17/26/15/182172615.db2.gz NHUMENNLGHBXBU-OAHLLOKOSA-N 1 0 324.193 3.953 10 0 DHAERO CCC[NH+](CCC)CC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000019996497 182175472 /nfs/dbraw/zinc/17/54/72/182175472.db2.gz QVARGVQCQAGJTN-UHFFFAOYSA-N 1 0 318.248 3.636 10 0 DHAERO Cc1cc(Cl)cc(C)c1OCc1ccc(C(N)=[NH2+])cc1F ZINC000020019013 182178818 /nfs/dbraw/zinc/17/88/18/182178818.db2.gz VBRMVFRWZCHJDM-UHFFFAOYSA-N 1 0 306.768 3.959 10 0 DHAERO CCCN(CCC)[C@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000020023254 182179568 /nfs/dbraw/zinc/17/95/68/182179568.db2.gz JCDFOPXKXGJQQB-CYBMUJFWSA-N 1 0 304.356 3.707 10 0 DHAERO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](N)c2cccc(C(F)(F)F)c2)C1 ZINC000020022957 182179787 /nfs/dbraw/zinc/17/97/87/182179787.db2.gz YEFMNVRZMOMKLW-TYNCELHUSA-N 1 0 300.368 3.683 10 0 DHAERO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1)N(C)C ZINC000020145579 182192480 /nfs/dbraw/zinc/19/24/80/182192480.db2.gz XTNUTBTVBBQHEQ-IUODEOHRSA-N 1 0 313.283 3.686 10 0 DHAERO C[C@@H]([NH3+])[C@@H](C)C(=O)N(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000192015994 335022258 /nfs/dbraw/zinc/02/22/58/335022258.db2.gz QLIJUNYNWCJBAN-ZIAGYGMSSA-N 1 0 316.832 3.857 10 0 DHAERO CC(C)C[C@H]([NH3+])C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505429 182225751 /nfs/dbraw/zinc/22/57/51/182225751.db2.gz JPRFWAVNJOPAEU-JTQLQIEISA-N 1 0 309.624 3.959 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2ccccc2F)cc1Br ZINC000020522151 182226791 /nfs/dbraw/zinc/22/67/91/182226791.db2.gz XLHFGXYFXKMWRA-CQSZACIVSA-N 1 0 310.166 3.645 10 0 DHAERO COc1ccc(Br)cc1[C@H]([NH3+])c1ccc(C)cc1 ZINC000020586918 182235686 /nfs/dbraw/zinc/23/56/86/182235686.db2.gz YRSANNQWLPRZTI-OAHLLOKOSA-N 1 0 306.203 3.814 10 0 DHAERO COCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020875193 182251589 /nfs/dbraw/zinc/25/15/89/182251589.db2.gz DLUKHSRKSOLMQW-UHFFFAOYSA-N 1 0 319.832 3.963 10 0 DHAERO CN1CCC[C@@H]([N@H+](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000022935731 182341960 /nfs/dbraw/zinc/34/19/60/182341960.db2.gz GWSDEZBGUQLVNF-CYBMUJFWSA-N 1 0 301.261 3.562 10 0 DHAERO COc1ccc(Br)cc1C[NH2+][C@@H](C)CC(C)C ZINC000037260409 182876555 /nfs/dbraw/zinc/87/65/55/182876555.db2.gz VVUBYKVADOPOKE-NSHDSACASA-N 1 0 300.240 3.982 10 0 DHAERO CC[NH2+][C@@H](Cc1cccc(Br)c1)Cc1ccccn1 ZINC000037535423 182905064 /nfs/dbraw/zinc/90/50/64/182905064.db2.gz GYPFMCBJGDKCSK-INIZCTEOSA-N 1 0 319.246 3.607 10 0 DHAERO [NH3+]CCc1ccc(OCc2ccccc2Br)cc1 ZINC000037720384 182920074 /nfs/dbraw/zinc/92/00/74/182920074.db2.gz WJMRWFUOVSZANU-UHFFFAOYSA-N 1 0 306.203 3.529 10 0 DHAERO [NH3+]CCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000037720774 182920110 /nfs/dbraw/zinc/92/01/10/182920110.db2.gz WGBKYXCPARFTQR-UHFFFAOYSA-N 1 0 324.193 3.668 10 0 DHAERO C[C@@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccc(Br)c1 ZINC000038012370 182962700 /nfs/dbraw/zinc/96/27/00/182962700.db2.gz ZCXGPYUBRRFTOO-UGFHNGPFSA-N 1 0 312.251 3.793 10 0 DHAERO CC(C)(C)NNc1[nH+]cnc(Oc2ccc3ccccc3c2)c1N ZINC000040687873 183117887 /nfs/dbraw/zinc/11/78/87/183117887.db2.gz ZNUWVFXFGLWKDN-UHFFFAOYSA-N 1 0 323.400 3.719 10 0 DHAERO C[C@H]1CCCC[N@@H+]1CC[C@H](O)c1ccc(Br)cc1 ZINC000041145253 183175833 /nfs/dbraw/zinc/17/58/33/183175833.db2.gz KNBPCVWMVHEVMW-WFASDCNBSA-N 1 0 312.251 3.747 10 0 DHAERO [NH3+]C[C@H](Cc1ccccc1)Cc1cccc(Br)c1 ZINC000041528863 183197804 /nfs/dbraw/zinc/19/78/04/183197804.db2.gz GMIMVYBHNWHFTJ-OAHLLOKOSA-N 1 0 304.231 3.809 10 0 DHAERO CN(CCC[NH2+]C(C)(C)C)Cc1ccc(Br)cc1 ZINC000042440109 183270641 /nfs/dbraw/zinc/27/06/41/183270641.db2.gz NYRBFOBENKCRRW-UHFFFAOYSA-N 1 0 313.283 3.659 10 0 DHAERO C[C@H]1CCC[C@H](N(C)c2cc(Br)ccc2C[NH3+])C1 ZINC000042493955 183277192 /nfs/dbraw/zinc/27/71/92/183277192.db2.gz HZHCRKKBWDLSGQ-FZMZJTMJSA-N 1 0 311.267 3.923 10 0 DHAERO CC(C)CN([C@@H](C[NH3+])c1ccccc1Br)C1CC1 ZINC000042555299 183284263 /nfs/dbraw/zinc/28/42/63/183284263.db2.gz DIDOLVMEDRMSBH-HNNXBMFYSA-N 1 0 311.267 3.569 10 0 DHAERO CC(C)C[N@H+](C(C)C)[C@H](CN)c1cc(Br)cs1 ZINC000042579837 183286907 /nfs/dbraw/zinc/28/69/07/183286907.db2.gz XFKOYGBZOVTQGR-GFCCVEGCSA-N 1 0 319.312 3.877 10 0 DHAERO CC(C)C[C@H](C)N(C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042577485 183287019 /nfs/dbraw/zinc/28/70/19/183287019.db2.gz FYSZFPBTGCABIX-QWRGUYRKSA-N 1 0 319.312 3.877 10 0 DHAERO CC(C)C[N@H+](CC(=O)c1cccc(Br)c1)C(C)C ZINC000042587890 183288102 /nfs/dbraw/zinc/28/81/02/183288102.db2.gz FQQHHQDXGSHSNI-UHFFFAOYSA-N 1 0 312.251 3.998 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)CN1CCCC1)c1ccc(Br)s1 ZINC000042598396 183289904 /nfs/dbraw/zinc/28/99/04/183289904.db2.gz QYUFEMXUEFUKPW-WDEREUQCSA-N 1 0 317.296 3.646 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCCCCC1 ZINC000042951899 183320720 /nfs/dbraw/zinc/32/07/20/183320720.db2.gz NCHDALWPFGGLJU-WFASDCNBSA-N 1 0 311.267 3.713 10 0 DHAERO CC[C@@H]1CCCN1[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954019 183321507 /nfs/dbraw/zinc/32/15/07/183321507.db2.gz YBVVVKDWZTWRKG-KCPJHIHWSA-N 1 0 311.267 3.712 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CC[C@H](C)C1 ZINC000042954122 183321840 /nfs/dbraw/zinc/32/18/40/183321840.db2.gz NLMCWRAYLMDOER-CQDKDKBSSA-N 1 0 311.267 3.569 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCC[C@@H]1C ZINC000042954007 183321883 /nfs/dbraw/zinc/32/18/83/183321883.db2.gz BEYZNGJQPATCIT-TUKIKUTGSA-N 1 0 311.267 3.712 10 0 DHAERO [NH3+]C[C@@H](OCc1ccccc1)c1ccc(Br)cc1 ZINC000042956292 183322804 /nfs/dbraw/zinc/32/28/04/183322804.db2.gz BZZXRHHZURBFED-OAHLLOKOSA-N 1 0 306.203 3.666 10 0 DHAERO Cc1nn([C@@H](c2ccc(Br)cc2)[C@@H](C)[NH3+])c(C)c1C ZINC000042956112 183323066 /nfs/dbraw/zinc/32/30/66/183323066.db2.gz VNLVAJNLMYKWIH-MEBBXXQBSA-N 1 0 322.250 3.507 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)n1nc(C)cc1C ZINC000042955894 183323074 /nfs/dbraw/zinc/32/30/74/183323074.db2.gz RTGHLEQLNVTWCS-GJZGRUSLSA-N 1 0 322.250 3.589 10 0 DHAERO [NH3+]C[C@H](Oc1cccc(Br)c1)c1cccc(F)c1 ZINC000042973564 183325244 /nfs/dbraw/zinc/32/52/44/183325244.db2.gz KRUHAXQWOYCXRC-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO CCC[N@H+](CC)[C@H](c1cccc(Br)c1)[C@H](N)CC ZINC000043020351 183328569 /nfs/dbraw/zinc/32/85/69/183328569.db2.gz QYLOAELYHLEBLL-HUUCEWRRSA-N 1 0 313.283 3.959 10 0 DHAERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CC1CC1 ZINC000043021051 183329847 /nfs/dbraw/zinc/32/98/47/183329847.db2.gz GDRNMRKDUUXWMP-CABCVRRESA-N 1 0 311.267 3.569 10 0 DHAERO COc1cccc(O[C@@H](C[NH3+])c2cccc(Br)c2)c1 ZINC000043022487 183330446 /nfs/dbraw/zinc/33/04/46/183330446.db2.gz PVGAPVBZFNEERS-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO CC(C)CCO[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043022867 183330691 /nfs/dbraw/zinc/33/06/91/183330691.db2.gz NERNXWHNNPOHJW-BXUZGUMPSA-N 1 0 300.240 3.900 10 0 DHAERO [NH3+]C[C@@H](SCc1ccco1)c1ccccc1Br ZINC000043096124 183337444 /nfs/dbraw/zinc/33/74/44/183337444.db2.gz CYPXQDQTYLWCLG-CYBMUJFWSA-N 1 0 312.232 3.975 10 0 DHAERO C[C@H]([NH3+])[C@H](Oc1ccccc1Br)c1cccs1 ZINC000043110036 183338432 /nfs/dbraw/zinc/33/84/32/183338432.db2.gz PGMJPTXURLSULJ-ZANVPECISA-N 1 0 312.232 3.978 10 0 DHAERO [NH3+]C[C@H](Sc1ccc(C(F)(F)F)cn1)c1cccs1 ZINC000043112938 183339357 /nfs/dbraw/zinc/33/93/57/183339357.db2.gz FMLWTGMRDVGDNZ-JTQLQIEISA-N 1 0 304.362 3.954 10 0 DHAERO CC[C@@H](C)[C@@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000049596123 183745148 /nfs/dbraw/zinc/74/51/48/183745148.db2.gz MEHWCMPBUJNBAA-VXGBXAGGSA-N 1 0 300.240 3.852 10 0 DHAERO CC[NH2+][C@H]1CCC[C@@H]1CCOc1cccc(Br)c1 ZINC000049597088 183745721 /nfs/dbraw/zinc/74/57/21/183745721.db2.gz YWNYMYZDXFJPDA-DOMZBBRYSA-N 1 0 312.251 3.996 10 0 DHAERO COc1ccc(Br)cc1C[C@@]1([NH3+])CCC[C@@H](C)C1 ZINC000049597818 183746109 /nfs/dbraw/zinc/74/61/09/183746109.db2.gz UDWRKNYIDNVLRO-IAQYHMDHSA-N 1 0 312.251 3.908 10 0 DHAERO C[NH2+]C[C@H](OCc1ccccc1)c1ccccc1Br ZINC000050488345 183787899 /nfs/dbraw/zinc/78/78/99/183787899.db2.gz AKANCQKHYDDYDR-INIZCTEOSA-N 1 0 320.230 3.926 10 0 DHAERO C[NH2+]C[C@@H](OCCC(C)C)c1ccc(Br)cc1 ZINC000050493159 183788077 /nfs/dbraw/zinc/78/80/77/183788077.db2.gz MSEJQWJDHKBDGO-CQSZACIVSA-N 1 0 300.240 3.772 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](n1nc(C)c(Br)c1C)C(C)(C)C ZINC000050588944 183789443 /nfs/dbraw/zinc/78/94/43/183789443.db2.gz FLIQJKZFICTQJK-ZYHUDNBSSA-N 1 0 302.260 3.587 10 0 DHAERO CC[C@@H](C[NH2+]CC(C)C)Oc1ccccc1Br ZINC000052647256 183867539 /nfs/dbraw/zinc/86/75/39/183867539.db2.gz RSEPCNFURDLFDD-LBPRGKRZSA-N 1 0 300.240 3.852 10 0 DHAERO CC(C)OCCC[NH2+]CCOc1cccc(Cl)c1Cl ZINC000053585014 183906659 /nfs/dbraw/zinc/90/66/59/183906659.db2.gz YRSNJCMDFXZODT-UHFFFAOYSA-N 1 0 306.233 3.777 10 0 DHAERO C[C@@H](C[NH2+]C[C@H]1CCCO1)Oc1cccc(Cl)c1Cl ZINC000053584988 183906972 /nfs/dbraw/zinc/90/69/72/183906972.db2.gz MSQALIWJFOQDMV-WDEREUQCSA-N 1 0 304.217 3.529 10 0 DHAERO CCC[C@@](C)(C[NH3+])Cc1ccc(OC)c(Br)c1 ZINC000054636196 183946880 /nfs/dbraw/zinc/94/68/80/183946880.db2.gz UBQDQJXHCSUFCT-CQSZACIVSA-N 1 0 300.240 3.765 10 0 DHAERO [NH3+]C[C@@H](Nc1ccccc1F)c1cccc(Br)c1 ZINC000057653633 184043989 /nfs/dbraw/zinc/04/39/89/184043989.db2.gz YOPFCUZYIPVULH-CQSZACIVSA-N 1 0 309.182 3.700 10 0 DHAERO [NH3+]C[C@H](Nc1cccc(F)c1)c1cccc(Br)c1 ZINC000057653637 184044077 /nfs/dbraw/zinc/04/40/77/184044077.db2.gz XADGEBDEAZCRAU-AWEZNQCLSA-N 1 0 309.182 3.700 10 0 DHAERO Cc1ccc([C@@H](C[NH3+])Nc2ccc(Br)cc2)cc1 ZINC000057634073 184043172 /nfs/dbraw/zinc/04/31/72/184043172.db2.gz QLQISHSZDQIEPX-OAHLLOKOSA-N 1 0 305.219 3.869 10 0 DHAERO [NH3+][C@H](Cc1cccs1)Cc1cc(F)ccc1Br ZINC000060706588 184154320 /nfs/dbraw/zinc/15/43/20/184154320.db2.gz FBMRHMTVBUEKOL-NSHDSACASA-N 1 0 314.223 3.762 10 0 DHAERO C[N@H+](CC[C@@H](O)c1ccc(Br)cc1)CC1CCC1 ZINC000061485234 184171524 /nfs/dbraw/zinc/17/15/24/184171524.db2.gz JBAHSDHGOHBZKO-OAHLLOKOSA-N 1 0 312.251 3.605 10 0 DHAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000061268860 184167101 /nfs/dbraw/zinc/16/71/01/184167101.db2.gz NETFYDIGVYCQKK-SSDOTTSWSA-N 1 0 309.624 3.973 10 0 DHAERO C[C@H]([NH3+])c1ccc(-n2ccc(C3CC3)n2)c(Br)c1 ZINC000061698579 184183843 /nfs/dbraw/zinc/18/38/43/184183843.db2.gz DVRQELZXLBHSOS-VIFPVBQESA-N 1 0 306.207 3.532 10 0 DHAERO C[NH2+][C@H](C)c1ccc(-n2cnc(C)c2C)c(Br)c1 ZINC000061698541 184183890 /nfs/dbraw/zinc/18/38/90/184183890.db2.gz MLWRLRSLOAAOPR-SNVBAGLBSA-N 1 0 308.223 3.532 10 0 DHAERO Clc1ccc(Br)cc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061983996 184199854 /nfs/dbraw/zinc/19/98/54/184199854.db2.gz SZMAYGGBEPBQRK-SNVBAGLBSA-N 1 0 315.642 3.751 10 0 DHAERO C[NH2+]Cc1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000062700950 184247712 /nfs/dbraw/zinc/24/77/12/184247712.db2.gz GTIVQCCSMDKNTC-UHFFFAOYSA-N 1 0 324.193 3.887 10 0 DHAERO [NH3+]CCc1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000062703786 184248371 /nfs/dbraw/zinc/24/83/71/184248371.db2.gz BINSCJNTHFTUHN-UHFFFAOYSA-N 1 0 324.193 3.668 10 0 DHAERO Cc1cc(Br)ccc1Oc1ccc(C(N)=[NH2+])cc1 ZINC000063062048 184268583 /nfs/dbraw/zinc/26/85/83/184268583.db2.gz LMLKAUIEWBUAAI-UHFFFAOYSA-N 1 0 305.175 3.834 10 0 DHAERO C[NH2+]C[C@H]1CCCCN1[C@@H](C)c1cccc(Br)c1 ZINC000063166522 184275103 /nfs/dbraw/zinc/27/51/03/184275103.db2.gz JEYWAPRUPINRMR-SWLSCSKDSA-N 1 0 311.267 3.584 10 0 DHAERO CCC(CC)C[C@@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000068591303 184492789 /nfs/dbraw/zinc/49/27/89/184492789.db2.gz MXBWNMKGTJGIHS-INIZCTEOSA-N 1 0 312.498 3.953 10 0 DHAERO C[C@@H]([NH2+]CCc1ccsc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279683903 130757406 /nfs/dbraw/zinc/75/74/06/130757406.db2.gz HKSZYPFGQUUAIS-UKRRQHHQSA-N 1 0 324.490 3.526 10 0 DHAERO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccccn3)CC2)CC(C)(C)C1 ZINC000121362162 132155448 /nfs/dbraw/zinc/15/54/48/132155448.db2.gz ZPAPJXBIVKNGSO-RDJZCZTQSA-N 1 0 301.478 3.855 10 0 DHAERO CC1(C)CC(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000175115837 332876126 /nfs/dbraw/zinc/87/61/26/332876126.db2.gz KRJPQDOABGIKFS-HOTGVXAUSA-N 1 0 306.494 3.628 10 0 DHAERO Cc1ccccc1[C@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccccc1 ZINC000175172349 332877222 /nfs/dbraw/zinc/87/72/22/332877222.db2.gz KFOGEIGTABFQJL-LAUBAEHRSA-N 1 0 322.452 3.685 10 0 DHAERO Cc1cnn(CC[NH2+][C@@H](CSc2ccccc2)C(C)C)c1 ZINC000180801161 331577362 /nfs/dbraw/zinc/57/73/62/331577362.db2.gz AWCMYZXNCBUIRZ-KRWDZBQOSA-N 1 0 303.475 3.598 10 0 DHAERO CCCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000037619395 331581084 /nfs/dbraw/zinc/58/10/84/331581084.db2.gz LFHACDHKYOWKBD-LLVKDONJSA-N 1 0 308.731 3.815 10 0 DHAERO [NH3+][C@H]1CCC[C@@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)C1 ZINC000262011070 331786653 /nfs/dbraw/zinc/78/66/53/331786653.db2.gz WLRHXLYNWSVTKV-NJVMCNKBSA-N 1 0 301.434 3.522 10 0 DHAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000261726349 331851731 /nfs/dbraw/zinc/85/17/31/331851731.db2.gz QRHZXTDHMDZASC-SECBINFHSA-N 1 0 320.742 3.830 10 0 DHAERO Cc1cc(-c2nc(C3([NH3+])CCCCC3)no2)c2ccccc2n1 ZINC000261754588 331963627 /nfs/dbraw/zinc/96/36/27/331963627.db2.gz PGYREFFTWLKVTD-UHFFFAOYSA-N 1 0 308.385 3.711 10 0 DHAERO CC[C@@]1(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000128974115 332016608 /nfs/dbraw/zinc/01/66/08/332016608.db2.gz AQQQAMHZGMJJDZ-BONVTDFDSA-N 1 0 315.244 3.703 10 0 DHAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1F)[C@H]([NH3+])c1ccccc1 ZINC000130202947 332023444 /nfs/dbraw/zinc/02/34/44/332023444.db2.gz HXAUSKXPEDYTJM-BMIGLBTASA-N 1 0 306.768 3.754 10 0 DHAERO C[C@@H]1CC(CC[NH+]2CCC(C(=O)N3CCCC3)CC2)C[C@@H](C)C1 ZINC000089102227 332063019 /nfs/dbraw/zinc/06/30/19/332063019.db2.gz QWPMGWCCUOMSQA-IRXDYDNUSA-N 1 0 320.521 3.783 10 0 DHAERO CSC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000187742640 332146740 /nfs/dbraw/zinc/14/67/40/332146740.db2.gz QUMJMOKKNRADJA-KSSFIOAISA-N 1 0 301.455 3.728 10 0 DHAERO Cc1sc2nc(C)nc(NC[C@H]3CCC[C@@H]([NH3+])C3)c2c1C ZINC000261794190 332371272 /nfs/dbraw/zinc/37/12/72/332371272.db2.gz YDBGNMZQIBOOQQ-QWHCGFSZSA-N 1 0 304.463 3.546 10 0 DHAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000180136520 333027308 /nfs/dbraw/zinc/02/73/08/333027308.db2.gz JZPHQJKTQJMQGY-HOTGVXAUSA-N 1 0 323.440 3.829 10 0 DHAERO Cc1cnn(CC[NH2+]CC(c2ccccc2)c2ccccc2)c1 ZINC000180234519 333027363 /nfs/dbraw/zinc/02/73/63/333027363.db2.gz RRUNIDRJGISSKK-UHFFFAOYSA-N 1 0 305.425 3.613 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1nc2ccccc2n1C ZINC000180136549 333027426 /nfs/dbraw/zinc/02/74/26/333027426.db2.gz JZPHQJKTQJMQGY-JKSUJKDBSA-N 1 0 323.440 3.829 10 0 DHAERO Cc1noc(CC[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2C)n1 ZINC000180842432 333028852 /nfs/dbraw/zinc/02/88/52/333028852.db2.gz TUJPCLPCNREWKA-FQEVSTJZSA-N 1 0 321.424 3.917 10 0 DHAERO CC(C)CCOc1ccc(C[NH+]2CCC([C@H](C)O)CC2)cc1 ZINC000092970414 333156539 /nfs/dbraw/zinc/15/65/39/333156539.db2.gz HGYPEUPBGXWGEK-INIZCTEOSA-N 1 0 305.462 3.704 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCC2(F)CCC2)C1 ZINC000497313574 333234565 /nfs/dbraw/zinc/23/45/65/333234565.db2.gz LFPGYOKTDNYHJA-AWEZNQCLSA-N 1 0 314.445 3.505 10 0 DHAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)COCc1ccccc1)CC2 ZINC000390580192 333303613 /nfs/dbraw/zinc/30/36/13/333303613.db2.gz IKMVXLBYYHPQLN-FOIQADDNSA-N 1 0 311.425 3.877 10 0 DHAERO CCN1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000040503008 333353608 /nfs/dbraw/zinc/35/36/08/333353608.db2.gz BQKSFAKSRAWTBQ-QGZVFWFLSA-N 1 0 300.471 3.989 10 0 DHAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000048769629 334296131 /nfs/dbraw/zinc/29/61/31/334296131.db2.gz AUDJRNKNXPMJNK-SNVBAGLBSA-N 1 0 316.232 3.599 10 0 DHAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049129470 334314907 /nfs/dbraw/zinc/31/49/07/334314907.db2.gz BTQWUGSQXLARLI-VHSXEESVSA-N 1 0 302.871 3.745 10 0 DHAERO Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c(Oc2ccccc2)c1 ZINC000161940547 334897483 /nfs/dbraw/zinc/89/74/83/334897483.db2.gz RNNUSVKFPMRTPJ-NVXWUHKLSA-N 1 0 324.424 3.531 10 0 DHAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000028878668 335674403 /nfs/dbraw/zinc/67/44/03/335674403.db2.gz LZTFVQTUJQJRGI-CHWSQXEVSA-N 1 0 317.820 3.721 10 0 DHAERO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCOc3ccccc31)C2 ZINC000192437922 336032316 /nfs/dbraw/zinc/03/23/16/336032316.db2.gz JEIKRXNGENPVHU-MAUKXSAKSA-N 1 0 309.409 3.666 10 0 DHAERO CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccc(Br)c1 ZINC000324270254 336125885 /nfs/dbraw/zinc/12/58/85/336125885.db2.gz KOZCXEICVQUIFY-ZIAGYGMSSA-N 1 0 314.267 3.897 10 0 DHAERO CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccc(Br)c1 ZINC000324270253 336125968 /nfs/dbraw/zinc/12/59/68/336125968.db2.gz KOZCXEICVQUIFY-UONOGXRCSA-N 1 0 314.267 3.897 10 0 DHAERO CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2CCOC3(CCC3)C2)C1)C(N)=O ZINC000333288505 336201169 /nfs/dbraw/zinc/20/11/69/336201169.db2.gz ZOJWVRZYTUHUOP-LSDHHAIUSA-N 1 0 308.466 3.752 10 0 DHAERO CCS[C@H]1CC[C@]1(O)CNc1cc(C)[nH+]c2ccccc12 ZINC000301484286 336309672 /nfs/dbraw/zinc/30/96/72/336309672.db2.gz GOZYWJNAMUCDOQ-IRXDYDNUSA-N 1 0 302.443 3.602 10 0 DHAERO Cc1cccc2c(N[C@@H]3CCN(C(=O)C4CCCC4)C3)cc[nH+]c12 ZINC000301704575 336324580 /nfs/dbraw/zinc/32/45/80/336324580.db2.gz HVOCOVVUOYZLOC-MRXNPFEDSA-N 1 0 323.440 3.746 10 0 DHAERO CCc1cc(N2CCC3(CC2)OC[C@H](C)O3)c2ccccc2[nH+]1 ZINC000301781770 336329460 /nfs/dbraw/zinc/32/94/60/336329460.db2.gz JCNZJPXWPBIKNK-AWEZNQCLSA-N 1 0 312.413 3.529 10 0 DHAERO CCS[C@@H]1CC[C@]1(O)CNc1cc(CC)[nH+]c2ccccc12 ZINC000301793254 336330381 /nfs/dbraw/zinc/33/03/81/336330381.db2.gz OMOJBYIDCZSMIW-MSOLQXFVSA-N 1 0 316.470 3.856 10 0 DHAERO CC(C)C[N@@H+]1CC[C@H](CNc2ccnc3c(F)cc(F)cc23)C1 ZINC000302394323 336358155 /nfs/dbraw/zinc/35/81/55/336358155.db2.gz DRUFASNXBALSLB-CYBMUJFWSA-N 1 0 319.399 3.903 10 0 DHAERO CCOc1cc(C[NH2+][C@@H]2C[C@@H]2C)ccc1OCC(F)(F)F ZINC000105437150 336387491 /nfs/dbraw/zinc/38/74/91/336387491.db2.gz CDHDRCQWNHPNCT-CMPLNLGQSA-N 1 0 303.324 3.524 10 0 DHAERO Cc1nc(-c2ccccc2)sc1CNC(=[NH2+])NC1CCCC1 ZINC000171413144 337087317 /nfs/dbraw/zinc/08/73/17/337087317.db2.gz DKAIWBKCMHXXLA-UHFFFAOYSA-N 1 0 314.458 3.675 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000171524359 337087702 /nfs/dbraw/zinc/08/77/02/337087702.db2.gz OLGPZZWAJMMMSO-GFCCVEGCSA-N 1 0 309.866 3.998 10 0 DHAERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)Nc1c(F)cccc1F ZINC000172603680 337130327 /nfs/dbraw/zinc/13/03/27/337130327.db2.gz USYZCDYRFDMSSD-NXEZZACHSA-N 1 0 310.369 3.704 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000178034465 337159995 /nfs/dbraw/zinc/15/99/95/337159995.db2.gz KHHURBQCKPELKW-SJORKVTESA-N 1 0 316.832 3.673 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc([S@](C)=O)cc1 ZINC000178276076 337161948 /nfs/dbraw/zinc/16/19/48/337161948.db2.gz BOJDBYYALQZJDM-GZOOOWMASA-N 1 0 315.438 3.598 10 0 DHAERO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC000178547979 337163613 /nfs/dbraw/zinc/16/36/13/337163613.db2.gz VBFWAXRTMYXVNE-QGZVFWFLSA-N 1 0 304.482 3.931 10 0 DHAERO COCc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)c1 ZINC000179206082 337168247 /nfs/dbraw/zinc/16/82/47/337168247.db2.gz RYOHCJRPSDBEQF-KRWDZBQOSA-N 1 0 316.470 3.978 10 0 DHAERO CCC[C@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1 ZINC000180634461 337176723 /nfs/dbraw/zinc/17/67/23/337176723.db2.gz JPXOGVRXHMGSQN-IRXDYDNUSA-N 1 0 312.461 3.847 10 0 DHAERO CC[C@@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1F ZINC000180857927 337178146 /nfs/dbraw/zinc/17/81/46/337178146.db2.gz YADIJKKUHJGAHB-CZUORRHYSA-N 1 0 316.424 3.596 10 0 DHAERO Cc1ccccc1[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccccc1 ZINC000180947560 337178867 /nfs/dbraw/zinc/17/88/67/337178867.db2.gz YSAXREORBDGLOQ-GHTZIAJQSA-N 1 0 317.436 3.955 10 0 DHAERO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182062223 337186113 /nfs/dbraw/zinc/18/61/13/337186113.db2.gz LKXMXVYCMRKCAP-SCLBCKFNSA-N 1 0 315.388 3.966 10 0 DHAERO c1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCCCC1)CC2 ZINC000183319015 337192837 /nfs/dbraw/zinc/19/28/37/337192837.db2.gz KRTBPBCYDXFVPB-HKUYNNGSSA-N 1 0 310.445 3.504 10 0 DHAERO Cc1coc2ccc(NC(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)cc12 ZINC000187926490 337268884 /nfs/dbraw/zinc/26/88/84/337268884.db2.gz GNZYUTRNZDEZRJ-LRDDRELGSA-N 1 0 315.417 3.591 10 0 DHAERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2cnc(C3CCCC3)s2)cn1 ZINC000188417439 337273131 /nfs/dbraw/zinc/27/31/31/337273131.db2.gz AXVYZFTXKTWXMP-HNNXBMFYSA-N 1 0 316.474 3.662 10 0 DHAERO C[C@@H](NCc1cncc(F)c1)c1ccccc1Br ZINC000230942190 337275284 /nfs/dbraw/zinc/27/52/84/337275284.db2.gz XNZHADSUPDAXFE-SNVBAGLBSA-N 1 0 309.182 3.834 10 0 DHAERO CC(C)c1cccc(-c2ccc(C(=O)N3CC[NH2+][C@H](C)C3)o2)c1 ZINC000189016719 337276560 /nfs/dbraw/zinc/27/65/60/337276560.db2.gz WBNZXXRJUFZISH-CQSZACIVSA-N 1 0 312.413 3.504 10 0 DHAERO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)o1 ZINC000190286907 337286430 /nfs/dbraw/zinc/28/64/30/337286430.db2.gz CSOSDWFXDSMADS-IRWJRLHMSA-N 1 0 317.454 3.672 10 0 DHAERO COc1cccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1F ZINC000192951503 337308639 /nfs/dbraw/zinc/30/86/39/337308639.db2.gz QXOIBCOLPQZFEU-HNNXBMFYSA-N 1 0 317.408 3.522 10 0 DHAERO CC(=O)CC(=O)OCCCCCCCCCCCC[NH+](C)C ZINC000584600528 337370739 /nfs/dbraw/zinc/37/07/39/337370739.db2.gz JTHGOVJSAXWOCM-UHFFFAOYSA-N 1 0 313.482 3.971 10 0 DHAERO O=c1c2ccccc2ccn1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000584613090 337372501 /nfs/dbraw/zinc/37/25/01/337372501.db2.gz YOYXEYWHTXNGTM-LJQANCHMSA-N 1 0 318.420 3.839 10 0 DHAERO CC(C)[C@](CC[NH+](C)C)(CC(N)=O)c1cccc2ccccc21 ZINC000584620338 337372791 /nfs/dbraw/zinc/37/27/91/337372791.db2.gz BVPAPMZQUMBVDJ-FQEVSTJZSA-N 1 0 312.457 3.561 10 0 DHAERO O[C@@H]1CC2=C(C[C@@H]([NH+]3CCCCC3)C2)C[C@@H]1Oc1ccccc1 ZINC000584618611 337373233 /nfs/dbraw/zinc/37/32/33/337373233.db2.gz RDTJXAFWVDQGMX-SXLOBPIMSA-N 1 0 313.441 3.534 10 0 DHAERO C[C@H]([NH3+])c1cccc(-c2cncn2CCc2ccc(F)cc2)c1 ZINC000584595202 337373971 /nfs/dbraw/zinc/37/39/71/337373971.db2.gz PKAMDCFTEONSRH-AWEZNQCLSA-N 1 0 309.388 3.952 10 0 DHAERO CC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000584637139 337379394 /nfs/dbraw/zinc/37/93/94/337379394.db2.gz YGJDNTHRMJACHN-PMACEKPBSA-N 1 0 309.409 3.564 10 0 DHAERO CC(C)C[C@@]1(c2cccc(O[C@@H]3CCCCO3)c2)CC[NH2+]C1 ZINC000584650210 337380828 /nfs/dbraw/zinc/38/08/28/337380828.db2.gz PATGUNQKDRTKCQ-MOPGFXCFSA-N 1 0 303.446 3.869 10 0 DHAERO COc1ccc2cc(CN(CC[NH3+])Cc3ccccc3)ccc2c1 ZINC000310047562 337388408 /nfs/dbraw/zinc/38/84/08/337388408.db2.gz XNZYCCZJNZJZNA-UHFFFAOYSA-N 1 0 320.436 3.809 10 0 DHAERO CC(C)[C@H](C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@@H](C)[NH3+] ZINC000399508978 337392909 /nfs/dbraw/zinc/39/29/09/337392909.db2.gz KYUFFNAJAVSBMJ-BFVZDQMLSA-N 1 0 317.260 3.790 10 0 DHAERO CC(C)[C@@](C)(C[NH3+])NCc1ccc(Br)cc1Cl ZINC000336718836 337398494 /nfs/dbraw/zinc/39/84/94/337398494.db2.gz VLLRQGNIHXFNOT-CYBMUJFWSA-N 1 0 319.674 3.566 10 0 DHAERO Cc1cnn(CC[NH2+][C@H]2CCCOc3ccc(C(C)C)cc32)c1 ZINC000123868165 337401877 /nfs/dbraw/zinc/40/18/77/337401877.db2.gz RJWUSBORZRNGEX-SFHVURJKSA-N 1 0 313.445 3.818 10 0 DHAERO Brc1csc(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000070070236 337546227 /nfs/dbraw/zinc/54/62/27/337546227.db2.gz DROIRGNNTBRIBP-LBPRGKRZSA-N 1 0 310.216 3.734 10 0 DHAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000246573037 337553701 /nfs/dbraw/zinc/55/37/01/337553701.db2.gz YEKTXMOTZWZBPH-KLHDSHLOSA-N 1 0 304.482 3.521 10 0 DHAERO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000249249290 337570125 /nfs/dbraw/zinc/57/01/25/337570125.db2.gz FWKDWUVIEHPTPP-OIISXLGYSA-N 1 0 301.430 3.838 10 0 DHAERO C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261601751 337606351 /nfs/dbraw/zinc/60/63/51/337606351.db2.gz AHPJJORLBSAUBW-FZMZJTMJSA-N 1 0 322.403 3.552 10 0 DHAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1C[C@H]1C1CCCCC1 ZINC000261786263 337610449 /nfs/dbraw/zinc/61/04/49/337610449.db2.gz TVXGSEROCGBRFS-HOTGVXAUSA-N 1 0 316.420 3.626 10 0 DHAERO Cc1c(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])sc2cccc(F)c12 ZINC000261889869 337612071 /nfs/dbraw/zinc/61/20/71/337612071.db2.gz VDEMTFGTZHTQMN-ZYHUDNBSSA-N 1 0 320.433 3.548 10 0 DHAERO C[C@@H](Oc1ccccc1NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000262552686 337619165 /nfs/dbraw/zinc/61/91/65/337619165.db2.gz OXYKTDFUDYSJRO-LSDHHAIUSA-N 1 0 324.424 3.621 10 0 DHAERO C[C@H](NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1ccc2ccccc2c1 ZINC000262957297 337622652 /nfs/dbraw/zinc/62/26/52/337622652.db2.gz KHUGOGHBUBCQJS-ADLFWFRXSA-N 1 0 310.441 3.925 10 0 DHAERO CC(C)[C@@H](C)CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000263007637 337623105 /nfs/dbraw/zinc/62/31/05/337623105.db2.gz QUDUWSWEFKIWDV-JTQLQIEISA-N 1 0 302.340 3.785 10 0 DHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C[C@H](C)O1 ZINC000527702376 337757625 /nfs/dbraw/zinc/75/76/25/337757625.db2.gz FANJRMDYGHPNGO-JGPRNRPPSA-N 1 0 303.780 3.911 10 0 DHAERO CCN(CC)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000057634816 337862334 /nfs/dbraw/zinc/86/23/34/337862334.db2.gz UVMYBZNZCOTROV-UHFFFAOYSA-N 1 0 317.477 3.614 10 0 DHAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(F)cc1Br ZINC000152868190 338213353 /nfs/dbraw/zinc/21/33/53/338213353.db2.gz YHGACVAWAWSRGJ-BHDSKKPTSA-N 1 0 316.214 3.806 10 0 DHAERO C[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400445092 340146579 /nfs/dbraw/zinc/14/65/79/340146579.db2.gz NMIKKSAYGLMFTH-UTUOFQBUSA-N 1 0 324.387 3.562 10 0 DHAERO c1ccc(Oc2cccnc2)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000172800917 340342390 /nfs/dbraw/zinc/34/23/90/340342390.db2.gz VRPRFGCXCBPJIK-GOSISDBHSA-N 1 0 323.440 3.544 10 0 DHAERO C[C@H](CC[NH2+]Cc1ccc2[nH]ccc2c1)NC(=O)OC(C)(C)C ZINC000227669271 340601733 /nfs/dbraw/zinc/60/17/33/340601733.db2.gz QLLTUNGFPBNAFT-CYBMUJFWSA-N 1 0 317.433 3.561 10 0 DHAERO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cc(Cl)cc(Cl)c1 ZINC000069052501 340949077 /nfs/dbraw/zinc/94/90/77/340949077.db2.gz FNPMBWQRSYXNSV-UHFFFAOYSA-N 1 0 321.207 3.891 10 0 DHAERO CCO[C@@H](C)c1noc(CN[C@@H](C)c2ccc(Cl)s2)n1 ZINC000130331282 341017301 /nfs/dbraw/zinc/01/73/01/341017301.db2.gz KUHLHBNDDLNOAT-IUCAKERBSA-N 1 0 315.826 3.733 10 0 DHAERO CC(C)(C)OCC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134850815 341225199 /nfs/dbraw/zinc/22/51/99/341225199.db2.gz YXJODWCKEARVPG-INIZCTEOSA-N 1 0 307.409 3.678 10 0 DHAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000079905191 341267389 /nfs/dbraw/zinc/26/73/89/341267389.db2.gz GNGUXNOJTAEYFO-QZTJIDSGSA-N 1 0 305.462 3.780 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1Cl ZINC000245424510 341292972 /nfs/dbraw/zinc/29/29/72/341292972.db2.gz CQCAPYCVVHGMFX-KGLIPLIRSA-N 1 0 321.852 3.739 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000245509422 341298460 /nfs/dbraw/zinc/29/84/60/341298460.db2.gz KEVINZUPJCNVLL-HKUYNNGSSA-N 1 0 313.420 3.873 10 0 DHAERO C[C@H](C[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F)c1ccccc1 ZINC000246743804 341356582 /nfs/dbraw/zinc/35/65/82/341356582.db2.gz PQOGIPZUGWNQIM-NRXGSXMXSA-N 1 0 317.379 3.876 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(F)cc1OC(F)F ZINC000248166045 341374235 /nfs/dbraw/zinc/37/42/35/341374235.db2.gz SZHALCASRAJPHX-MJVIPROJSA-N 1 0 317.351 3.629 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccccc1Br ZINC000248202185 341374798 /nfs/dbraw/zinc/37/47/98/341374798.db2.gz ZBBXPUXLMJLIFX-HUBLWGQQSA-N 1 0 312.251 3.651 10 0 DHAERO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000248656025 341382980 /nfs/dbraw/zinc/38/29/80/341382980.db2.gz QYUVLFXJEGIXIZ-QUCCMNQESA-N 1 0 323.484 3.905 10 0 DHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000248785942 341386813 /nfs/dbraw/zinc/38/68/13/341386813.db2.gz YCFAXFBYOODPKM-MNEFBYGVSA-N 1 0 316.489 3.939 10 0 DHAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000248854283 341388671 /nfs/dbraw/zinc/38/86/71/341388671.db2.gz KUWQOBOBKYLMSP-CVEARBPZSA-N 1 0 311.853 3.653 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)Cc2ccccc2)C12CCOCC2 ZINC000248998537 341391612 /nfs/dbraw/zinc/39/16/12/341391612.db2.gz MPOFLHQRMFMLPC-GUDVDZBRSA-N 1 0 317.473 3.572 10 0 DHAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000153743185 341578211 /nfs/dbraw/zinc/57/82/11/341578211.db2.gz YWRDEDYFDCKCKC-GZBFAFLISA-N 1 0 313.388 3.798 10 0 DHAERO Cc1nccn1CC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000336834668 341767013 /nfs/dbraw/zinc/76/70/13/341767013.db2.gz IMVHGTLOIRGXQO-SECBINFHSA-N 1 0 316.207 3.988 10 0 DHAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000159035541 519792472 /nfs/dbraw/zinc/79/24/72/519792472.db2.gz GVJJZYAGLPSXEH-HUUCEWRRSA-N 1 0 301.434 3.694 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](c1ccccc1)C(C)C)CC2 ZINC000180515129 519897181 /nfs/dbraw/zinc/89/71/81/519897181.db2.gz PXVLQJNDFLWFDY-SJLPKXTDSA-N 1 0 312.461 3.703 10 0 DHAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000191101233 520864195 /nfs/dbraw/zinc/86/41/95/520864195.db2.gz OGMQFEJYQLNXAF-MPGHIAIKSA-N 1 0 321.486 3.733 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000106217646 522593071 /nfs/dbraw/zinc/59/30/71/522593071.db2.gz DLGAOBXVHWZANO-MRXNPFEDSA-N 1 0 303.837 3.936 10 0 DHAERO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)cc1F ZINC000156976217 524030157 /nfs/dbraw/zinc/03/01/57/524030157.db2.gz MIZPFXLUXXYDIR-AWEZNQCLSA-N 1 0 320.433 3.979 10 0 DHAERO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c(C)c1 ZINC000190473723 524470948 /nfs/dbraw/zinc/47/09/48/524470948.db2.gz LSKCFDOXGOTJDR-HXUWFJFHSA-N 1 0 323.484 3.652 10 0 DHAERO C[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc2ccccc2c1 ZINC000121499966 525497000 /nfs/dbraw/zinc/49/70/00/525497000.db2.gz REFKMMUHTHEMFI-KDOFPFPSSA-N 1 0 301.430 3.666 10 0 DHAERO C[C@@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCCO1 ZINC000161946729 525556743 /nfs/dbraw/zinc/55/67/43/525556743.db2.gz IFGGGTMXZFTNST-QMTHXVAHSA-N 1 0 324.396 3.745 10 0 DHAERO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000192749294 525601863 /nfs/dbraw/zinc/60/18/63/525601863.db2.gz IBVUUOOAWJPWBP-WWGRRREGSA-N 1 0 309.475 3.565 10 0 DHAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)o1 ZINC000158093574 525744468 /nfs/dbraw/zinc/74/44/68/525744468.db2.gz ZBDBSFHJMFQGPC-ZYHUDNBSSA-N 1 0 321.808 3.704 10 0 DHAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nnc(C(C)C)n3C1)CCC2 ZINC000180531173 526193446 /nfs/dbraw/zinc/19/34/46/526193446.db2.gz HJPJLRODPUAVOV-WMZOPIPTSA-N 1 0 324.472 3.692 10 0 DHAERO Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCCO2)oc1-c1ccc(Cl)cc1 ZINC000183110432 526889954 /nfs/dbraw/zinc/88/99/54/526889954.db2.gz FLLFRBBIOQQPQL-NHYWBVRUSA-N 1 0 320.820 3.961 10 0 DHAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cccc(-c3cccnc3)c2)cn1 ZINC000131869143 527300063 /nfs/dbraw/zinc/30/00/63/527300063.db2.gz RTVUYAVGNPKRJH-FQEVSTJZSA-N 1 0 318.424 3.819 10 0 DHAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C1 ZINC000237906178 527356132 /nfs/dbraw/zinc/35/61/32/527356132.db2.gz VOQGZWWVXPEASX-QWHCGFSZSA-N 1 0 320.408 3.603 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1nc2ccccc2o1 ZINC000181136758 527448736 /nfs/dbraw/zinc/44/87/36/527448736.db2.gz FYIFHEXDRBXUNL-DZGCQCFKSA-N 1 0 310.401 3.558 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000180132885 527450608 /nfs/dbraw/zinc/45/06/08/527450608.db2.gz HZRXTTPPRVZMIC-CQSZACIVSA-N 1 0 307.800 3.649 10 0 DHAERO COc1ccc(C[NH2+]Cc2cccc(Oc3ncccn3)c2)cc1 ZINC000013731663 563388085 /nfs/dbraw/zinc/38/80/85/563388085.db2.gz JVPURTWZOHIIEK-UHFFFAOYSA-N 1 0 321.380 3.567 10 0 DHAERO CCOc1c(Cl)cc(C[NH2+]CCCCCO)cc1Cl ZINC000013727333 563388322 /nfs/dbraw/zinc/38/83/22/563388322.db2.gz YLNUJUBQXSAJOE-UHFFFAOYSA-N 1 0 306.233 3.644 10 0 DHAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000724104162 563496563 /nfs/dbraw/zinc/49/65/63/563496563.db2.gz ZBNKOMVMBKYIMY-YVEFUNNKSA-N 1 0 322.474 3.556 10 0 DHAERO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000725242829 563525472 /nfs/dbraw/zinc/52/54/72/563525472.db2.gz WIGGZMBPPMPSKC-CXAGYDPISA-N 1 0 324.490 3.658 10 0 DHAERO c1ccc2[nH]c(SC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)nc2c1 ZINC000033435710 563724761 /nfs/dbraw/zinc/72/47/61/563724761.db2.gz AVHMUPJYYXTAQW-BBRMVZONSA-N 1 0 301.459 3.920 10 0 DHAERO Cc1ccc([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1F ZINC000675052493 563780651 /nfs/dbraw/zinc/78/06/51/563780651.db2.gz ASHKHVHUGQGJDY-UKRRQHHQSA-N 1 0 308.397 3.533 10 0 DHAERO Cc1ccccc1[C@]1(C)C[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675053139 563856482 /nfs/dbraw/zinc/85/64/82/563856482.db2.gz GLEXJAAQHVSCDO-KDOFPFPSSA-N 1 0 304.434 3.568 10 0 DHAERO c1[nH]nc2c1C[C@H]([NH2+][C@@H]1CC3(CCCC3)Oc3ccccc31)CC2 ZINC000090454393 1032399442 /nfs/dbraw/zinc/39/94/42/1032399442.db2.gz YNDBVTGTRPTKID-CRAIPNDOSA-N 1 0 323.440 3.693 10 0 DHAERO c1ncc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)s1 ZINC000093387097 1032535362 /nfs/dbraw/zinc/53/53/62/1032535362.db2.gz CZFJFFGBLLFULH-HNNXBMFYSA-N 1 0 324.453 3.913 10 0 DHAERO CCC[N@@H+](CC(=O)N1CCC[C@@H]1c1cccs1)CC1CC1 ZINC000052891032 1026422353 /nfs/dbraw/zinc/42/23/53/1026422353.db2.gz SJXOHFKIMLZHRO-OAHLLOKOSA-N 1 0 306.475 3.534 10 0 DHAERO c1cnn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc3ccccc3n2)c1 ZINC000072744848 1030580605 /nfs/dbraw/zinc/58/06/05/1030580605.db2.gz ANVPPIIPPSHKRC-RBUKOAKNSA-N 1 0 306.413 3.705 10 0 DHAERO COc1ccc([C@H]2C[C@H](C)N(Cc3nccn3C(F)F)C2)cc1 ZINC000076390371 1030789669 /nfs/dbraw/zinc/78/96/69/1030789669.db2.gz BRUTYWSNOPWNCJ-JSGCOSHPSA-N 1 0 321.371 3.665 10 0 DHAERO CCC[NH2+][C@@H](C)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000076784400 185041489 /nfs/dbraw/zinc/04/14/89/185041489.db2.gz GMYWESKOWLGAHC-NSHDSACASA-N 1 0 306.431 3.888 10 0 DHAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000090227190 185287696 /nfs/dbraw/zinc/28/76/96/185287696.db2.gz BWYWLRFXVRROOK-ROUUACIJSA-N 1 0 312.461 3.668 10 0 DHAERO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cccnc2)n(-c2ccccc2)n1 ZINC000090601687 185306143 /nfs/dbraw/zinc/30/61/43/185306143.db2.gz CEELLYPGPZHSNH-RDJZCZTQSA-N 1 0 320.440 3.858 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N(CCC)[C@H](C)c1cc2ccccc2o1 ZINC000236795280 202012944 /nfs/dbraw/zinc/01/29/44/202012944.db2.gz RFWROGXWZUVHFD-HIFRSBDPSA-N 1 0 302.418 3.860 10 0 DHAERO Clc1nc2c3ccccc3sc2c(N[C@@H]2CCC[NH2+]C2)n1 ZINC000073736350 191349108 /nfs/dbraw/zinc/34/91/08/191349108.db2.gz LKZQQUJTZKDOEG-SECBINFHSA-N 1 0 318.833 3.662 10 0 DHAERO CC(C)(C)[NH+]1CCC2(COC(c3ccc(Cl)cc3)=N2)CC1 ZINC000005284009 181226681 /nfs/dbraw/zinc/22/66/81/181226681.db2.gz LAECTBXKPJAFRD-UHFFFAOYSA-N 1 0 306.837 3.750 10 0 DHAERO CCC[C@H]([NH3+])C(=O)NCc1ccccc1Sc1ccccc1 ZINC000236884574 202051722 /nfs/dbraw/zinc/05/17/22/202051722.db2.gz OFPKBWMUNIFMDH-INIZCTEOSA-N 1 0 314.454 3.581 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC000236961148 202095222 /nfs/dbraw/zinc/09/52/22/202095222.db2.gz PYERQPVPOJVEFM-AWEZNQCLSA-N 1 0 314.433 3.607 10 0 DHAERO C[C@@H](NC(=O)c1coc(C[NH3+])c1)c1ccc(C(C)(C)C)cc1 ZINC000187359408 200100350 /nfs/dbraw/zinc/10/03/50/200100350.db2.gz AVKVEPDKXLPRGF-GFCCVEGCSA-N 1 0 300.402 3.527 10 0 DHAERO Cc1ccc2cc(C[NH2+][C@H](CN(C)C)c3ccccc3)ccc2n1 ZINC000187635880 200137876 /nfs/dbraw/zinc/13/78/76/200137876.db2.gz RMKUSSLNBOOAMC-OAQYLSRUSA-N 1 0 319.452 3.936 10 0 DHAERO CC[NH+](CC)CCCNCc1c(OC)ccc2ccccc21 ZINC000006205166 181318870 /nfs/dbraw/zinc/31/88/70/181318870.db2.gz RXCHVPFMIASACC-UHFFFAOYSA-N 1 0 300.446 3.670 10 0 DHAERO [NH3+][C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000091691239 193092906 /nfs/dbraw/zinc/09/29/06/193092906.db2.gz ADKBAMYNQIJAOF-RHSMWYFYSA-N 1 0 321.251 3.920 10 0 DHAERO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000012671667 181786788 /nfs/dbraw/zinc/78/67/88/181786788.db2.gz XNHSLMGDMPLCLL-VXGBXAGGSA-N 1 0 312.841 3.618 10 0 DHAERO CN(c1ccccc1)[C@@H](C[NH3+])c1ccccc1Br ZINC000019476103 182124211 /nfs/dbraw/zinc/12/42/11/182124211.db2.gz ZIVXVFAGGMXCHX-HNNXBMFYSA-N 1 0 305.219 3.585 10 0 DHAERO CN(c1ccccc1)[C@H](C[NH3+])c1ccccc1Br ZINC000019476105 182124684 /nfs/dbraw/zinc/12/46/84/182124684.db2.gz ZIVXVFAGGMXCHX-OAHLLOKOSA-N 1 0 305.219 3.585 10 0 DHAERO C[C@H]([NH3+])c1ccccc1Sc1nnc(C2CC2)n1C1CC1 ZINC000019873928 182158742 /nfs/dbraw/zinc/15/87/42/182158742.db2.gz FMRCXOMHHBRCEC-JTQLQIEISA-N 1 0 300.431 3.661 10 0 DHAERO CCOc1ccc([C@H]([NH3+])c2ccccc2Br)cc1 ZINC000019967409 182171242 /nfs/dbraw/zinc/17/12/42/182171242.db2.gz MWMRKVSLTQRBLN-HNNXBMFYSA-N 1 0 306.203 3.896 10 0 DHAERO CC[NH+](CC)CCCC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000019979716 182173262 /nfs/dbraw/zinc/17/32/62/182173262.db2.gz MRXJPBLCAAZXEF-UHFFFAOYSA-N 1 0 318.248 3.636 10 0 DHAERO COc1cccc([C@H]([NH3+])c2ccc(OC)c(Br)c2)c1 ZINC000020522139 182226681 /nfs/dbraw/zinc/22/66/81/182226681.db2.gz GHMYHULWIUNOIZ-HNNXBMFYSA-N 1 0 322.202 3.514 10 0 DHAERO Cc1c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c2ccccc2n1C ZINC000020877727 182251384 /nfs/dbraw/zinc/25/13/84/182251384.db2.gz FZSCKPGBDHOBJQ-QGZVFWFLSA-N 1 0 311.473 3.547 10 0 DHAERO COCC[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000020875848 182251684 /nfs/dbraw/zinc/25/16/84/182251684.db2.gz UQNJJIWQNMOQBX-UHFFFAOYSA-N 1 0 324.218 3.754 10 0 DHAERO OC(c1cccc(Cl)c1)(c1cccc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000021983428 182301420 /nfs/dbraw/zinc/30/14/20/182301420.db2.gz SBPHQJFBMFPILN-MRXNPFEDSA-N 1 0 322.235 3.981 10 0 DHAERO CC(C)CCC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000037984786 182954240 /nfs/dbraw/zinc/95/42/40/182954240.db2.gz ZWAHLRNGYJEWGU-LBPRGKRZSA-N 1 0 320.260 3.759 10 0 DHAERO CC(C)c1ccc(Nc2nc[nH+]c(NNC(C)(C)C)c2N)cc1 ZINC000040706260 183120956 /nfs/dbraw/zinc/12/09/56/183120956.db2.gz UBQPJERYJFXUEX-UHFFFAOYSA-N 1 0 314.437 3.641 10 0 DHAERO COc1ccc(Cl)cc1Cn1cc(C[NH3+])c2ccccc21 ZINC000041511589 183196140 /nfs/dbraw/zinc/19/61/40/183196140.db2.gz QJKVUIIKIFDWMD-UHFFFAOYSA-N 1 0 300.789 3.810 10 0 DHAERO CC(C)C[C@@](C)(C[NH3+])N(C)Cc1cc(Br)cs1 ZINC000042398614 183263914 /nfs/dbraw/zinc/26/39/14/183263914.db2.gz RERKXCAKEAAHKR-ZDUSSCGKSA-N 1 0 319.312 3.706 10 0 DHAERO C[NH2+]Cc1ccc(Br)cc1N(CC1CC1)C(C)C ZINC000042588953 183288745 /nfs/dbraw/zinc/28/87/45/183288745.db2.gz AJTPHUVNSHCASB-UHFFFAOYSA-N 1 0 311.267 3.793 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)CN1CCCC1)c1sccc1Br ZINC000042598355 183289407 /nfs/dbraw/zinc/28/94/07/183289407.db2.gz PWFUXCCVSTWRFQ-WDEREUQCSA-N 1 0 317.296 3.646 10 0 DHAERO C[C@H](CN1CCCC1)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000042598400 183289552 /nfs/dbraw/zinc/28/95/52/183289552.db2.gz QYUFEMXUEFUKPW-GHMZBOCLSA-N 1 0 317.296 3.646 10 0 DHAERO CC(C)N(CC(F)(F)F)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000042746278 183304844 /nfs/dbraw/zinc/30/48/44/183304844.db2.gz PCBLLKCMXXZZRQ-MRVPVSSYSA-N 1 0 300.777 3.674 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1nc(C)cc1C ZINC000042955888 183322713 /nfs/dbraw/zinc/32/27/13/183322713.db2.gz RTGHLEQLNVTWCS-LSDHHAIUSA-N 1 0 322.250 3.589 10 0 DHAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1)c1ccc(Br)cc1 ZINC000042956838 183322802 /nfs/dbraw/zinc/32/28/02/183322802.db2.gz ILVZYMRMQCINBL-XHDPSFHLSA-N 1 0 306.203 3.916 10 0 DHAERO COc1ccc([C@@H](C[NH3+])Oc2ccc(Br)cc2)cc1 ZINC000042962658 183324490 /nfs/dbraw/zinc/32/44/90/183324490.db2.gz QPWXHVWDYCNHGE-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCCCCC1 ZINC000043019862 183328653 /nfs/dbraw/zinc/32/86/53/183328653.db2.gz LOJZGANNOJOBFU-DOMZBBRYSA-N 1 0 311.267 3.713 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCCCCC1 ZINC000043019865 183328794 /nfs/dbraw/zinc/32/87/94/183328794.db2.gz LOJZGANNOJOBFU-IUODEOHRSA-N 1 0 311.267 3.713 10 0 DHAERO CC(C)c1nccn1[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043022137 183329529 /nfs/dbraw/zinc/32/95/29/183329529.db2.gz ZTPULVKIBRDLHO-RISCZKNCSA-N 1 0 322.250 3.706 10 0 DHAERO CC(C)C[C@@H](C)O[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043023138 183330336 /nfs/dbraw/zinc/33/03/36/183330336.db2.gz BMZUHROJDIWOEV-BXUZGUMPSA-N 1 0 300.240 3.900 10 0 DHAERO COc1cccc([C@@H](C[NH3+])Oc2ccccc2Br)c1 ZINC000043030250 183331249 /nfs/dbraw/zinc/33/12/49/183331249.db2.gz KEUVEDCXUDMYJV-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO [NH3+]C[C@H](Oc1ccccc1F)c1ccccc1Br ZINC000043094194 183337028 /nfs/dbraw/zinc/33/70/28/183337028.db2.gz XHSHURXYAPUIJY-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](OCC(C)C)c1ccccc1Br ZINC000043094622 183337344 /nfs/dbraw/zinc/33/73/44/183337344.db2.gz FBIVEEZNTSCZRO-KGLIPLIRSA-N 1 0 300.240 3.900 10 0 DHAERO C[C@H]([NH3+])[C@@H](Oc1ccc(Br)cc1)c1cccs1 ZINC000043108227 183338459 /nfs/dbraw/zinc/33/84/59/183338459.db2.gz ORNXKRNFFWOTJF-TVQRCGJNSA-N 1 0 312.232 3.978 10 0 DHAERO C[C@@H]([NH3+])[C@H](Oc1ccc(Br)cc1)c1cccs1 ZINC000043108223 183338517 /nfs/dbraw/zinc/33/85/17/183338517.db2.gz ORNXKRNFFWOTJF-RNCFNFMXSA-N 1 0 312.232 3.978 10 0 DHAERO CCCN(CC)[C@@H](c1ccccc1Br)[C@H]([NH3+])CC ZINC000043091286 183336051 /nfs/dbraw/zinc/33/60/51/183336051.db2.gz TXELHAHKQQIRMD-CABCVRRESA-N 1 0 313.283 3.959 10 0 DHAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)C1CCCC1 ZINC000043091262 183336180 /nfs/dbraw/zinc/33/61/80/183336180.db2.gz NWQPBUXFCIDTLM-XHDPSFHLSA-N 1 0 311.267 3.712 10 0 DHAERO [NH3+]C[C@@H](Oc1cccc(F)c1)c1ccccc1Br ZINC000043094421 183336455 /nfs/dbraw/zinc/33/64/55/183336455.db2.gz HYQXFICGRVJYSX-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO CC[C@@H](C)[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000043687291 183380393 /nfs/dbraw/zinc/38/03/93/183380393.db2.gz NUPXSXGXPLJGGI-SNVBAGLBSA-N 1 0 306.269 3.758 10 0 DHAERO CC(C)c1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104972839 194059942 /nfs/dbraw/zinc/05/99/42/194059942.db2.gz PBXHKYGPUPOZIC-OAHLLOKOSA-N 1 0 301.434 3.512 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000105897149 194161519 /nfs/dbraw/zinc/16/15/19/194161519.db2.gz VCSXLZMXCJWGPR-GOSISDBHSA-N 1 0 320.440 3.831 10 0 DHAERO COc1ccc(Br)cc1CC[C@H]([NH3+])C(C)(C)C ZINC000049596784 183745947 /nfs/dbraw/zinc/74/59/47/183745947.db2.gz WUNPZKZVJOFTDL-ZDUSSCGKSA-N 1 0 300.240 3.764 10 0 DHAERO [NH3+][C@@H](Cc1cccc(F)c1F)c1ccc(Br)cc1 ZINC000053789267 183912542 /nfs/dbraw/zinc/91/25/42/183912542.db2.gz RYNGCZYCOPROIG-ZDUSSCGKSA-N 1 0 312.157 3.970 10 0 DHAERO CC[NH2+][C@@H](Cc1ccc(Cl)s1)Cc1nc(C)cs1 ZINC000055268971 183975836 /nfs/dbraw/zinc/97/58/36/183975836.db2.gz BSGQZWXKPBSLMS-JTQLQIEISA-N 1 0 300.880 3.930 10 0 DHAERO [NH3+][C@H](Cc1ccc(Br)s1)Cc1ccccc1F ZINC000060696608 184154469 /nfs/dbraw/zinc/15/44/69/184154469.db2.gz CLROBBDQEQUIPT-JTQLQIEISA-N 1 0 314.223 3.762 10 0 DHAERO [NH3+][C@@H](Cc1cccc(F)c1F)c1ccccc1Br ZINC000060699948 184154731 /nfs/dbraw/zinc/15/47/31/184154731.db2.gz NCRFMUZHCIRGOB-ZDUSSCGKSA-N 1 0 312.157 3.970 10 0 DHAERO C[N@H+](CC[C@H](O)c1ccc(Br)cc1)CC1CCC1 ZINC000061485233 184171541 /nfs/dbraw/zinc/17/15/41/184171541.db2.gz JBAHSDHGOHBZKO-HNNXBMFYSA-N 1 0 312.251 3.605 10 0 DHAERO CC(C)[C@@H](CCOc1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000061686421 184182534 /nfs/dbraw/zinc/18/25/34/184182534.db2.gz GQJXNDSXWWXSBA-BXUZGUMPSA-N 1 0 300.240 3.837 10 0 DHAERO Cc1ccnc(Sc2ccc([C@H](C)[NH3+])cc2Br)n1 ZINC000061700430 184183795 /nfs/dbraw/zinc/18/37/95/184183795.db2.gz QBZUMJXGUXRDKO-VIFPVBQESA-N 1 0 324.247 3.718 10 0 DHAERO CCC[NH2+][C@H](C)c1ccc(-n2ccnc2)c(Br)c1 ZINC000061698312 184183822 /nfs/dbraw/zinc/18/38/22/184183822.db2.gz KQDPUAQZLZAWFS-LLVKDONJSA-N 1 0 308.223 3.695 10 0 DHAERO C[C@H](NCC[N@H+](C)C1CC1)c1c(Cl)ccc(F)c1Cl ZINC000061992703 184200545 /nfs/dbraw/zinc/20/05/45/184200545.db2.gz YZIOAYSDBGMWRZ-VIFPVBQESA-N 1 0 305.224 3.877 10 0 DHAERO CC[NH2+][C@H](c1ccc(Br)o1)c1ccc2c(c1)COC2 ZINC000062333259 184231140 /nfs/dbraw/zinc/23/11/40/184231140.db2.gz OHGILNSFNGCZMH-HNNXBMFYSA-N 1 0 322.202 3.771 10 0 DHAERO CC[C@H](C)COc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000062704004 184248793 /nfs/dbraw/zinc/24/87/93/184248793.db2.gz URXFCERPKBQJAF-QWRGUYRKSA-N 1 0 300.240 3.764 10 0 DHAERO C[NH2+][C@@H](C)Cc1ccc(-c2ccc(Br)cc2F)o1 ZINC000062770771 184253258 /nfs/dbraw/zinc/25/32/58/184253258.db2.gz OLVJOGPZSMWUSF-VIFPVBQESA-N 1 0 312.182 3.999 10 0 DHAERO C[NH+](C)[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000503716546 257209542 /nfs/dbraw/zinc/20/95/42/257209542.db2.gz GVWQHTDXXGHFEL-XUVXKRRUSA-N 1 0 310.416 3.658 10 0 DHAERO Clc1ncc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)s1 ZINC000275977686 257257421 /nfs/dbraw/zinc/25/74/21/257257421.db2.gz OAXUHEULLCUBAN-ZDUSSCGKSA-N 1 0 322.865 3.736 10 0 DHAERO C[C@@H]1CC(C[NH2+]Cc2csc(Br)c2)C[C@@H](C)O1 ZINC000282091571 130900663 /nfs/dbraw/zinc/90/06/63/130900663.db2.gz CNTJGNXFUQOVTD-NXEZZACHSA-N 1 0 318.280 3.804 10 0 DHAERO C[C@@H]1CC(C[NH2+]Cc2ccc(Br)s2)C[C@@H](C)O1 ZINC000282313515 130913758 /nfs/dbraw/zinc/91/37/58/130913758.db2.gz SNCJWVJAPZIJJR-NXEZZACHSA-N 1 0 318.280 3.804 10 0 DHAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000120463414 132141726 /nfs/dbraw/zinc/14/17/26/132141726.db2.gz WWNLJIZNRPBARP-WQVCFCJDSA-N 1 0 313.388 3.502 10 0 DHAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000089459416 331820614 /nfs/dbraw/zinc/82/06/14/331820614.db2.gz IRHFRRUXNGOGSG-YUSALJHKSA-N 1 0 315.244 3.546 10 0 DHAERO CC(C)Oc1cccc(C[NH2+][C@H](CN(C)C)c2ccccc2)c1 ZINC000129309330 332018350 /nfs/dbraw/zinc/01/83/50/332018350.db2.gz CRDWLTXHNYFMMH-HXUWFJFHSA-N 1 0 312.457 3.866 10 0 DHAERO CC1(CNc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]CC1 ZINC000129440475 332019140 /nfs/dbraw/zinc/01/91/40/332019140.db2.gz BMWSILCWPPUDKZ-UHFFFAOYSA-N 1 0 307.747 3.555 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC000129938281 332020940 /nfs/dbraw/zinc/02/09/40/332020940.db2.gz NCOFSAPJIHLLIG-AWEZNQCLSA-N 1 0 324.490 3.527 10 0 DHAERO Cc1cc(C[NH2+][C@H]2COc3ccccc32)ccc1Br ZINC000091470149 332070035 /nfs/dbraw/zinc/07/00/35/332070035.db2.gz ZTVFGLIGNJQPRQ-HNNXBMFYSA-N 1 0 318.214 3.981 10 0 DHAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCOCC(F)(F)F ZINC000132709039 332132435 /nfs/dbraw/zinc/13/24/35/332132435.db2.gz VASYWCPUBREQGT-CQSZACIVSA-N 1 0 301.352 3.869 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1ccccc1Sc1ccccc1 ZINC000040856007 332206987 /nfs/dbraw/zinc/20/69/87/332206987.db2.gz ZPRSPUKNNZDHQH-AWEZNQCLSA-N 1 0 300.427 3.904 10 0 DHAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000049529071 332315214 /nfs/dbraw/zinc/31/52/14/332315214.db2.gz GPSRFHNVDLQMKG-SWLSCSKDSA-N 1 0 323.483 3.954 10 0 DHAERO C[C@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)c1ccc(Cl)s1 ZINC000261787232 332320030 /nfs/dbraw/zinc/32/00/30/332320030.db2.gz QBSPWFMJRWBUPF-JQWIXIFHSA-N 1 0 314.882 3.876 10 0 DHAERO CCCOc1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)cc1Cl ZINC000261804408 332390071 /nfs/dbraw/zinc/39/00/71/332390071.db2.gz ZBFZEGXGRWRUCU-GFCCVEGCSA-N 1 0 310.825 3.600 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000153807996 332416390 /nfs/dbraw/zinc/41/63/90/332416390.db2.gz MLIMNUIARKGLJM-VNQPRFMTSA-N 1 0 313.388 3.880 10 0 DHAERO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000261639591 332483535 /nfs/dbraw/zinc/48/35/35/332483535.db2.gz CGNPDWFIXRUACY-CMPLNLGQSA-N 1 0 315.244 3.703 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)CC2 ZINC000171981332 333056894 /nfs/dbraw/zinc/05/68/94/333056894.db2.gz RXCKCRHSUNLHNW-SWLSCSKDSA-N 1 0 318.852 3.721 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)CC2 ZINC000171981328 333056926 /nfs/dbraw/zinc/05/69/26/333056926.db2.gz CMMSWGLJQCQJBH-DOMZBBRYSA-N 1 0 318.852 3.721 10 0 DHAERO CCSCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000390572984 333302809 /nfs/dbraw/zinc/30/28/09/333302809.db2.gz NSVLQCYLKLCUIR-CYBMUJFWSA-N 1 0 300.265 3.779 10 0 DHAERO CCn1nc(C[NH2+][C@H](C)COCc2ccccc2)c2ccccc21 ZINC000390642427 333310145 /nfs/dbraw/zinc/31/01/45/333310145.db2.gz LVBPQFDINVOAHB-MRXNPFEDSA-N 1 0 323.440 3.751 10 0 DHAERO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cccc(Br)c1 ZINC000390662863 333312498 /nfs/dbraw/zinc/31/24/98/333312498.db2.gz SRPMXQFEPQCUSI-OASPWFOLSA-N 1 0 300.265 3.994 10 0 DHAERO Brc1ccc(CN2CC[NH2+]Cc3ccccc32)cc1 ZINC000062818138 333337459 /nfs/dbraw/zinc/33/74/59/333337459.db2.gz NWDNYHJASVXYSE-UHFFFAOYSA-N 1 0 317.230 3.559 10 0 DHAERO CCN1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000040502775 333353556 /nfs/dbraw/zinc/35/35/56/333353556.db2.gz DATLFURVQFQCHG-ZDUSSCGKSA-N 1 0 318.795 3.515 10 0 DHAERO C[C@@H]([NH3+])[C@@H]1CCCCN1CCOc1c(Cl)cccc1Cl ZINC000063195681 333446482 /nfs/dbraw/zinc/44/64/82/333446482.db2.gz OYKVYUPIEAFBAT-RISCZKNCSA-N 1 0 317.260 3.574 10 0 DHAERO CC(C)(C)C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000261940201 333469593 /nfs/dbraw/zinc/46/95/93/333469593.db2.gz LARZEORHDSCRTJ-IKGGRYGDSA-N 1 0 302.462 3.798 10 0 DHAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)NC1CCCCC1 ZINC000049129482 334314937 /nfs/dbraw/zinc/31/49/37/334314937.db2.gz KSEVGVZHQDSHCE-QWRGUYRKSA-N 1 0 314.882 3.890 10 0 DHAERO CCOCC1CCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000125974332 334835665 /nfs/dbraw/zinc/83/56/65/334835665.db2.gz OSLGYBMLOTUTFZ-UHFFFAOYSA-N 1 0 302.393 3.935 10 0 DHAERO C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1cccs1 ZINC000043290631 336253468 /nfs/dbraw/zinc/25/34/68/336253468.db2.gz SMBYMJIRGJHYAE-HNNXBMFYSA-N 1 0 323.506 3.620 10 0 DHAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000192945445 336285676 /nfs/dbraw/zinc/28/56/76/336285676.db2.gz XARCYQHGUSWLTH-BPQIPLTHSA-N 1 0 308.510 3.684 10 0 DHAERO Fc1ccc(-c2csc(N3CC[N@@H+]4CCCC[C@H]4C3)n2)cc1 ZINC000301603307 336317889 /nfs/dbraw/zinc/31/78/89/336317889.db2.gz KXWPOTQRSVOSKD-HNNXBMFYSA-N 1 0 317.433 3.624 10 0 DHAERO CCS[C@@H]1CC[C@]1(O)CNc1cc(C)[nH+]c2ccc(F)cc12 ZINC000301653322 336320996 /nfs/dbraw/zinc/32/09/96/336320996.db2.gz HBENOAQATWGWJE-SJORKVTESA-N 1 0 320.433 3.741 10 0 DHAERO C[C@@H]1C[C@@H](CNc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000301884324 336336074 /nfs/dbraw/zinc/33/60/74/336336074.db2.gz NUKUWUVVKFEEON-WBVHZDCISA-N 1 0 320.440 3.885 10 0 DHAERO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccnc3c(F)cc(F)cc23)C1 ZINC000302542553 336361185 /nfs/dbraw/zinc/36/11/85/336361185.db2.gz TUGDPSLZOLNYAB-QWHCGFSZSA-N 1 0 305.372 3.798 10 0 DHAERO O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000120454641 336912261 /nfs/dbraw/zinc/91/22/61/336912261.db2.gz HSXDWLBRRMEWIU-MOPGFXCFSA-N 1 0 318.505 3.537 10 0 DHAERO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000123044552 337034564 /nfs/dbraw/zinc/03/45/64/337034564.db2.gz HHGXKWPXDCQVBJ-MOTZXUDYSA-N 1 0 311.429 3.550 10 0 DHAERO Cc1csc([C@H]2CCC[N@H+](C[C@](C)(O)c3ccccc3)C2)n1 ZINC000170778562 337082958 /nfs/dbraw/zinc/08/29/58/337082958.db2.gz OQCBUBPBZFNZMU-YJBOKZPZSA-N 1 0 316.470 3.539 10 0 DHAERO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)CCc3ccccc3)C2)no1 ZINC000171403003 337087166 /nfs/dbraw/zinc/08/71/66/337087166.db2.gz VVZNHNSRYZKJTK-MAUKXSAKSA-N 1 0 313.445 3.654 10 0 DHAERO c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000174848619 337144932 /nfs/dbraw/zinc/14/49/32/337144932.db2.gz RIQHKDAUZFETMC-MJGOQNOKSA-N 1 0 322.456 3.503 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2cc(F)ccc2s1 ZINC000176998287 337154191 /nfs/dbraw/zinc/15/41/91/337154191.db2.gz YDIZYSZPJMLSMN-CQSZACIVSA-N 1 0 320.433 3.597 10 0 DHAERO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000177418061 337155829 /nfs/dbraw/zinc/15/58/29/337155829.db2.gz PFAJCGXLCVYCEX-OALUTQOASA-N 1 0 318.505 3.726 10 0 DHAERO CCc1cccc(C)c1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000177497500 337156310 /nfs/dbraw/zinc/15/63/10/337156310.db2.gz YRTORMPLGAUCIQ-IRXDYDNUSA-N 1 0 315.461 3.648 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1cccc(O)c1 ZINC000177299344 337156779 /nfs/dbraw/zinc/15/67/79/337156779.db2.gz YQGZJGPKGCDOEG-CABCVRRESA-N 1 0 307.397 3.990 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000178285200 337162006 /nfs/dbraw/zinc/16/20/06/337162006.db2.gz OSHDZYMKNCQAMK-GOSISDBHSA-N 1 0 324.403 3.543 10 0 DHAERO Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC000178320191 337163859 /nfs/dbraw/zinc/16/38/59/337163859.db2.gz ZSSVZSOQXSDWAM-LSDHHAIUSA-N 1 0 310.397 3.853 10 0 DHAERO C[C@@H]([NH3+])CCNC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000178659106 337165909 /nfs/dbraw/zinc/16/59/09/337165909.db2.gz CUWBEDYRXGMWBF-SNVBAGLBSA-N 1 0 308.834 3.536 10 0 DHAERO CC[C@@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)C1CCCCC1 ZINC000180506277 337175976 /nfs/dbraw/zinc/17/59/76/337175976.db2.gz BUNLLDLNMKQVDL-JKSUJKDBSA-N 1 0 304.482 3.665 10 0 DHAERO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000180533082 337176109 /nfs/dbraw/zinc/17/61/09/337176109.db2.gz YFZJSGOWJBXTHQ-RDJZCZTQSA-N 1 0 312.461 3.684 10 0 DHAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c1C ZINC000180653127 337176973 /nfs/dbraw/zinc/17/69/73/337176973.db2.gz SCHXITCRILUXRI-HZPDHXFCSA-N 1 0 312.461 3.684 10 0 DHAERO CC[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(Br)cc1 ZINC000222704829 337180142 /nfs/dbraw/zinc/18/01/42/337180142.db2.gz QLZVQOYNPQFXGQ-HUUCEWRRSA-N 1 0 311.267 3.584 10 0 DHAERO CC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(Br)c1 ZINC000222702496 337180202 /nfs/dbraw/zinc/18/02/02/337180202.db2.gz MUJWBCQRIQUCAF-LSDHHAIUSA-N 1 0 311.267 3.584 10 0 DHAERO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000181937058 337185490 /nfs/dbraw/zinc/18/54/90/337185490.db2.gz NZBOCKMUNKRYTF-UONOGXRCSA-N 1 0 324.428 3.561 10 0 DHAERO C[C@H]([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)[C@@H]1CCCO1 ZINC000183104037 337190089 /nfs/dbraw/zinc/19/00/89/337190089.db2.gz OLUKRYOVBMVFQO-FZMZJTMJSA-N 1 0 306.793 3.652 10 0 DHAERO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000187042934 337261366 /nfs/dbraw/zinc/26/13/66/337261366.db2.gz KPSOYXPWZSLYTI-STQMWFEESA-N 1 0 322.815 3.544 10 0 DHAERO Cc1coc2ccc(NC(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)cc12 ZINC000187926464 337268782 /nfs/dbraw/zinc/26/87/82/337268782.db2.gz GNZYUTRNZDEZRJ-BLLLJJGKSA-N 1 0 315.417 3.591 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1csc(Cl)c1)CC2 ZINC000191357788 337296329 /nfs/dbraw/zinc/29/63/29/337296329.db2.gz UMKXNIQDFXJAQZ-ZYHUDNBSSA-N 1 0 324.881 3.782 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1csc(Cl)c1)CC2 ZINC000191357755 337296338 /nfs/dbraw/zinc/29/63/38/337296338.db2.gz UMKXNIQDFXJAQZ-CMPLNLGQSA-N 1 0 324.881 3.782 10 0 DHAERO C[C@@H]([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)[C@H]1CCCO1 ZINC000193126793 337308417 /nfs/dbraw/zinc/30/84/17/337308417.db2.gz UGPRTELDHNDQGN-BDJLRTHQSA-N 1 0 306.793 3.652 10 0 DHAERO C[C@H]([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)[C@H]1CCCO1 ZINC000193126779 337308474 /nfs/dbraw/zinc/30/84/74/337308474.db2.gz UGPRTELDHNDQGN-MEDUHNTESA-N 1 0 306.793 3.652 10 0 DHAERO CC[NH+](CC)CCOc1ccc(Nc2ncc(Cl)cn2)cc1 ZINC000584629498 337376549 /nfs/dbraw/zinc/37/65/49/337376549.db2.gz VZMLYIAVMFNQQD-UHFFFAOYSA-N 1 0 320.824 3.594 10 0 DHAERO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000122726205 337396955 /nfs/dbraw/zinc/39/69/55/337396955.db2.gz AYLWFMVPBHOVBU-SFHVURJKSA-N 1 0 313.445 3.773 10 0 DHAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000245928473 337498521 /nfs/dbraw/zinc/49/85/21/337498521.db2.gz TYVYEVRHXCJQIW-LVQVYYBASA-N 1 0 304.482 3.521 10 0 DHAERO Brc1cccc(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000070070284 337546212 /nfs/dbraw/zinc/54/62/12/337546212.db2.gz BMUJSVXHKDPODP-AWEZNQCLSA-N 1 0 304.187 3.672 10 0 DHAERO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247129501 337557969 /nfs/dbraw/zinc/55/79/69/337557969.db2.gz WODPBQFZOSCWCN-CEXWTWQISA-N 1 0 318.505 3.680 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2Cl)C12CCOCC2 ZINC000248996489 337569165 /nfs/dbraw/zinc/56/91/65/337569165.db2.gz MDCKHQKCHWJYSC-XOKHGSTOSA-N 1 0 323.864 3.965 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccc(F)cc2)C12CCOCC2 ZINC000249010331 337569273 /nfs/dbraw/zinc/56/92/73/337569273.db2.gz OOBKLJYGFNMJCF-FGTMMUONSA-N 1 0 321.436 3.841 10 0 DHAERO CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261616331 337607989 /nfs/dbraw/zinc/60/79/89/337607989.db2.gz AEYVRNSVYHTRHP-FRFSOERESA-N 1 0 320.502 3.739 10 0 DHAERO CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261712863 337609030 /nfs/dbraw/zinc/60/90/30/337609030.db2.gz JKGNENZNZQWVBC-FCGDIQPGSA-N 1 0 314.473 3.546 10 0 DHAERO CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261712867 337609035 /nfs/dbraw/zinc/60/90/35/337609035.db2.gz JKGNENZNZQWVBC-HCXYKTFWSA-N 1 0 314.473 3.546 10 0 DHAERO [NH3+]C1(c2noc(/C=C/c3cccc4cccnc34)n2)CCCC1 ZINC000261875758 337612051 /nfs/dbraw/zinc/61/20/51/337612051.db2.gz VTDGFLPMUFIBBJ-CMDGGOBGSA-N 1 0 306.369 3.516 10 0 DHAERO C[C@@H](C(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1)C1C[NH2+]C1 ZINC000262256993 337616205 /nfs/dbraw/zinc/61/62/05/337616205.db2.gz TYAHFCMIOLRAHX-IAGOWNOFSA-N 1 0 322.452 3.632 10 0 DHAERO CCCN(C(=O)[C@H](C)C1C[NH2+]C1)[C@@H](C)c1cc2ccccc2o1 ZINC000262528397 337618946 /nfs/dbraw/zinc/61/89/46/337618946.db2.gz LRJYQISTYDVVTL-KGLIPLIRSA-N 1 0 314.429 3.588 10 0 DHAERO O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000194285257 338061007 /nfs/dbraw/zinc/06/10/07/338061007.db2.gz AQKDSMMDRVYROJ-AWEZNQCLSA-N 1 0 312.438 3.776 10 0 DHAERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Br)[C@@H]1CCCO1 ZINC000149726830 338120227 /nfs/dbraw/zinc/12/02/27/338120227.db2.gz IXGIVWFLCTYYJC-RNCFNFMXSA-N 1 0 318.642 3.760 10 0 DHAERO CC1(C)C[C@@H]([NH2+]Cc2cccc3c2OCO3)c2ccccc2O1 ZINC000153083033 338216009 /nfs/dbraw/zinc/21/60/09/338216009.db2.gz RRIRTUAINGOFCI-OAHLLOKOSA-N 1 0 311.381 3.807 10 0 DHAERO C[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400445091 340146556 /nfs/dbraw/zinc/14/65/56/340146556.db2.gz NMIKKSAYGLMFTH-IJLUTSLNSA-N 1 0 324.387 3.562 10 0 DHAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000300414397 340225466 /nfs/dbraw/zinc/22/54/66/340225466.db2.gz LJWYEGDUTFCDLQ-XZJROXQQSA-N 1 0 324.262 3.577 10 0 DHAERO CC[C@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC[NH2+]1 ZINC000301720136 340259575 /nfs/dbraw/zinc/25/95/75/340259575.db2.gz URUDPLNTRGRCQP-HXUWFJFHSA-N 1 0 324.424 3.736 10 0 DHAERO CC(C)c1nn(C)cc1N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000304070292 340359442 /nfs/dbraw/zinc/35/94/42/340359442.db2.gz DFVINNQZESQMHA-DOTOQJQBSA-N 1 0 312.461 3.618 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc2ccccc21 ZINC000173330414 340362638 /nfs/dbraw/zinc/36/26/38/340362638.db2.gz ZFWRYYUWDBUQJX-IAGOWNOFSA-N 1 0 323.440 3.930 10 0 DHAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc2ccccc21 ZINC000173330429 340362658 /nfs/dbraw/zinc/36/26/58/340362658.db2.gz ZFWRYYUWDBUQJX-DLBZAZTESA-N 1 0 323.440 3.930 10 0 DHAERO CCc1nc2n(n1)C[C@@H]([NH2+]CC[C@H](C)CCC=C(C)C)CC2 ZINC000193291203 340575615 /nfs/dbraw/zinc/57/56/15/340575615.db2.gz OTDARNKUBMILPP-CVEARBPZSA-N 1 0 304.482 3.518 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000250394248 340613728 /nfs/dbraw/zinc/61/37/28/340613728.db2.gz YKDBTKSPEVXRFA-DOMZBBRYSA-N 1 0 300.368 3.840 10 0 DHAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000070743000 341008105 /nfs/dbraw/zinc/00/81/05/341008105.db2.gz GJEWOGJVTHWONS-QWRGUYRKSA-N 1 0 317.260 3.805 10 0 DHAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000130823691 341048041 /nfs/dbraw/zinc/04/80/41/341048041.db2.gz YHFNJDCDROJCJC-CPCISQLKSA-N 1 0 319.040 3.710 10 0 DHAERO C[N@H+](CCOc1ccccc1F)Cc1ccc2ccccc2n1 ZINC000072878882 341109939 /nfs/dbraw/zinc/10/99/39/341109939.db2.gz WTURIXWXOJSGFO-UHFFFAOYSA-N 1 0 310.372 3.885 10 0 DHAERO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000132219964 341118732 /nfs/dbraw/zinc/11/87/32/341118732.db2.gz GFYUMDPBSCQIAM-FUHWJXTLSA-N 1 0 318.436 3.584 10 0 DHAERO CCC[C@H](C(=O)Nc1cccc(-c2csc(C)n2)c1)[NH+](C)C ZINC000134224481 341210002 /nfs/dbraw/zinc/21/00/02/341210002.db2.gz VHCSKBJRJMDKPE-MRXNPFEDSA-N 1 0 317.458 3.787 10 0 DHAERO C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000134538586 341217532 /nfs/dbraw/zinc/21/75/32/341217532.db2.gz ZWVLPEKKTNJIEL-GHMZBOCLSA-N 1 0 315.244 3.560 10 0 DHAERO CCc1nnc(C[N@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)n1C ZINC000245459999 341295502 /nfs/dbraw/zinc/29/55/02/341295502.db2.gz DXTJJLPHEARZLT-QWHCGFSZSA-N 1 0 320.868 3.655 10 0 DHAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000245505653 341298119 /nfs/dbraw/zinc/29/81/19/341298119.db2.gz GFYUMDPBSCQIAM-AEFFLSMTSA-N 1 0 318.436 3.584 10 0 DHAERO C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246115584 341327326 /nfs/dbraw/zinc/32/73/26/341327326.db2.gz KDZBRETUHJIKNW-KGLIPLIRSA-N 1 0 317.383 3.855 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@H](C)c1ccccc1 ZINC000246257072 341338592 /nfs/dbraw/zinc/33/85/92/341338592.db2.gz KHFUVHZSUZFIKQ-UHOSZYNNSA-N 1 0 314.473 3.656 10 0 DHAERO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@H](C)C[C@H](C)O ZINC000246296627 341340586 /nfs/dbraw/zinc/34/05/86/341340586.db2.gz NRXSVQGGZRPOQO-FFSVYQOJSA-N 1 0 311.853 3.859 10 0 DHAERO C[C@H](c1ccc2ccccc2c1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246335227 341342624 /nfs/dbraw/zinc/34/26/24/341342624.db2.gz DWPKFFDOUULOCJ-LZJOCLMNSA-N 1 0 324.468 3.553 10 0 DHAERO CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@@H](C)C1)C(C)C ZINC000246570488 341353827 /nfs/dbraw/zinc/35/38/27/341353827.db2.gz XYLXTAZCSXZLBP-JYJNAYRXSA-N 1 0 310.507 3.534 10 0 DHAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)sc2Cl)C1 ZINC000247292958 341363143 /nfs/dbraw/zinc/36/31/43/341363143.db2.gz KXUXBEVMSVAHSI-PSASIEDQSA-N 1 0 321.273 3.513 10 0 DHAERO CC(C)c1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000247325654 341363505 /nfs/dbraw/zinc/36/35/05/341363505.db2.gz LVUOZEYQSWGDBT-YOEHRIQHSA-N 1 0 301.434 3.510 10 0 DHAERO CC(C)Sc1ccccc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247346215 341363853 /nfs/dbraw/zinc/36/38/53/341363853.db2.gz NUABABBSVCRRMM-GOEBONIOSA-N 1 0 320.502 3.646 10 0 DHAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc(F)cc1OC(F)F ZINC000248215783 341374811 /nfs/dbraw/zinc/37/48/11/341374811.db2.gz ZPPYGTKPVROIMI-MISXGVKJSA-N 1 0 317.351 3.629 10 0 DHAERO CC(C)CO[C@H](C)c1noc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1 ZINC000248444322 341377935 /nfs/dbraw/zinc/37/79/35/341377935.db2.gz WCCFMDYYKBXYTJ-FZKCQIBNSA-N 1 0 321.465 3.814 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(Br)cs2)C1 ZINC000248822759 341387684 /nfs/dbraw/zinc/38/76/84/341387684.db2.gz YDWSVOIHROEVBO-ZYHUDNBSSA-N 1 0 317.296 3.646 10 0 DHAERO Cc1nc(C[C@H]2CCC[N@@H+](CC[C@H](C)c3ccccc3)C2)no1 ZINC000248997114 341391593 /nfs/dbraw/zinc/39/15/93/341391593.db2.gz PIMJUPHOARZAMK-DOTOQJQBSA-N 1 0 313.445 3.826 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2C)C12CCOCC2 ZINC000249056429 341392760 /nfs/dbraw/zinc/39/27/60/341392760.db2.gz XSERCIVBLNLHSI-NZSAHSFTSA-N 1 0 317.473 3.928 10 0 DHAERO CCCC(=O)N[C@@H]1CCC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000249088055 341393418 /nfs/dbraw/zinc/39/34/18/341393418.db2.gz UDXMXSQTBCLQAS-FUHWJXTLSA-N 1 0 302.462 3.561 10 0 DHAERO C[C@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)[C@@H](C[NH3+])C1 ZINC000262498935 341523164 /nfs/dbraw/zinc/52/31/64/341523164.db2.gz LSNGQHHJBCYYFQ-SWLSCSKDSA-N 1 0 319.836 3.554 10 0 DHAERO CC(C)S(=O)(=O)CCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000181498678 519786619 /nfs/dbraw/zinc/78/66/19/519786619.db2.gz WPAYQCLJQILZJK-OAHLLOKOSA-N 1 0 319.470 3.704 10 0 DHAERO CCC[C@@H](C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1)[NH+](C)C ZINC000156190581 520597034 /nfs/dbraw/zinc/59/70/34/520597034.db2.gz KAOQSFAENQUPSU-INIZCTEOSA-N 1 0 315.417 3.627 10 0 DHAERO CCc1csc([C@H]2CCC[N@H+](Cc3cncc(C)c3)C2)n1 ZINC000189830983 522117689 /nfs/dbraw/zinc/11/76/89/522117689.db2.gz NUOUWABXQDTIPK-HNNXBMFYSA-N 1 0 301.459 3.789 10 0 DHAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000188131948 522514399 /nfs/dbraw/zinc/51/43/99/522514399.db2.gz XSKDJZNTKNBIKV-ABSDTBQOSA-N 1 0 324.472 3.775 10 0 DHAERO CCc1noc(C2CCC([NH2+][C@@H](C)c3ccc(C)o3)CC2)n1 ZINC000182519854 522879081 /nfs/dbraw/zinc/87/90/81/522879081.db2.gz GNKYUOJXMIDTQD-HSBZDZAISA-N 1 0 303.406 3.910 10 0 DHAERO CCn1cc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)cn1 ZINC000131227672 523386672 /nfs/dbraw/zinc/38/66/72/523386672.db2.gz LOHBGLUHAHNKMK-QGZVFWFLSA-N 1 0 311.429 3.829 10 0 DHAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000180522025 524027558 /nfs/dbraw/zinc/02/75/58/524027558.db2.gz MBTZSPXCXHZXKD-RHSMWYFYSA-N 1 0 312.461 3.630 10 0 DHAERO Cc1ccc(C[N@@H+]2CCCN(Cc3csc(C)n3)CC2)s1 ZINC000157250969 524446003 /nfs/dbraw/zinc/44/60/03/524446003.db2.gz KKHAQROCSHOFSB-UHFFFAOYSA-N 1 0 321.515 3.529 10 0 DHAERO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccc(C(C)(C)C)cc1 ZINC000237527460 525323461 /nfs/dbraw/zinc/32/34/61/525323461.db2.gz GDFIXXAYTNCQJC-CQSZACIVSA-N 1 0 310.441 3.934 10 0 DHAERO C[C@@H]([NH2+]CCCCCn1cccn1)c1cccc(-n2ccnc2)c1 ZINC000189905562 525432859 /nfs/dbraw/zinc/43/28/59/525432859.db2.gz IRXQCYWACKWYOV-QGZVFWFLSA-N 1 0 323.444 3.590 10 0 DHAERO C[C@@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)[C@@H]1CCCO1 ZINC000183104231 525509202 /nfs/dbraw/zinc/50/92/02/525509202.db2.gz IDQFIUDYUKWFJM-QAPCUYQASA-N 1 0 321.424 3.658 10 0 DHAERO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000192749324 525548562 /nfs/dbraw/zinc/54/85/62/525548562.db2.gz IBVUUOOAWJPWBP-DVOMOZLQSA-N 1 0 309.475 3.565 10 0 DHAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(-c2ccccc2)cc1 ZINC000180585695 525693229 /nfs/dbraw/zinc/69/32/29/525693229.db2.gz QGZIDMBLQYSBDD-BEFAXECRSA-N 1 0 318.424 3.611 10 0 DHAERO Cc1c([C@@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)cnn1C(C)C ZINC000191136235 525903325 /nfs/dbraw/zinc/90/33/25/525903325.db2.gz JFULKQHKDXVLCR-BEFAXECRSA-N 1 0 314.477 3.726 10 0 DHAERO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227803002 526052162 /nfs/dbraw/zinc/05/21/62/526052162.db2.gz QPMFCESGRVMVKT-CKYFFXLPSA-N 1 0 315.244 3.640 10 0 DHAERO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000181150397 526179768 /nfs/dbraw/zinc/17/97/68/526179768.db2.gz ARJZRLXDBRUJRL-HBUWYVDXSA-N 1 0 300.402 3.516 10 0 DHAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nnc(C(C)C)n3C1)CCC2 ZINC000180531137 526194157 /nfs/dbraw/zinc/19/41/57/526194157.db2.gz HJPJLRODPUAVOV-AEFFLSMTSA-N 1 0 324.472 3.692 10 0 DHAERO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156991079 526507442 /nfs/dbraw/zinc/50/74/42/526507442.db2.gz WODPBQFZOSCWCN-GBESFXJTSA-N 1 0 318.505 3.680 10 0 DHAERO OC[C@@H]1C[N@H+](CCSc2ccccc2)C[C@H]1c1ccsc1 ZINC000188153280 527594258 /nfs/dbraw/zinc/59/42/58/527594258.db2.gz RJFHVWPHOGKIKU-RDJZCZTQSA-N 1 0 319.495 3.548 10 0 DHAERO COc1ccc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)cc1F ZINC000120437382 536903692 /nfs/dbraw/zinc/90/36/92/536903692.db2.gz WRIQXZNJLONFCH-KSSFIOAISA-N 1 0 316.420 3.788 10 0 DHAERO Brc1cc([C@@H]2[NH2+]CCc3ccsc32)cs1 ZINC000712526134 563320926 /nfs/dbraw/zinc/32/09/26/563320926.db2.gz BTMQPDDOZACVMO-JTQLQIEISA-N 1 0 300.246 3.807 10 0 DHAERO CCCCOCCC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013720226 563387414 /nfs/dbraw/zinc/38/74/14/563387414.db2.gz OZFCTMQGVALVAJ-UHFFFAOYSA-N 1 0 315.417 3.565 10 0 DHAERO CCOc1ccc(C[NH2+]CCC(C)C)cc1Br ZINC000013724531 563388208 /nfs/dbraw/zinc/38/82/08/563388208.db2.gz QGOTUBYPMZIDAF-UHFFFAOYSA-N 1 0 300.240 3.984 10 0 DHAERO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2sccc21 ZINC000725242510 563525561 /nfs/dbraw/zinc/52/55/61/563525561.db2.gz ABPYAMNPFKKMRC-YOEHRIQHSA-N 1 0 324.490 3.658 10 0 DHAERO Cc1cccc([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1F ZINC000675054322 563861688 /nfs/dbraw/zinc/86/16/88/563861688.db2.gz MYNNDAILGSUXDC-TZMCWYRMSA-N 1 0 308.397 3.533 10 0 DHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccccc1Cl ZINC000675054710 563869413 /nfs/dbraw/zinc/86/94/13/563869413.db2.gz PBLGODCKCCYQRQ-RISCZKNCSA-N 1 0 310.825 3.739 10 0 DHAERO CCc1cccc([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675055823 563909922 /nfs/dbraw/zinc/90/99/22/563909922.db2.gz ZBTYPFOYMUIKQY-HOTGVXAUSA-N 1 0 304.434 3.648 10 0 DHAERO c1ccn(-c2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000226245284 568420613 /nfs/dbraw/zinc/42/06/13/568420613.db2.gz RWWOHSCOJUMJQN-UHFFFAOYSA-N 1 0 317.436 3.800 10 0 DHAERO CCCO[C@H]1CCC[N@H+](Cc2c(C)nc3sc(C)cn23)CC1 ZINC000093317537 1032529313 /nfs/dbraw/zinc/52/93/13/1032529313.db2.gz XPMSDNKQMPMRCK-HNNXBMFYSA-N 1 0 321.490 3.794 10 0 DHAERO Cn1cccc1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387333 1032536245 /nfs/dbraw/zinc/53/62/45/1032536245.db2.gz ZOPKIBJQNKTGGF-KRWDZBQOSA-N 1 0 320.440 3.795 10 0 DHAERO Cc1csc(C2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)n1 ZINC000075828883 1030692614 /nfs/dbraw/zinc/69/26/14/1030692614.db2.gz UMADHHCUOICFHB-GOSISDBHSA-N 1 0 316.470 3.539 10 0 DHAERO CC(C)[NH2+]Cc1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000082661940 185191340 /nfs/dbraw/zinc/19/13/40/185191340.db2.gz BAFQVBYMRSJMKR-UHFFFAOYSA-N 1 0 301.287 3.528 10 0 DHAERO Cn1nccc1C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000092810592 185342947 /nfs/dbraw/zinc/34/29/47/185342947.db2.gz JUBBYTQJTUFVAJ-UHFFFAOYSA-N 1 0 307.800 3.592 10 0 DHAERO C[C@@H]([NH3+])Cc1cccc(OCc2ccccc2Br)c1 ZINC000037726491 190665038 /nfs/dbraw/zinc/66/50/38/190665038.db2.gz NHKSBWKFFUYKOX-GFCCVEGCSA-N 1 0 320.230 3.918 10 0 DHAERO CCCCN(Cc1ccccc1Cl)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236736604 201986790 /nfs/dbraw/zinc/98/67/90/201986790.db2.gz YJTWMVYSZBWBBB-UKRRQHHQSA-N 1 0 308.853 3.596 10 0 DHAERO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000072535540 191188296 /nfs/dbraw/zinc/18/82/96/191188296.db2.gz WIVIGQDUIRNSCB-QWHCGFSZSA-N 1 0 318.367 3.951 10 0 DHAERO Nc1cccc(C[N@@H+]2CC[C@@H](Nc3cccc4cnccc43)C2)c1 ZINC000003942811 181057957 /nfs/dbraw/zinc/05/79/57/181057957.db2.gz KDILGLNJDNVPLP-GOSISDBHSA-N 1 0 318.424 3.503 10 0 DHAERO O[C@H](c1ccccn1)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000075558121 191490120 /nfs/dbraw/zinc/49/01/20/191490120.db2.gz FXQGPHXSRKHQMO-FQEVSTJZSA-N 1 0 321.424 3.509 10 0 DHAERO C[C@H]1OP2([NH2+]C3CCCCC3)(O[C@@H]1C)O[C@H](C)[C@H](C)O2 ZINC000005370056 181235458 /nfs/dbraw/zinc/23/54/58/181235458.db2.gz YTFCJLMJAANERZ-LPWJVIDDSA-N 1 0 305.355 3.685 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000236911177 202067228 /nfs/dbraw/zinc/06/72/28/202067228.db2.gz JFZZXLORRICHTM-IRXDYDNUSA-N 1 0 316.832 3.673 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000236925954 202075480 /nfs/dbraw/zinc/07/54/80/202075480.db2.gz JFZZXLORRICHTM-DLBZAZTESA-N 1 0 316.832 3.673 10 0 DHAERO CC(C)[C@@H]([C@H](c1ccccc1)c1ccccn1)[NH+]1CCOCC1 ZINC000015784039 182017171 /nfs/dbraw/zinc/01/71/71/182017171.db2.gz XBSWXNXFFUYYAO-UXHICEINSA-N 1 0 310.441 3.570 10 0 DHAERO CC(C)(C)[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000016473555 182045966 /nfs/dbraw/zinc/04/59/66/182045966.db2.gz KZWWWLRASGGGCO-UHFFFAOYSA-N 1 0 309.624 3.973 10 0 DHAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000019260786 182112127 /nfs/dbraw/zinc/11/21/27/182112127.db2.gz ZUZXANQCABHMFK-LBPRGKRZSA-N 1 0 309.207 3.568 10 0 DHAERO [NH3+]C[C@@H](Oc1cccc(Br)c1)c1ccc(F)cc1 ZINC000019671430 182134917 /nfs/dbraw/zinc/13/49/17/182134917.db2.gz RHWQBBPQKWXNCK-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO C[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000019777231 182147903 /nfs/dbraw/zinc/14/79/03/182147903.db2.gz HVRUBABIMCOCLK-UHFFFAOYSA-N 1 0 324.193 3.887 10 0 DHAERO [NH3+][C@@H](c1ccc(F)c(F)c1)c1cc(Br)ccc1F ZINC000019968493 182171399 /nfs/dbraw/zinc/17/13/99/182171399.db2.gz LLFBXDJLZUTZOW-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO [NH3+][C@H](c1ccc(F)cc1Br)c1cc(F)ccc1F ZINC000019969392 182171605 /nfs/dbraw/zinc/17/16/05/182171605.db2.gz ZSMKSRXKJQJDAW-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO COCCc1ccc([C@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000019970832 182171638 /nfs/dbraw/zinc/17/16/38/182171638.db2.gz PVNSLCXYOIVIQQ-INIZCTEOSA-N 1 0 320.230 3.686 10 0 DHAERO [NH3+][C@@H](c1ccc(F)cc1Br)c1cc(F)ccc1F ZINC000019969391 182171721 /nfs/dbraw/zinc/17/17/21/182171721.db2.gz ZSMKSRXKJQJDAW-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO COc1ccc(OC)c([C@@H]([NH3+])c2ccccc2Br)c1 ZINC000019967552 182171745 /nfs/dbraw/zinc/17/17/45/182171745.db2.gz MPGMWFKJTTZXJS-HNNXBMFYSA-N 1 0 322.202 3.514 10 0 DHAERO [NH3+]CCCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000019984771 182173793 /nfs/dbraw/zinc/17/37/93/182173793.db2.gz HVGDCTUYRLMCIG-UHFFFAOYSA-N 1 0 308.731 3.816 10 0 DHAERO [NH3+]C[C@@H](c1ccccc1Br)N1CCCCCCC1 ZINC000020265362 182201121 /nfs/dbraw/zinc/20/11/21/182201121.db2.gz HPVONFLUXRJJAT-HNNXBMFYSA-N 1 0 311.267 3.715 10 0 DHAERO Cc1sc2ncnc(NCC[NH3+])c2c1-c1ccc(Cl)cc1 ZINC000020321605 182206694 /nfs/dbraw/zinc/20/66/94/182206694.db2.gz NIODYBQIXHKDMK-UHFFFAOYSA-N 1 0 318.833 3.691 10 0 DHAERO [NH3+]Cc1cn(-c2ccc(F)cc2)nc1-c1cc2ccccc2o1 ZINC000020390842 182213431 /nfs/dbraw/zinc/21/34/31/182213431.db2.gz QPLIMZOJDOWXHG-UHFFFAOYSA-N 1 0 307.328 3.883 10 0 DHAERO CCCOc1ccc(C[NH2+]Cc2ccncc2)cc1OCC ZINC000020933501 182255421 /nfs/dbraw/zinc/25/54/21/182255421.db2.gz LMOASXHFPGCSFU-UHFFFAOYSA-N 1 0 300.402 3.559 10 0 DHAERO Fc1cccc(-c2n[nH]c3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC000023369552 182358374 /nfs/dbraw/zinc/35/83/74/182358374.db2.gz OWNSHRUIMQRVOU-UHFFFAOYSA-N 1 0 307.372 3.774 10 0 DHAERO CC[NH+]1CCC([C@H](C)Nc2cccc(Br)c2)CC1 ZINC000037209941 182872044 /nfs/dbraw/zinc/87/20/44/182872044.db2.gz SEHSRNKBUNCUQB-LBPRGKRZSA-N 1 0 311.267 3.981 10 0 DHAERO C[C@H](Nc1ccc(Br)cc1F)C1CC[NH+](C)CC1 ZINC000037209378 182872525 /nfs/dbraw/zinc/87/25/25/182872525.db2.gz WPPNKNBSMWLAQE-JTQLQIEISA-N 1 0 315.230 3.730 10 0 DHAERO CCC[C@H]([NH3+])c1nc(-c2ccc(Br)s2)c[nH]1 ZINC000038002340 182958799 /nfs/dbraw/zinc/95/87/99/182958799.db2.gz NHOCPSOWCXDZDP-ZETCQYMHSA-N 1 0 300.225 3.701 10 0 DHAERO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1ccccc1)CC2 ZINC000039386892 183018209 /nfs/dbraw/zinc/01/82/09/183018209.db2.gz NVUIKIQDZRMQBL-UHFFFAOYSA-N 1 0 315.438 3.526 10 0 DHAERO Cc1cc(C)cc(Oc2ncnc(Nc3cc[nH+]cc3)c2N)c1 ZINC000040681227 183117077 /nfs/dbraw/zinc/11/70/77/183117077.db2.gz HNSAAJHPUNBPPK-UHFFFAOYSA-N 1 0 307.357 3.607 10 0 DHAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2ccc(Cl)s2)s1 ZINC000042317441 183252958 /nfs/dbraw/zinc/25/29/58/183252958.db2.gz BAZCOLQAISOITH-LLVKDONJSA-N 1 0 300.880 3.903 10 0 DHAERO CC(C)C[C@@](C)(C[NH3+])N(C)Cc1csc(Br)c1 ZINC000042361221 183258399 /nfs/dbraw/zinc/25/83/99/183258399.db2.gz RMJTXSCWSIAYGT-ZDUSSCGKSA-N 1 0 319.312 3.706 10 0 DHAERO CC(C)[N@H+](CC1CC1)[C@@H](CN)c1cc(Br)cs1 ZINC000042580566 183287077 /nfs/dbraw/zinc/28/70/77/183287077.db2.gz VTZZNOBIPYELMD-LBPRGKRZSA-N 1 0 317.296 3.631 10 0 DHAERO CC[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(C)C ZINC000042585520 183287547 /nfs/dbraw/zinc/28/75/47/183287547.db2.gz RXTHHEUVNIELPH-LBPRGKRZSA-N 1 0 314.223 3.702 10 0 DHAERO CCCC[N@H+]([C@H](C)CC)[C@@H](CN)c1ccc(Br)o1 ZINC000042602922 183290797 /nfs/dbraw/zinc/29/07/97/183290797.db2.gz JTKDUDZIINBVOQ-NEPJUHHUSA-N 1 0 317.271 3.943 10 0 DHAERO CC(C)C[C@H](C)O[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957491 183322778 /nfs/dbraw/zinc/32/27/78/183322778.db2.gz NMPALDWMLFMENW-FZMZJTMJSA-N 1 0 300.240 3.900 10 0 DHAERO [NH3+]C[C@H](SCc1ccco1)c1ccc(Br)cc1 ZINC000042959302 183323642 /nfs/dbraw/zinc/32/36/42/183323642.db2.gz IECKWVBYYLTQIR-ZDUSSCGKSA-N 1 0 312.232 3.975 10 0 DHAERO Cc1ccc(O[C@@H](C[NH3+])c2cccc(F)c2)c(Br)c1 ZINC000042973935 183325281 /nfs/dbraw/zinc/32/52/81/183325281.db2.gz CJQKEBMAQCNUAM-HNNXBMFYSA-N 1 0 324.193 3.975 10 0 DHAERO CC[C@@H](N)[C@@H](c1cccc(Br)c1)[N@H+](CC)C(C)C ZINC000043020323 183328339 /nfs/dbraw/zinc/32/83/39/183328339.db2.gz BARSZRFBCOGEMA-HUUCEWRRSA-N 1 0 313.283 3.958 10 0 DHAERO CC[C@H](N)[C@H](c1cccc(Br)c1)[N@H+](C)CC(C)C ZINC000043020379 183329062 /nfs/dbraw/zinc/32/90/62/183329062.db2.gz MPOBURSQCXAMBL-GJZGRUSLSA-N 1 0 313.283 3.815 10 0 DHAERO C[C@@H](N)[C@H](c1cccc(Br)c1)[N@H+](C)[C@@H](C)C1CC1 ZINC000043020626 183329641 /nfs/dbraw/zinc/32/96/41/183329641.db2.gz MLXMDUFGQQEVCS-JRPNMDOOSA-N 1 0 311.267 3.568 10 0 DHAERO CC(C)CCCO[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043023526 183330487 /nfs/dbraw/zinc/33/04/87/183330487.db2.gz VGCPXRITXLLQEV-AWEZNQCLSA-N 1 0 300.240 3.902 10 0 DHAERO COc1ccccc1O[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043022700 183330853 /nfs/dbraw/zinc/33/08/53/183330853.db2.gz ZCBWQBHJEHXFLC-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO Cc1ccccc1O[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043022612 183330868 /nfs/dbraw/zinc/33/08/68/183330868.db2.gz XHWQFAWTTWBMMY-OAHLLOKOSA-N 1 0 306.203 3.836 10 0 DHAERO COc1cccc([C@H](C[NH3+])Oc2ccc(Br)cc2)c1 ZINC000043029368 183331326 /nfs/dbraw/zinc/33/13/26/183331326.db2.gz ONMIRVPXUAQAAS-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO Brc1ccccc1C1CC([NH2+]C[C@H]2CCCCO2)C1 ZINC000042815456 183311829 /nfs/dbraw/zinc/31/18/29/183311829.db2.gz GCBFHNQBNDSLFA-JXQTWKCFSA-N 1 0 324.262 3.854 10 0 DHAERO [NH3+]C[C@@H](Oc1ccc(F)cc1)c1ccccc1Br ZINC000043094321 183336596 /nfs/dbraw/zinc/33/65/96/183336596.db2.gz RDMMECIIMRDOLZ-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO C[C@@H]([NH3+])[C@@H](OCc1ccco1)c1ccccc1Br ZINC000043094012 183336836 /nfs/dbraw/zinc/33/68/36/183336836.db2.gz IOKAYKJTYNTVEL-QMTHXVAHSA-N 1 0 310.191 3.647 10 0 DHAERO Cc1cccc(O[C@@H](C[NH3+])c2ccccc2Br)c1 ZINC000043094283 183336949 /nfs/dbraw/zinc/33/69/49/183336949.db2.gz VLXJYJUCZNATTC-HNNXBMFYSA-N 1 0 306.203 3.836 10 0 DHAERO Cc1ccc(O[C@@H](C[NH3+])c2cccs2)c(Br)c1 ZINC000043110339 183338243 /nfs/dbraw/zinc/33/82/43/183338243.db2.gz FZJLZCUAGQHVSZ-LBPRGKRZSA-N 1 0 312.232 3.898 10 0 DHAERO CCCN(CCC)[C@@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043090615 183335881 /nfs/dbraw/zinc/33/58/81/183335881.db2.gz KWFQZZOCBBMPRK-SWLSCSKDSA-N 1 0 313.283 3.959 10 0 DHAERO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171438 194188635 /nfs/dbraw/zinc/18/86/35/194188635.db2.gz DKXFMWYBMOQLNK-STQMWFEESA-N 1 0 322.815 3.544 10 0 DHAERO CC[C@H]([NH3+])[C@@H](n1nc(C)c(Br)c1C)C(C)(C)C ZINC000050588942 183789601 /nfs/dbraw/zinc/78/96/01/183789601.db2.gz FLIQJKZFICTQJK-CMPLNLGQSA-N 1 0 302.260 3.587 10 0 DHAERO [NH3+][C@H](Cc1cccs1)Cc1ccc(F)c(Br)c1 ZINC000052900444 183879803 /nfs/dbraw/zinc/87/98/03/183879803.db2.gz BWAJPNVUNSWVEA-JTQLQIEISA-N 1 0 314.223 3.762 10 0 DHAERO [NH3+][C@]1(Cc2cc(Br)cs2)CCc2ccccc2C1 ZINC000053759184 183911993 /nfs/dbraw/zinc/91/19/93/183911993.db2.gz SNRIYKBASHQKAW-OAHLLOKOSA-N 1 0 322.271 3.940 10 0 DHAERO [NH3+]C[C@H](Nc1ccccc1F)c1ccc(Br)cc1 ZINC000057653638 184044003 /nfs/dbraw/zinc/04/40/03/184044003.db2.gz IMLHXUFLNYJHHI-AWEZNQCLSA-N 1 0 309.182 3.700 10 0 DHAERO Cc1ccccc1C[C@@H]([NH3+])Cc1ccc(Br)s1 ZINC000060699575 184154579 /nfs/dbraw/zinc/15/45/79/184154579.db2.gz AAHSGZPIZCSHSZ-GFCCVEGCSA-N 1 0 310.260 3.932 10 0 DHAERO CC(C)c1ccn(-c2ccc([C@H](C)[NH3+])cc2Br)n1 ZINC000061698594 184183750 /nfs/dbraw/zinc/18/37/50/184183750.db2.gz GHKOCZSYMMAZQG-JTQLQIEISA-N 1 0 308.223 3.778 10 0 DHAERO C[NH2+][C@@H](C)c1ccc(-n2cnc(C)c2C)c(Br)c1 ZINC000061698542 184183757 /nfs/dbraw/zinc/18/37/57/184183757.db2.gz MLWRLRSLOAAOPR-JTQLQIEISA-N 1 0 308.223 3.532 10 0 DHAERO CC1(C)CCN([C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000061818435 184188354 /nfs/dbraw/zinc/18/83/54/184188354.db2.gz WCKDZBJFFQMIGW-AWEZNQCLSA-N 1 0 311.267 3.571 10 0 DHAERO Cc1cnn(-c2cc(Br)ccc2C[NH2+]C(C)(C)C)c1 ZINC000062738643 184252037 /nfs/dbraw/zinc/25/20/37/184252037.db2.gz ILFQZEPVFKOYJO-UHFFFAOYSA-N 1 0 322.250 3.831 10 0 DHAERO C[C@H](Cc1ccccc1)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000062702893 184247998 /nfs/dbraw/zinc/24/79/98/184247998.db2.gz JNZOFWJOQPSAGQ-GFCCVEGCSA-N 1 0 320.230 3.876 10 0 DHAERO Cc1ccc(C(N)=[NH2+])c(Oc2ccc(Br)cc2C)n1 ZINC000063062063 184268630 /nfs/dbraw/zinc/26/86/30/184268630.db2.gz IERFIJMWPHSHRL-UHFFFAOYSA-N 1 0 320.190 3.537 10 0 DHAERO O[C@@H](C[NH2+]CCC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000063100348 184270671 /nfs/dbraw/zinc/27/06/71/184270671.db2.gz CCJILZDERKRUSL-JTQLQIEISA-N 1 0 302.123 3.569 10 0 DHAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000120436820 195166393 /nfs/dbraw/zinc/16/63/93/195166393.db2.gz WITAWUZQEZWDNE-NHCUHLMSSA-N 1 0 324.468 3.965 10 0 DHAERO CO[C@H]1CC[N@H+](Cc2csc(C)n2)C[C@H]1Cc1ccccc1 ZINC000247983370 257113155 /nfs/dbraw/zinc/11/31/55/257113155.db2.gz YDMZLZHPINGFBY-AEFFLSMTSA-N 1 0 316.470 3.531 10 0 DHAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274920175 130273215 /nfs/dbraw/zinc/27/32/15/130273215.db2.gz OYTKNZITOYSGNH-KBPBESRZSA-N 1 0 304.821 3.991 10 0 DHAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000120428466 132142233 /nfs/dbraw/zinc/14/22/33/132142233.db2.gz BOSUYKPELBRRED-SCLBCKFNSA-N 1 0 304.384 3.918 10 0 DHAERO COc1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)cc1F ZINC000120437552 132142282 /nfs/dbraw/zinc/14/22/82/132142282.db2.gz WRIQXZNJLONFCH-KDOFPFPSSA-N 1 0 316.420 3.788 10 0 DHAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C[NH3+])cc1 ZINC000037816068 331587428 /nfs/dbraw/zinc/58/74/28/331587428.db2.gz GGSLFVKILLMISM-UHFFFAOYSA-N 1 0 323.223 3.724 10 0 DHAERO Cc1cccc(Oc2ccccc2NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000261952360 331704792 /nfs/dbraw/zinc/70/47/92/331704792.db2.gz WMWULTGWCOIOEM-CQSZACIVSA-N 1 0 310.397 3.581 10 0 DHAERO COc1ccc([C@H]([NH2+]C[C@H]2CSCCS2)C2CC2)cc1 ZINC000091368917 331918624 /nfs/dbraw/zinc/91/86/24/331918624.db2.gz LUTCXSBCSNDTOO-JKSUJKDBSA-N 1 0 309.500 3.585 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000040502894 331940814 /nfs/dbraw/zinc/94/08/14/331940814.db2.gz XFWXPDYBTYOGIB-UKRRQHHQSA-N 1 0 310.894 3.951 10 0 DHAERO C[C@@H](C(=O)Nc1ccc(Cl)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000130204677 332023392 /nfs/dbraw/zinc/02/33/92/332023392.db2.gz MNDNMTQNBFHZNJ-BMIGLBTASA-N 1 0 306.768 3.754 10 0 DHAERO C[C@H](C(=O)Nc1ccc(Cl)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000130204865 332023440 /nfs/dbraw/zinc/02/34/40/332023440.db2.gz MNDNMTQNBFHZNJ-ZUZCIYMTSA-N 1 0 306.768 3.754 10 0 DHAERO Cc1cc(C[NH2+][C@@H]2COc3ccccc32)ccc1Br ZINC000091470148 332070101 /nfs/dbraw/zinc/07/01/01/332070101.db2.gz ZTVFGLIGNJQPRQ-OAHLLOKOSA-N 1 0 318.214 3.981 10 0 DHAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000132708870 332132481 /nfs/dbraw/zinc/13/24/81/332132481.db2.gz VASYWCPUBREQGT-AWEZNQCLSA-N 1 0 301.352 3.869 10 0 DHAERO CSC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000187742659 332146729 /nfs/dbraw/zinc/14/67/29/332146729.db2.gz QUMJMOKKNRADJA-KDOFPFPSSA-N 1 0 301.455 3.728 10 0 DHAERO C[C@H](NC(=O)[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000040807450 332171923 /nfs/dbraw/zinc/17/19/23/332171923.db2.gz LOZXVHWKDIQKKE-BONVTDFDSA-N 1 0 323.223 3.871 10 0 DHAERO C[C@H]([NH2+]CCn1ccnc1)c1c(Cl)ccc(F)c1Cl ZINC000041119098 332214376 /nfs/dbraw/zinc/21/43/76/332214376.db2.gz LVTLOMIGJWHOMS-VIFPVBQESA-N 1 0 302.180 3.680 10 0 DHAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1Sc1ccccc1 ZINC000261809014 332396775 /nfs/dbraw/zinc/39/67/75/332396775.db2.gz WQQNVCLGWXYNAZ-UKRRQHHQSA-N 1 0 312.438 3.632 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cc(Br)cs1 ZINC000300298663 332398951 /nfs/dbraw/zinc/39/89/51/332398951.db2.gz LQMMVUHFURJEHW-MVWJERBFSA-N 1 0 318.280 3.855 10 0 DHAERO O[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000300528293 332434095 /nfs/dbraw/zinc/43/40/95/332434095.db2.gz KEBQEPIOANSWSL-ARFHVFGLSA-N 1 0 324.262 3.720 10 0 DHAERO C[C@H]([NH2+]CCOc1cc(Cl)cc(Cl)c1)[C@H]1CCCO1 ZINC000053588902 332983640 /nfs/dbraw/zinc/98/36/40/332983640.db2.gz HKYPLMXGKQEQQZ-IINYFYTJSA-N 1 0 304.217 3.529 10 0 DHAERO COc1ccc(F)cc1C[NH2+][C@@H](C)COCc1ccccc1 ZINC000390576242 333303126 /nfs/dbraw/zinc/30/31/26/333303126.db2.gz WCYACCBEVPWBSS-AWEZNQCLSA-N 1 0 303.377 3.529 10 0 DHAERO Cc1ccc([C@H]([NH2+][C@H](C)C[S@](C)=O)c2ccccc2)c(C)c1 ZINC000184314623 333355333 /nfs/dbraw/zinc/35/53/33/333355333.db2.gz OJMGSELRIJOMJA-PERKRYKHSA-N 1 0 315.482 3.749 10 0 DHAERO CC(C)(C)[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261947610 333523667 /nfs/dbraw/zinc/52/36/67/333523667.db2.gz MNELRZUDJIURKT-VNQPRFMTSA-N 1 0 306.425 3.547 10 0 DHAERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000186476833 335158200 /nfs/dbraw/zinc/15/82/00/335158200.db2.gz IVTWRIOVHLQJQK-SFHVURJKSA-N 1 0 308.425 3.589 10 0 DHAERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cncc(C)c2)cc1OC ZINC000184305878 334009837 /nfs/dbraw/zinc/00/98/37/334009837.db2.gz ONMJSUNUCXIOPN-KBPBESRZSA-N 1 0 300.402 3.819 10 0 DHAERO C[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000101586627 334333355 /nfs/dbraw/zinc/33/33/55/334333355.db2.gz CCTQPCDREMMULM-NSHDSACASA-N 1 0 322.330 3.783 10 0 DHAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000157833550 338461005 /nfs/dbraw/zinc/46/10/05/338461005.db2.gz FDLSOOWKBJAMNY-CVEARBPZSA-N 1 0 311.441 3.679 10 0 DHAERO CC1(C)CCCC[C@H]1c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000329635718 336021023 /nfs/dbraw/zinc/02/10/23/336021023.db2.gz XZLOAIJQOYCRBK-QLFBSQMISA-N 1 0 319.449 3.679 10 0 DHAERO COC(=O)C1CCC([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000192440145 336032414 /nfs/dbraw/zinc/03/24/14/336032414.db2.gz AFEXWBRAVUJYKN-ZBOXLXRLSA-N 1 0 313.800 3.862 10 0 DHAERO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cc(Br)ccc1F ZINC000324303402 336130612 /nfs/dbraw/zinc/13/06/12/336130612.db2.gz WQRVINOGUONQMA-NOZJJQNGSA-N 1 0 318.230 3.646 10 0 DHAERO Cc1cncc(-c2nc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)no2)c1 ZINC000333560364 336205529 /nfs/dbraw/zinc/20/55/29/336205529.db2.gz NZTWNJJKTCXODM-GOEBONIOSA-N 1 0 312.417 3.595 10 0 DHAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1Cl ZINC000042267447 336238230 /nfs/dbraw/zinc/23/82/30/336238230.db2.gz CTFRMULCJHGANO-ZDUSSCGKSA-N 1 0 302.805 3.938 10 0 DHAERO Cc1ccc([C@H]([NH2+]CC(=O)NC(C)C)c2ccccc2)c(C)c1 ZINC000192864322 336275567 /nfs/dbraw/zinc/27/55/67/336275567.db2.gz XOAKZYIGWPVDEO-HXUWFJFHSA-N 1 0 310.441 3.507 10 0 DHAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000192941181 336285432 /nfs/dbraw/zinc/28/54/32/336285432.db2.gz MERZOUFKHJQZNH-KXBFYZLASA-N 1 0 310.441 3.575 10 0 DHAERO CCS[C@H]1CC[C@@]1(O)CNc1cc[nH+]c2c(C)cccc12 ZINC000301637286 336319715 /nfs/dbraw/zinc/31/97/15/336319715.db2.gz AJEPTLSXUASZHI-DOTOQJQBSA-N 1 0 302.443 3.602 10 0 DHAERO CCS[C@@H]1CC[C@@]1(O)CNc1cc[nH+]c2c(C)cccc12 ZINC000301637287 336319749 /nfs/dbraw/zinc/31/97/49/336319749.db2.gz AJEPTLSXUASZHI-NVXWUHKLSA-N 1 0 302.443 3.602 10 0 DHAERO CSC1(CNc2cc[nH+]c3c(C)cccc23)CCOCC1 ZINC000301648044 336320668 /nfs/dbraw/zinc/32/06/68/336320668.db2.gz DUOJFDORMSITAG-UHFFFAOYSA-N 1 0 302.443 3.867 10 0 DHAERO Cc1ccc([C@@](C)(O)CNc2cc(C)nc3c(F)cccc23)o1 ZINC000301696892 336324201 /nfs/dbraw/zinc/32/42/01/336324201.db2.gz ZJSZCSMVTHVSND-SFHVURJKSA-N 1 0 314.360 3.903 10 0 DHAERO Cc1cnn(CCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC000301792783 336330192 /nfs/dbraw/zinc/33/01/92/336330192.db2.gz OHBANJDOSAOLIQ-UHFFFAOYSA-N 1 0 320.318 3.871 10 0 DHAERO C[NH+](C)[C@H]1CCC[C@H](Nc2ccnc3c(F)cc(F)cc23)C1 ZINC000302542554 336361222 /nfs/dbraw/zinc/36/12/22/336361222.db2.gz TUGDPSLZOLNYAB-STQMWFEESA-N 1 0 305.372 3.798 10 0 DHAERO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1C[C@H]1C ZINC000105437792 336387560 /nfs/dbraw/zinc/38/75/60/336387560.db2.gz RIRVTVQNYBNAKC-DIFFPNOSSA-N 1 0 303.837 3.700 10 0 DHAERO CC(C)COc1ccc([C@@H](C)[NH2+]CCO[C@H]2CCCCO2)cc1 ZINC000193091597 336396733 /nfs/dbraw/zinc/39/67/33/336396733.db2.gz HCQUWNDIWIMRBX-APWZRJJASA-N 1 0 321.461 3.915 10 0 DHAERO CCn1cnnc1C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000119236141 336883309 /nfs/dbraw/zinc/88/33/09/336883309.db2.gz LUEMROQXAYTANR-UHFFFAOYSA-N 1 0 304.482 3.694 10 0 DHAERO CC1(C)SC[C@@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000393840433 337093980 /nfs/dbraw/zinc/09/39/80/337093980.db2.gz SGEFJEGQSHZBQT-STQMWFEESA-N 1 0 312.276 3.920 10 0 DHAERO Cc1csc([C@@H]2CCC[N@H+](CCc3scnc3C)C2)n1 ZINC000172531744 337129908 /nfs/dbraw/zinc/12/99/08/337129908.db2.gz DEHHJIUIJGYVKM-CYBMUJFWSA-N 1 0 307.488 3.639 10 0 DHAERO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2o1)c1ccccc1 ZINC000174378912 337141224 /nfs/dbraw/zinc/14/12/24/337141224.db2.gz JGEFJEZXXXYJJM-WMZOPIPTSA-N 1 0 322.408 3.916 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCCc3ccccc31)CC2 ZINC000174850460 337144890 /nfs/dbraw/zinc/14/48/90/337144890.db2.gz AUCVCGDNKORKFO-SJLPKXTDSA-N 1 0 324.472 3.774 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(C(F)F)c1 ZINC000176336406 337150858 /nfs/dbraw/zinc/15/08/58/337150858.db2.gz RJGWCMCFPIJTAE-AWEZNQCLSA-N 1 0 311.376 3.572 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1Cl ZINC000176975961 337153947 /nfs/dbraw/zinc/15/39/47/337153947.db2.gz XDMRYKBQUTWCPI-LBPRGKRZSA-N 1 0 315.244 3.550 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000178034476 337159857 /nfs/dbraw/zinc/15/98/57/337159857.db2.gz KHHURBQCKPELKW-DLBZAZTESA-N 1 0 316.832 3.673 10 0 DHAERO C[C@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)O1 ZINC000178173901 337161201 /nfs/dbraw/zinc/16/12/01/337161201.db2.gz IMUBVVBSDHJPQF-MAUKXSAKSA-N 1 0 316.445 3.569 10 0 DHAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC(C)C)c1cccs1)CC2 ZINC000180616285 337176665 /nfs/dbraw/zinc/17/66/65/337176665.db2.gz CNHIVGSFAIDBOR-KGLIPLIRSA-N 1 0 318.490 3.594 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc3ccccc3o1)CC2 ZINC000180645875 337176856 /nfs/dbraw/zinc/17/68/56/337176856.db2.gz JIWCLKICUSUSIT-DZGCQCFKSA-N 1 0 324.428 3.813 10 0 DHAERO CC[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(Br)cc1 ZINC000222704894 337180242 /nfs/dbraw/zinc/18/02/42/337180242.db2.gz QLZVQOYNPQFXGQ-CABCVRRESA-N 1 0 311.267 3.584 10 0 DHAERO CC[C@H]([NH2+]C[C@H]1CCCN1C)c1cccc(Br)c1 ZINC000222702685 337180263 /nfs/dbraw/zinc/18/02/63/337180263.db2.gz MUJWBCQRIQUCAF-CABCVRRESA-N 1 0 311.267 3.584 10 0 DHAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000181358957 337181518 /nfs/dbraw/zinc/18/15/18/337181518.db2.gz ZYYKQDZMFBEGGT-MSOLQXFVSA-N 1 0 305.462 3.684 10 0 DHAERO c1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccccc1)C1CCCCC1)CC2 ZINC000183319036 337192904 /nfs/dbraw/zinc/19/29/04/337192904.db2.gz KRTBPBCYDXFVPB-PKOBYXMFSA-N 1 0 310.445 3.504 10 0 DHAERO CCO[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2)C12CCOCC2 ZINC000186239249 337254980 /nfs/dbraw/zinc/25/49/80/337254980.db2.gz JUCLKPUHHIVSRZ-ROUUACIJSA-N 1 0 317.473 3.528 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)s2)C12CCOCC2 ZINC000186271503 337255562 /nfs/dbraw/zinc/25/55/62/337255562.db2.gz LHKNMASHUPNWNP-NUEKZKHPSA-N 1 0 309.475 3.681 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2occ(C)c2c1 ZINC000187924484 337268849 /nfs/dbraw/zinc/26/88/49/337268849.db2.gz VMVIFDXMLDSXMP-HNNXBMFYSA-N 1 0 315.417 3.689 10 0 DHAERO C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188068345 337270289 /nfs/dbraw/zinc/27/02/89/337270289.db2.gz PGWNPFCSYOTWIA-KFNAQCHYSA-N 1 0 323.408 3.795 10 0 DHAERO OC[C@H]1C[N@H+](Cc2coc3ccccc23)C[C@H]1c1ccsc1 ZINC000190283813 337286361 /nfs/dbraw/zinc/28/63/61/337286361.db2.gz XOOYNJUXUXJSNF-PBHICJAKSA-N 1 0 313.422 3.702 10 0 DHAERO CCN(C)c1ccc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)cn1 ZINC000191529759 337298862 /nfs/dbraw/zinc/29/88/62/337298862.db2.gz YCJCSOPDWQWRTB-GOSISDBHSA-N 1 0 313.420 3.844 10 0 DHAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000193301739 337309695 /nfs/dbraw/zinc/30/96/95/337309695.db2.gz XOVTZXANLXOWHC-HOTGVXAUSA-N 1 0 320.481 3.622 10 0 DHAERO CC[NH+](CC)C[C@@H]1CCc2cc(C)cc(Br)c2N1 ZINC000584629918 337376556 /nfs/dbraw/zinc/37/65/56/337376556.db2.gz AJWQLWCPBCBHOS-ZDUSSCGKSA-N 1 0 311.267 3.826 10 0 DHAERO C[C@]1(C2=NOCC2)[NH2+]C[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000584654432 337377768 /nfs/dbraw/zinc/37/77/68/337377768.db2.gz PYJQQZIHEQMBLE-MISYRCLQSA-N 1 0 306.409 3.692 10 0 DHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000105895455 337386892 /nfs/dbraw/zinc/38/68/92/337386892.db2.gz SGBQFBZTCQJGIV-SFHVURJKSA-N 1 0 320.440 3.922 10 0 DHAERO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(F)cc4cccnc43)C2)c1 ZINC000106221287 337387053 /nfs/dbraw/zinc/38/70/53/337387053.db2.gz ZNKHBAWCBPGIMW-SFHVURJKSA-N 1 0 324.403 3.716 10 0 DHAERO CCc1nccn1[C@@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC000109677655 337388491 /nfs/dbraw/zinc/38/84/91/337388491.db2.gz RYEMZYGNBHTUDJ-QGZVFWFLSA-N 1 0 317.477 3.970 10 0 DHAERO [NH3+]CCCN(Cc1ccccc1)C(=O)c1ccc2ccccc2c1 ZINC000336724264 337398556 /nfs/dbraw/zinc/39/85/56/337398556.db2.gz LDVICHVCVALIAY-UHFFFAOYSA-N 1 0 318.420 3.831 10 0 DHAERO CC[C@H]([NH2+][C@H](CO)CC(C)C)c1ccc(Br)cc1 ZINC000040774120 337398807 /nfs/dbraw/zinc/39/88/07/337398807.db2.gz UWOFHJJFCBUDIH-GJZGRUSLSA-N 1 0 314.267 3.897 10 0 DHAERO CC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1ccc(Br)cc1 ZINC000040774126 337398835 /nfs/dbraw/zinc/39/88/35/337398835.db2.gz UWOFHJJFCBUDIH-HUUCEWRRSA-N 1 0 314.267 3.897 10 0 DHAERO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2c3ccccc3C[C@H]2C)C1 ZINC000245629023 337478692 /nfs/dbraw/zinc/47/86/92/337478692.db2.gz SVGOLOAOBKJQIN-CVWNVOELSA-N 1 0 305.487 3.589 10 0 DHAERO CC1(C)CN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000261774171 337610219 /nfs/dbraw/zinc/61/02/19/337610219.db2.gz DZMMOQBSCISLJF-CYBMUJFWSA-N 1 0 320.786 3.918 10 0 DHAERO CC1(C)CN(C(=O)c2ccccc2Nc2ccccc2)CC[C@H]1[NH3+] ZINC000261931346 337612793 /nfs/dbraw/zinc/61/27/93/337612793.db2.gz WGVWUZFZITZGRM-GOSISDBHSA-N 1 0 323.440 3.630 10 0 DHAERO CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]([NH3+])CCC ZINC000262645666 337620148 /nfs/dbraw/zinc/62/01/48/337620148.db2.gz NMZKTBHBNKSKME-NSHDSACASA-N 1 0 317.355 3.593 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(Br)s1 ZINC000153738429 338229526 /nfs/dbraw/zinc/22/95/26/338229526.db2.gz DXLLIUKBXNIHKD-AXFHLTTASA-N 1 0 318.280 3.712 10 0 DHAERO CCc1ccccc1C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000154072382 338236635 /nfs/dbraw/zinc/23/66/35/338236635.db2.gz XGYLVSBUTRVWAC-OAHLLOKOSA-N 1 0 319.408 3.926 10 0 DHAERO C[C@@H]([NH2+]CCC1(F)CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496136855 339999079 /nfs/dbraw/zinc/99/90/79/339999079.db2.gz JVYHVGDAEFGYCQ-ZIAGYGMSSA-N 1 0 314.445 3.504 10 0 DHAERO C[C@H]([NH2+][C@@H]1CC12CCCC2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447030 340146607 /nfs/dbraw/zinc/14/66/07/340146607.db2.gz PXCIMATYAWBROZ-RRFJBIMHSA-N 1 0 308.466 3.554 10 0 DHAERO CC(C)c1nn(C)cc1N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000304070294 340359491 /nfs/dbraw/zinc/35/94/91/340359491.db2.gz DFVINNQZESQMHA-NVXWUHKLSA-N 1 0 312.461 3.618 10 0 DHAERO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000173387877 340363872 /nfs/dbraw/zinc/36/38/72/340363872.db2.gz QVWWSIXJBVJITD-XEZPLFJOSA-N 1 0 323.868 3.525 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2C)C12CCOCC2 ZINC000186261590 340510134 /nfs/dbraw/zinc/51/01/34/340510134.db2.gz XSERCIVBLNLHSI-YTQUADARSA-N 1 0 317.473 3.928 10 0 DHAERO CC(C)c1ccc([C@H](C)NC(=O)[C@](C)([NH3+])c2ccccc2)cc1 ZINC000236748958 340664556 /nfs/dbraw/zinc/66/45/56/340664556.db2.gz CYFYFUGDSFCVKP-MGPUTAFESA-N 1 0 310.441 3.861 10 0 DHAERO CC[NH+](CC)[C@@H](C)CNC(=O)C[C@@H](c1ccccc1)C(C)C ZINC000041110931 340709514 /nfs/dbraw/zinc/70/95/14/340709514.db2.gz YHPNVCQJPPWGFI-FUHWJXTLSA-N 1 0 304.478 3.663 10 0 DHAERO COc1ccc(OCC[N@H+](C)Cc2ccc3ccccc3n2)cc1 ZINC000072824193 341107898 /nfs/dbraw/zinc/10/78/98/341107898.db2.gz ZHFQFVKZZMYNMO-UHFFFAOYSA-N 1 0 322.408 3.754 10 0 DHAERO CCC[C@@H](C(=O)Nc1cccc(-c2csc(C)n2)c1)[NH+](C)C ZINC000134224458 341210051 /nfs/dbraw/zinc/21/00/51/341210051.db2.gz VHCSKBJRJMDKPE-INIZCTEOSA-N 1 0 317.458 3.787 10 0 DHAERO CC[NH+](CC)C[C@H](C)NCc1cc(C(F)(F)F)ccc1F ZINC000134653302 341221124 /nfs/dbraw/zinc/22/11/24/341221124.db2.gz KGYVYHIMLFKADF-NSHDSACASA-N 1 0 306.347 3.664 10 0 DHAERO Cc1ncc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)s1 ZINC000134837402 341224820 /nfs/dbraw/zinc/22/48/20/341224820.db2.gz HVWWZBDKYRCMFE-OAHLLOKOSA-N 1 0 318.417 3.828 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(Cl)ccc1C ZINC000245439002 341294214 /nfs/dbraw/zinc/29/42/14/341294214.db2.gz ZACCWSFDUXRQDI-CABCVRRESA-N 1 0 321.852 3.739 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccnc2)C1(C)C ZINC000245954870 341319563 /nfs/dbraw/zinc/31/95/63/341319563.db2.gz XEPVOMCYSRNISQ-GUDVDZBRSA-N 1 0 310.441 3.964 10 0 DHAERO Cc1cc(-c2noc([C@@H](C)N3CCS[C@@H](C)C3)n2)ccc1F ZINC000246120601 341327803 /nfs/dbraw/zinc/32/78/03/341327803.db2.gz KZURCYCHHNWCFM-NWDGAFQWSA-N 1 0 321.421 3.682 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC[C@H](C)c1ccccc1 ZINC000246303131 341341012 /nfs/dbraw/zinc/34/10/12/341341012.db2.gz PVFLIHSFZFKEPH-WMZOPIPTSA-N 1 0 302.462 3.513 10 0 DHAERO CCc1cccc(CC)c1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246432457 341348620 /nfs/dbraw/zinc/34/86/20/341348620.db2.gz NIIGQHTVYIAICU-RHSMWYFYSA-N 1 0 317.477 3.662 10 0 DHAERO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000246819440 341357381 /nfs/dbraw/zinc/35/73/81/341357381.db2.gz UHAPYJBQLKSKHZ-GUYCJALGSA-N 1 0 320.864 3.708 10 0 DHAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000246819407 341357435 /nfs/dbraw/zinc/35/74/35/341357435.db2.gz UHAPYJBQLKSKHZ-DYVFJYSZSA-N 1 0 320.864 3.708 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)[C@H]1CCCO1 ZINC000246857233 341357970 /nfs/dbraw/zinc/35/79/70/341357970.db2.gz CVPHXRLQAGYNSQ-IMSIIYSGSA-N 1 0 316.214 3.806 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000247097755 341360927 /nfs/dbraw/zinc/36/09/27/341360927.db2.gz PWHJXHMMGHNKOB-DGCLKSJQSA-N 1 0 316.367 3.562 10 0 DHAERO CC(C)[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000247141727 341361353 /nfs/dbraw/zinc/36/13/53/341361353.db2.gz JSHZIXWBXPWHTA-UHOSZYNNSA-N 1 0 314.473 3.511 10 0 DHAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(Cl)sc2Cl)C1 ZINC000247292966 341363090 /nfs/dbraw/zinc/36/30/90/341363090.db2.gz KXUXBEVMSVAHSI-WCBMZHEXSA-N 1 0 321.273 3.513 10 0 DHAERO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@@H](O)COC(C)(C)C)o1 ZINC000247502002 341365966 /nfs/dbraw/zinc/36/59/66/341365966.db2.gz LUOOGLBKEKVTGM-BMFZPTHFSA-N 1 0 309.450 3.537 10 0 DHAERO CC(C)CO[C@H](C)c1noc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)n1 ZINC000248444326 341377962 /nfs/dbraw/zinc/37/79/62/341377962.db2.gz WCCFMDYYKBXYTJ-ZJIFWQFVSA-N 1 0 321.465 3.814 10 0 DHAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@@H](C)C1 ZINC000248531248 341379239 /nfs/dbraw/zinc/37/92/39/341379239.db2.gz FFGJNVMHNBKHOA-TWMKSMIVSA-N 1 0 308.510 3.638 10 0 DHAERO C[C@H](CC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000248826399 341387781 /nfs/dbraw/zinc/38/77/81/341387781.db2.gz GJHUOVQFGLDINY-MJGOQNOKSA-N 1 0 324.472 3.571 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C(C)C)C12CCOCC2 ZINC000248912379 341390027 /nfs/dbraw/zinc/39/00/27/341390027.db2.gz CJLCKXAKHFEZCI-QRVBRYPASA-N 1 0 317.473 3.948 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)Cc2ccccc2)C12CCOCC2 ZINC000248998527 341391571 /nfs/dbraw/zinc/39/15/71/341391571.db2.gz MPOFLHQRMFMLPC-CEXWTWQISA-N 1 0 317.473 3.572 10 0 DHAERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000249109499 341394037 /nfs/dbraw/zinc/39/40/37/341394037.db2.gz LVVXKNBQADECGB-GQIGUUNPSA-N 1 0 322.452 3.993 10 0 DHAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1OC(F)(F)F ZINC000152853486 341508945 /nfs/dbraw/zinc/50/89/45/341508945.db2.gz UWCQOZLEXBVLCA-GVXVVHGQSA-N 1 0 303.324 3.803 10 0 DHAERO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000262355348 341519964 /nfs/dbraw/zinc/51/99/64/341519964.db2.gz VSPDHIPGNSVQRU-ZDUSSCGKSA-N 1 0 316.832 3.593 10 0 DHAERO COc1ccccc1C[C@@H]([NH2+]CCc1ccccc1O)C(C)C ZINC000155005272 341599818 /nfs/dbraw/zinc/59/98/18/341599818.db2.gz FCKMWXKPGQPSMJ-GOSISDBHSA-N 1 0 313.441 3.800 10 0 DHAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000181918205 519733954 /nfs/dbraw/zinc/73/39/54/519733954.db2.gz OWRSZZVHLIGAFZ-SCLBCKFNSA-N 1 0 310.397 3.819 10 0 DHAERO CCC[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000157643334 521116799 /nfs/dbraw/zinc/11/67/99/521116799.db2.gz JOZDJGLYWWHTLB-KRWDZBQOSA-N 1 0 316.832 3.751 10 0 DHAERO CCC(=O)N1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccccc2C)C1 ZINC000180777911 521138203 /nfs/dbraw/zinc/13/82/03/521138203.db2.gz VMJSIPNPVWBERK-WIYYLYMNSA-N 1 0 322.452 3.685 10 0 DHAERO C[NH+](C)C[C@@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000103584420 521826417 /nfs/dbraw/zinc/82/64/17/521826417.db2.gz DWQVJOJBSGHPRY-GOSISDBHSA-N 1 0 322.412 3.592 10 0 DHAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000188142197 522511559 /nfs/dbraw/zinc/51/15/59/522511559.db2.gz FAXIQVXFPSBNET-DOMZBBRYSA-N 1 0 318.852 3.722 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000106217649 522600315 /nfs/dbraw/zinc/60/03/15/522600315.db2.gz DLGAOBXVHWZANO-INIZCTEOSA-N 1 0 303.837 3.936 10 0 DHAERO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000262491497 524039888 /nfs/dbraw/zinc/03/98/88/524039888.db2.gz ZORXCSVECYWCIK-JKQORVJESA-N 1 0 318.461 3.530 10 0 DHAERO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000156824899 524852630 /nfs/dbraw/zinc/85/26/30/524852630.db2.gz RULNBOHAPUAUQF-STQMWFEESA-N 1 0 300.427 3.760 10 0 DHAERO C[C@H]([NH2+]CCCCCn1cccn1)c1cccc(-n2ccnc2)c1 ZINC000189905547 525332822 /nfs/dbraw/zinc/33/28/22/525332822.db2.gz IRXQCYWACKWYOV-KRWDZBQOSA-N 1 0 323.444 3.590 10 0 DHAERO Cc1cc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c(C)s1 ZINC000180499217 525531809 /nfs/dbraw/zinc/53/18/09/525531809.db2.gz SOTKAUMDZXARGH-JSGCOSHPSA-N 1 0 318.490 3.745 10 0 DHAERO C[C@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1CCOC1 ZINC000119749373 525549343 /nfs/dbraw/zinc/54/93/43/525549343.db2.gz BWLLFWCIGXMZSC-ZMSDIMECSA-N 1 0 301.430 3.838 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc(-c2ccccc2)c1 ZINC000180604589 525585990 /nfs/dbraw/zinc/58/59/90/525585990.db2.gz PEYDZAZKHZTGKC-HNAYVOBHSA-N 1 0 318.424 3.611 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C)c1cccnc1 ZINC000187755388 525606691 /nfs/dbraw/zinc/60/66/91/525606691.db2.gz KQDJRAOVSMICAZ-DZKIICNBSA-N 1 0 319.449 3.520 10 0 DHAERO Cc1ccc([C@@H]([NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)C2CC2)cc1 ZINC000180534201 525775972 /nfs/dbraw/zinc/77/59/72/525775972.db2.gz WMHGWWBKWDYVOZ-IEBWSBKVSA-N 1 0 324.472 3.766 10 0 DHAERO Cc1ccc([C@H](C)[NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)o1 ZINC000161937645 525917689 /nfs/dbraw/zinc/91/76/89/525917689.db2.gz UPJWALKDAJRABX-AWEZNQCLSA-N 1 0 306.450 3.523 10 0 DHAERO Cc1c([C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)cnn1C(C)(C)C ZINC000191266883 525922655 /nfs/dbraw/zinc/92/26/55/525922655.db2.gz BTHPTOZGZWZBML-KBPBESRZSA-N 1 0 315.461 3.934 10 0 DHAERO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000246237267 526093885 /nfs/dbraw/zinc/09/38/85/526093885.db2.gz IJTKMNBEDCSQKA-ZTFGCOKTSA-N 1 0 300.446 3.504 10 0 DHAERO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000181048737 526174137 /nfs/dbraw/zinc/17/41/37/526174137.db2.gz VGNMEKLVSFDXSO-ZDUSSCGKSA-N 1 0 310.401 3.502 10 0 DHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nnc(C(C)C)n3C1)CCC2 ZINC000180531158 526212456 /nfs/dbraw/zinc/21/24/56/526212456.db2.gz HJPJLRODPUAVOV-FUHWJXTLSA-N 1 0 324.472 3.692 10 0 DHAERO Fc1ccc(CSc2nnc([C@H]3CCC[NH2+]3)o2)c(Cl)c1 ZINC000040173827 526344377 /nfs/dbraw/zinc/34/43/77/526344377.db2.gz MFXDKEDBJROVIQ-LLVKDONJSA-N 1 0 313.785 3.579 10 0 DHAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H]3CCCc4ccccc43)C2)n1 ZINC000106178188 526760661 /nfs/dbraw/zinc/76/06/61/526760661.db2.gz RVJCOPIDFJUXEJ-YLJYHZDGSA-N 1 0 324.472 3.685 10 0 DHAERO OC[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1c1ccsc1 ZINC000188069280 527596403 /nfs/dbraw/zinc/59/64/03/527596403.db2.gz VUBWXBSLOFXRHO-GJZGRUSLSA-N 1 0 307.846 3.609 10 0 DHAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000112557620 527660569 /nfs/dbraw/zinc/66/05/69/527660569.db2.gz GULSXIKFZUYMEA-SFHVURJKSA-N 1 0 306.413 3.927 10 0 DHAERO Cc1ccc([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c(F)c1 ZINC000675055710 563909886 /nfs/dbraw/zinc/90/98/86/563909886.db2.gz WVPOPNAQPLMZAL-WFASDCNBSA-N 1 0 308.397 3.533 10 0 DHAERO COc1ccc(-c2ccc(C[NH2+]CCCCCO)o2)cc1Cl ZINC000013727195 563387879 /nfs/dbraw/zinc/38/78/79/563387879.db2.gz HBHHUYQWPLQOJK-UHFFFAOYSA-N 1 0 323.820 3.861 10 0 DHAERO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593061 563495777 /nfs/dbraw/zinc/49/57/77/563495777.db2.gz IBDBUXNMQVARBX-HLLBOEOZSA-N 1 0 318.461 3.953 10 0 DHAERO CCc1ccc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000675054000 563861907 /nfs/dbraw/zinc/86/19/07/563861907.db2.gz LEGTYMCNEDUGLQ-HOTGVXAUSA-N 1 0 304.434 3.567 10 0 DHAERO Cc1cc(Cl)ccc1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675055125 563870037 /nfs/dbraw/zinc/87/00/37/563870037.db2.gz QDKVVQZJKQYJQH-HIFRSBDPSA-N 1 0 324.852 3.966 10 0 DHAERO Cc1cc(Cl)ccc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675055120 563870085 /nfs/dbraw/zinc/87/00/85/563870085.db2.gz QDKVVQZJKQYJQH-DZGCQCFKSA-N 1 0 324.852 3.966 10 0 DHAERO CCCCOc1ccccc1NC(=O)O[C@@H]1C[NH+]2CCC1CC2 ZINC000048523916 563923935 /nfs/dbraw/zinc/92/39/35/563923935.db2.gz MDPLFUSLQUMWDG-QGZVFWFLSA-N 1 0 318.417 3.508 10 0 DHAERO CC(=O)N(C1CCC1)[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)CC1 ZINC000328632928 563929802 /nfs/dbraw/zinc/92/98/02/563929802.db2.gz LPAJUDSVQLGTHT-IEBWSBKVSA-N 1 0 304.478 3.598 10 0 DHAERO Brc1csc([C@H]2[NH2+]CCc3ccsc32)c1 ZINC000712574568 563961900 /nfs/dbraw/zinc/96/19/00/563961900.db2.gz YPFMHVBTEHCDDS-SNVBAGLBSA-N 1 0 300.246 3.807 10 0 DHAERO CCc1cccc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675055375 568420075 /nfs/dbraw/zinc/42/00/75/568420075.db2.gz RRVYRSQLQZONER-CVEARBPZSA-N 1 0 304.434 3.567 10 0 DHAERO CN(Cc1ncc(-c2ccccc2Cl)o1)[C@H]1CCSC1 ZINC000089936597 1032373901 /nfs/dbraw/zinc/37/39/01/1032373901.db2.gz QYNPMKMARHUKAV-NSHDSACASA-N 1 0 308.834 3.932 10 0 DHAERO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c(OC)c1 ZINC000092788440 1032511167 /nfs/dbraw/zinc/51/11/67/1032511167.db2.gz CWBGLBKBGQFADV-CQSZACIVSA-N 1 0 318.442 3.540 10 0 DHAERO CCC[NH2+]Cc1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000082661913 185191537 /nfs/dbraw/zinc/19/15/37/185191537.db2.gz BALVTYJSCZSKRU-UHFFFAOYSA-N 1 0 301.287 3.530 10 0 DHAERO O=C(c1ccc(Br)c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000082726317 185197339 /nfs/dbraw/zinc/19/73/39/185197339.db2.gz BWEFYCKHIZCNMZ-NSHDSACASA-N 1 0 318.214 3.785 10 0 DHAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000090227196 185287706 /nfs/dbraw/zinc/28/77/06/185287706.db2.gz BWYWLRFXVRROOK-QZTJIDSGSA-N 1 0 312.461 3.668 10 0 DHAERO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(C)o1)CC(C)C ZINC000071923414 191032099 /nfs/dbraw/zinc/03/20/99/191032099.db2.gz IPXGOGAPKLZDGX-HOTGVXAUSA-N 1 0 323.481 3.705 10 0 DHAERO CC(C)c1ccc(CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000150762197 186065368 /nfs/dbraw/zinc/06/53/68/186065368.db2.gz DBOHVJTZSLLGPG-MSOLQXFVSA-N 1 0 314.473 3.819 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 ZINC000236805070 202018792 /nfs/dbraw/zinc/01/87/92/202018792.db2.gz DELHZCHUEWLPQH-OAHLLOKOSA-N 1 0 313.401 3.557 10 0 DHAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000236920816 202072690 /nfs/dbraw/zinc/07/26/90/202072690.db2.gz CAXOQYMQDKIKPQ-TVQRCGJNSA-N 1 0 323.849 3.775 10 0 DHAERO CC(C)(C)OC(=O)N1C[C@@H]([C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000261508569 203073134 /nfs/dbraw/zinc/07/31/34/203073134.db2.gz USLPNLMUGNPBHI-ZFWWWQNUSA-N 1 0 302.418 3.525 10 0 DHAERO CC(C)(C)OC(=O)N1C[C@@H]([C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000261508567 203073232 /nfs/dbraw/zinc/07/32/32/203073232.db2.gz USLPNLMUGNPBHI-HIFRSBDPSA-N 1 0 302.418 3.525 10 0 DHAERO CC(C)[C@@H]([C@@H](c1ccccc1)c1ccccn1)[NH+]1CCOCC1 ZINC000015784036 182017294 /nfs/dbraw/zinc/01/72/94/182017294.db2.gz XBSWXNXFFUYYAO-PMACEKPBSA-N 1 0 310.441 3.570 10 0 DHAERO CN(c1ccccc1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000019437450 182123016 /nfs/dbraw/zinc/12/30/16/182123016.db2.gz YZDDDENACDLVFJ-HNNXBMFYSA-N 1 0 305.219 3.585 10 0 DHAERO CN([C@H](C[NH3+])c1ccc(Br)s1)C1CCCCC1 ZINC000019407410 182122181 /nfs/dbraw/zinc/12/21/81/182122181.db2.gz IPXLLEOYPXYXDO-LLVKDONJSA-N 1 0 317.296 3.775 10 0 DHAERO NC(=[NH2+])Cc1ccc(OCc2cccc(Br)c2)cc1 ZINC000019505270 182126918 /nfs/dbraw/zinc/12/69/18/182126918.db2.gz QAMIYYSLIGLADS-UHFFFAOYSA-N 1 0 319.202 3.507 10 0 DHAERO [NH3+]C[C@H](c1ccccc1Br)N1CCc2ccccc21 ZINC000019475193 182124314 /nfs/dbraw/zinc/12/43/14/182124314.db2.gz SZJJTWNXFXFMJB-MRXNPFEDSA-N 1 0 317.230 3.512 10 0 DHAERO [NH3+][C@H](c1ccc(F)c(F)c1)c1ccc(Br)cc1F ZINC000019968498 182171212 /nfs/dbraw/zinc/17/12/12/182171212.db2.gz SYDJIWGXAJRRHS-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO [NH3+][C@H](c1cc(Br)ccc1Br)C1CC1 ZINC000019969175 182171428 /nfs/dbraw/zinc/17/14/28/182171428.db2.gz HEYNZIPXDBLGOK-JTQLQIEISA-N 1 0 305.013 3.621 10 0 DHAERO [NH3+][C@@H](c1ccc(F)cc1F)c1ccc(F)cc1Br ZINC000019968896 182171613 /nfs/dbraw/zinc/17/16/13/182171613.db2.gz YMBBLCOZKNIASP-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])C1CCC1 ZINC000019967853 182171826 /nfs/dbraw/zinc/17/18/26/182171826.db2.gz MUJCXTYZRDBZPN-LLVKDONJSA-N 1 0 304.615 3.911 10 0 DHAERO [NH3+][C@H](c1ccc(Br)cc1)c1c(F)cc(F)cc1F ZINC000019971718 182172138 /nfs/dbraw/zinc/17/21/38/182172138.db2.gz MRHWAVYWYMBSSC-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO COc1ccc([C@H]([NH3+])c2cccc(Br)c2)c(C)c1 ZINC000019972188 182172188 /nfs/dbraw/zinc/17/21/88/182172188.db2.gz PUSCIDBLTPHILZ-OAHLLOKOSA-N 1 0 306.203 3.814 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2cc(F)ccc2Br)c(C)c1 ZINC000019972059 182172488 /nfs/dbraw/zinc/17/24/88/182172488.db2.gz NXFUQLZFTYIVTI-OAHLLOKOSA-N 1 0 324.193 3.953 10 0 DHAERO [NH3+][C@@H](c1ccc(Br)cc1)c1c(F)cc(F)cc1F ZINC000019971717 182172562 /nfs/dbraw/zinc/17/25/62/182172562.db2.gz MRHWAVYWYMBSSC-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO Cc1nc2scc(-c3ccc(Cl)cc3)c2c(NCC[NH3+])n1 ZINC000020324346 182207880 /nfs/dbraw/zinc/20/78/80/182207880.db2.gz IFFGBOCZJHENJZ-UHFFFAOYSA-N 1 0 318.833 3.691 10 0 DHAERO CCOc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1OC ZINC000020353509 182210171 /nfs/dbraw/zinc/21/01/71/182210171.db2.gz ILXHJENUJKCREI-IBGZPJMESA-N 1 0 322.408 3.810 10 0 DHAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1ccc(C)cc1 ZINC000020586916 182235845 /nfs/dbraw/zinc/23/58/45/182235845.db2.gz YRSANNQWLPRZTI-HNNXBMFYSA-N 1 0 306.203 3.814 10 0 DHAERO COc1cc(Br)cc(C[NH2+]CCC(C)C)c1OC ZINC000020933999 182255074 /nfs/dbraw/zinc/25/50/74/182255074.db2.gz AJMRJOAUACWQEX-UHFFFAOYSA-N 1 0 316.239 3.602 10 0 DHAERO Cc1ccc(COc2cccc(CNCCC[NH+](C)C)c2)cc1 ZINC000020874478 182250718 /nfs/dbraw/zinc/25/07/18/182250718.db2.gz RQPZSXSBKSEWGR-UHFFFAOYSA-N 1 0 312.457 3.615 10 0 DHAERO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000021809789 182291698 /nfs/dbraw/zinc/29/16/98/182291698.db2.gz FQNDZMAGKXFDTP-CQSZACIVSA-N 1 0 309.196 3.502 10 0 DHAERO C[NH2+]CC/C=C(/c1ccc(Br)cc1)c1cccnc1 ZINC000028001173 182504051 /nfs/dbraw/zinc/50/40/51/182504051.db2.gz VQVDJYDOAZXKDF-BNCCVWRVSA-N 1 0 317.230 3.885 10 0 DHAERO C[C@H]([NH2+]C1CC(c2ccc(Br)cc2)C1)[C@H]1CCCO1 ZINC000036845101 182848369 /nfs/dbraw/zinc/84/83/69/182848369.db2.gz LDJPZKQBWFAKQV-SXSDBLRQSA-N 1 0 324.262 3.852 10 0 DHAERO CC[NH2+][C@H](Cc1cccc(Br)c1)Cc1ccccn1 ZINC000037535424 182904984 /nfs/dbraw/zinc/90/49/84/182904984.db2.gz GYPFMCBJGDKCSK-MRXNPFEDSA-N 1 0 319.246 3.607 10 0 DHAERO CC(C)[NH2+]CCCc1nc(-c2ccccc2Br)c[nH]1 ZINC000037635004 182915405 /nfs/dbraw/zinc/91/54/05/182915405.db2.gz IZVJEPBRINTJRU-UHFFFAOYSA-N 1 0 322.250 3.770 10 0 DHAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1ccccc1Cl ZINC000040687592 183117971 /nfs/dbraw/zinc/11/79/71/183117971.db2.gz VUVNYCSHMKAZKP-UHFFFAOYSA-N 1 0 312.764 3.594 10 0 DHAERO Cc1ccc(Nc2ncnc(Nc3cc[nH+]cc3)c2N)cc1C ZINC000040687494 183118120 /nfs/dbraw/zinc/11/81/20/183118120.db2.gz ZSMUDSXHSXBQLB-UHFFFAOYSA-N 1 0 306.373 3.558 10 0 DHAERO Cc1cc(Oc2nc[nH+]c(NNC(C)(C)C)c2N)ccc1Cl ZINC000040796602 183135519 /nfs/dbraw/zinc/13/55/19/183135519.db2.gz JNNOYZXWBXVIOU-UHFFFAOYSA-N 1 0 321.812 3.528 10 0 DHAERO CN(Cc1cc(Br)cs1)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042400267 183264179 /nfs/dbraw/zinc/26/41/79/183264179.db2.gz HHPVPVIQBMGICD-STQMWFEESA-N 1 0 317.296 3.602 10 0 DHAERO CC(C)CN([C@H](C[NH3+])c1ccccc1Br)C1CC1 ZINC000042555302 183283890 /nfs/dbraw/zinc/28/38/90/183283890.db2.gz DIDOLVMEDRMSBH-OAHLLOKOSA-N 1 0 311.267 3.569 10 0 DHAERO CCCCCN(C(C)C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042555092 183284281 /nfs/dbraw/zinc/28/42/81/183284281.db2.gz SLFFKSFJKPLGRD-LBPRGKRZSA-N 1 0 317.271 3.943 10 0 DHAERO CC(C)CN([C@@H](C[NH3+])c1ccc(Br)s1)C1CC1 ZINC000042555293 183284331 /nfs/dbraw/zinc/28/43/31/183284331.db2.gz PQNKNDHQFIOVFI-NSHDSACASA-N 1 0 317.296 3.631 10 0 DHAERO CC(C)C[C@@H](C)N(C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042577551 183286548 /nfs/dbraw/zinc/28/65/48/183286548.db2.gz UHBUMIFRXSBNFS-PWSUYJOCSA-N 1 0 319.312 3.877 10 0 DHAERO CC(C)[N@H+](CC1CC1)[C@H](CN)c1ccc(Br)cc1 ZINC000042580082 183286992 /nfs/dbraw/zinc/28/69/92/183286992.db2.gz PCKNJDVJLVAGLG-OAHLLOKOSA-N 1 0 311.267 3.569 10 0 DHAERO C[C@@H](CN1CCCC1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000042598389 183289581 /nfs/dbraw/zinc/28/95/81/183289581.db2.gz QYUFEMXUEFUKPW-QWRGUYRKSA-N 1 0 317.296 3.646 10 0 DHAERO C[C@H]([NH3+])[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000042903292 183317582 /nfs/dbraw/zinc/31/75/82/183317582.db2.gz ALAQHZQHFLXOPU-NHYWBVRUSA-N 1 0 306.203 3.916 10 0 DHAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCC[C@@H]1C ZINC000042954016 183321560 /nfs/dbraw/zinc/32/15/60/183321560.db2.gz BEYZNGJQPATCIT-GLQYFDAESA-N 1 0 311.267 3.712 10 0 DHAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)CC1CC1 ZINC000042954051 183322088 /nfs/dbraw/zinc/32/20/88/183322088.db2.gz DAQKWBGQDUDPAR-CABCVRRESA-N 1 0 311.267 3.569 10 0 DHAERO CC(C)CCO[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042957196 183323113 /nfs/dbraw/zinc/32/31/13/183323113.db2.gz GJQOVUNKXYRENS-FZMZJTMJSA-N 1 0 300.240 3.900 10 0 DHAERO CC(C)CCCO[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957903 183323724 /nfs/dbraw/zinc/32/37/24/183323724.db2.gz UGPHKXDCVUXCRE-AWEZNQCLSA-N 1 0 300.240 3.902 10 0 DHAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)Cc1ccco1 ZINC000043020512 183328463 /nfs/dbraw/zinc/32/84/63/183328463.db2.gz RXWBBZUXECHAHB-XHDPSFHLSA-N 1 0 323.234 3.562 10 0 DHAERO CCC(CC)[N@H+](C)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020647 183329905 /nfs/dbraw/zinc/32/99/05/183329905.db2.gz JATYNYXXERTEKI-ABAIWWIYSA-N 1 0 313.283 3.958 10 0 DHAERO CCC[C@H](C)[N@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020654 183330061 /nfs/dbraw/zinc/33/00/61/183330061.db2.gz RICJQHFLJIWQJD-YWPYICTPSA-N 1 0 313.283 3.958 10 0 DHAERO CC[C@@H]([NH3+])[C@H](OCC(C)C)c1cccc(Br)c1 ZINC000043022900 183330757 /nfs/dbraw/zinc/33/07/57/183330757.db2.gz UBTGIVWXNYNFDX-ZIAGYGMSSA-N 1 0 300.240 3.900 10 0 DHAERO CC[C@H]([NH3+])[C@@H](SCCOC)c1cccc(Br)c1 ZINC000043024911 183331521 /nfs/dbraw/zinc/33/15/21/183331521.db2.gz MAYLNMZUULWVAZ-STQMWFEESA-N 1 0 318.280 3.607 10 0 DHAERO Cc1ccccc1[C@H](C[NH3+])Oc1ccc(Br)cc1 ZINC000043038504 183332115 /nfs/dbraw/zinc/33/21/15/183332115.db2.gz BXDWLNDJRMDPNV-HNNXBMFYSA-N 1 0 306.203 3.836 10 0 DHAERO Cc1ccccc1O[C@H](C[NH3+])c1ccccc1Br ZINC000043094303 183336727 /nfs/dbraw/zinc/33/67/27/183336727.db2.gz IYRPYFKQRNSJOM-OAHLLOKOSA-N 1 0 306.203 3.836 10 0 DHAERO Cc1ccc(O[C@@H](C[NH3+])c2ccccc2Br)cc1 ZINC000043094500 183336785 /nfs/dbraw/zinc/33/67/85/183336785.db2.gz DTHBYKZEXNSTJI-HNNXBMFYSA-N 1 0 306.203 3.836 10 0 DHAERO CC[C@H]([NH3+])[C@H](SCCOC)c1ccccc1Br ZINC000043096230 183337321 /nfs/dbraw/zinc/33/73/21/183337321.db2.gz UWDZRPGPRUNBPX-QWHCGFSZSA-N 1 0 318.280 3.607 10 0 DHAERO CC[C@@H]([NH3+])[C@H](OCC(C)C)c1ccccc1Br ZINC000043094618 183337467 /nfs/dbraw/zinc/33/74/67/183337467.db2.gz FBIVEEZNTSCZRO-ZIAGYGMSSA-N 1 0 300.240 3.900 10 0 DHAERO COc1ccccc1[C@@H](C[NH3+])Oc1ccc(Br)cc1 ZINC000043099098 183338450 /nfs/dbraw/zinc/33/84/50/183338450.db2.gz BAVQFIVZGRAGNT-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H](C)c3cccc(F)c3)C2)n1 ZINC000106176962 194189663 /nfs/dbraw/zinc/18/96/63/194189663.db2.gz AEKYPLJDQBDJCZ-BBRMVZONSA-N 1 0 316.424 3.507 10 0 DHAERO C[NH2+][C@H]1CCCC[C@H]1CCOc1ccc(Br)cc1 ZINC000049597134 183745587 /nfs/dbraw/zinc/74/55/87/183745587.db2.gz BGPPRXGXRKIYNT-WFASDCNBSA-N 1 0 312.251 3.996 10 0 DHAERO CC[NH2+][C@H]1CCC[C@H]1CCOc1ccc(Br)cc1 ZINC000049597086 183745736 /nfs/dbraw/zinc/74/57/36/183745736.db2.gz XDOCTTRGAMSUJW-WFASDCNBSA-N 1 0 312.251 3.996 10 0 DHAERO CC(C)[NH2+]C[C@]1(Cc2ccc(Cl)cc2Cl)CCOC1 ZINC000054664820 183947500 /nfs/dbraw/zinc/94/75/00/183947500.db2.gz RYLQICDHRJBSBU-OAHLLOKOSA-N 1 0 302.245 3.941 10 0 DHAERO CCC[NH2+][C@@H](c1ccc(Br)s1)C1CCOCC1 ZINC000061672183 184181695 /nfs/dbraw/zinc/18/16/95/184181695.db2.gz AGBKUUAWKMCOFE-CYBMUJFWSA-N 1 0 318.280 3.978 10 0 DHAERO C[NH2+][C@H](C)[C@@H](Cc1ccc(OC)c(Br)c1)C(C)C ZINC000061686810 184182851 /nfs/dbraw/zinc/18/28/51/184182851.db2.gz NGAQWCOFYHUAAU-YPMHNXCESA-N 1 0 314.267 3.880 10 0 DHAERO C[NH2+][C@H](C)c1ccc(OCc2ccco2)c(Br)c1 ZINC000061698718 184183850 /nfs/dbraw/zinc/18/38/50/184183850.db2.gz USMOOKHOQYMSDI-SNVBAGLBSA-N 1 0 310.191 3.902 10 0 DHAERO Cc1cc(Br)ccc1O[C@H](C[NH3+])c1cccc(F)c1 ZINC000063061680 184268550 /nfs/dbraw/zinc/26/85/50/184268550.db2.gz VXNOWTJONUBGRM-OAHLLOKOSA-N 1 0 324.193 3.975 10 0 DHAERO CC1(C)CCC[N@@H+]1CC[C@H](O)c1cccc(Br)c1 ZINC000063073591 184269238 /nfs/dbraw/zinc/26/92/38/184269238.db2.gz GEVJXMYRDZZTHW-AWEZNQCLSA-N 1 0 312.251 3.747 10 0 DHAERO CCn1c([C@H]2CC[N@H+](Cc3ccsc3)C2)nc2cccnc21 ZINC000065285339 184321451 /nfs/dbraw/zinc/32/14/51/184321451.db2.gz RSRCUSSBHOQNEP-AWEZNQCLSA-N 1 0 312.442 3.502 10 0 DHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H](C)CCC=C(C)C ZINC000275683276 257256982 /nfs/dbraw/zinc/25/69/82/257256982.db2.gz WMQJYFJUUJACOK-ULQDDVLXSA-N 1 0 305.466 3.848 10 0 DHAERO C[C@H](C(=O)Nc1ccccc1SC1CCCC1)C1C[NH2+]C1 ZINC000163915332 132125528 /nfs/dbraw/zinc/12/55/28/132125528.db2.gz GWJWKIPMJHHQKW-LBPRGKRZSA-N 1 0 304.459 3.515 10 0 DHAERO C[NH+](C)C[C@@H](NCc1ccc(F)cc1Cl)c1ccccc1 ZINC000119949492 132138535 /nfs/dbraw/zinc/13/85/35/132138535.db2.gz UDUXJTTYOKVGRB-QGZVFWFLSA-N 1 0 306.812 3.872 10 0 DHAERO CC[NH2+][C@H]1CCN(c2cc(Br)ccc2C)[C@H](C)C1 ZINC000049712870 134758357 /nfs/dbraw/zinc/75/83/57/134758357.db2.gz MIYKACFAFVRYSY-OCCSQVGLSA-N 1 0 311.267 3.724 10 0 DHAERO FC(F)(F)C[C@H](NCCC[NH+]1CCCC1)c1ccccc1 ZINC000037229649 331546053 /nfs/dbraw/zinc/54/60/53/331546053.db2.gz NIJPEYPEYISJNT-HNNXBMFYSA-N 1 0 300.368 3.756 10 0 DHAERO CCn1cc(C2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)cn1 ZINC000255167955 331721400 /nfs/dbraw/zinc/72/14/00/331721400.db2.gz DYVMWCNLLNMYJL-ARJAWSKDSA-N 1 0 313.420 3.935 10 0 DHAERO CSc1ccccc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000130191929 332023216 /nfs/dbraw/zinc/02/32/16/332023216.db2.gz KAUYNXWUIAEPLY-BLLLJJGKSA-N 1 0 300.427 3.683 10 0 DHAERO C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000040852299 332205226 /nfs/dbraw/zinc/20/52/26/332205226.db2.gz ZZTZOAGVBNSHQX-BLLLJJGKSA-N 1 0 302.805 3.607 10 0 DHAERO C[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000040852302 332205244 /nfs/dbraw/zinc/20/52/44/332205244.db2.gz ZZTZOAGVBNSHQX-MLGOLLRUSA-N 1 0 302.805 3.607 10 0 DHAERO C[C@H](N[C@@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1Cl ZINC000050395194 332354174 /nfs/dbraw/zinc/35/41/74/332354174.db2.gz AALZEJARSFAGMQ-OIBJUYFYSA-N 1 0 321.635 3.576 10 0 DHAERO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000261629753 332458641 /nfs/dbraw/zinc/45/86/41/332458641.db2.gz CVBOGKDKNPRWGG-INIZCTEOSA-N 1 0 310.441 3.556 10 0 DHAERO Cc1c([C@H](C)[NH2+]C2CCCC2)nnn1-c1ccc(Cl)cc1 ZINC000151248607 332566431 /nfs/dbraw/zinc/56/64/31/332566431.db2.gz FPVGRBJUXKETHU-NSHDSACASA-N 1 0 304.825 3.822 10 0 DHAERO CCn1cnnc1C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000151020088 332677080 /nfs/dbraw/zinc/67/70/80/332677080.db2.gz KXFFRJMRDZZEAW-SFHVURJKSA-N 1 0 310.445 3.555 10 0 DHAERO Cc1ccccc1[C@H]([NH2+]CCCn1ccnc1)c1ccccc1 ZINC000178009446 333000757 /nfs/dbraw/zinc/00/07/57/333000757.db2.gz JAACGZDEXYYMBT-HXUWFJFHSA-N 1 0 305.425 3.961 10 0 DHAERO Cc1ccc([C@H]([NH2+]CCNC(=O)C2CC2)c2ccccc2)c(C)c1 ZINC000179988888 333026624 /nfs/dbraw/zinc/02/66/24/333026624.db2.gz ZRYAKGUWYALRBA-HXUWFJFHSA-N 1 0 322.452 3.509 10 0 DHAERO C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccncc1 ZINC000180156860 333026980 /nfs/dbraw/zinc/02/69/80/333026980.db2.gz IAGIPILRKZJYBB-LRGNLBRXSA-N 1 0 321.468 3.643 10 0 DHAERO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1F ZINC000183213080 333053042 /nfs/dbraw/zinc/05/30/42/333053042.db2.gz ZYJRDIXLAASEJV-GUYCJALGSA-N 1 0 304.384 3.918 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)CC2 ZINC000171981363 333056825 /nfs/dbraw/zinc/05/68/25/333056825.db2.gz CIQKSSDKIGIMFG-OLZOCXBDSA-N 1 0 318.852 3.721 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000171981320 333056937 /nfs/dbraw/zinc/05/69/37/333056937.db2.gz CMMSWGLJQCQJBH-WFASDCNBSA-N 1 0 318.852 3.721 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)CC2 ZINC000171981352 333056949 /nfs/dbraw/zinc/05/69/49/333056949.db2.gz CIQKSSDKIGIMFG-QWHCGFSZSA-N 1 0 318.852 3.721 10 0 DHAERO Cc1cc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c(C)s1 ZINC000188108614 333241418 /nfs/dbraw/zinc/24/14/18/333241418.db2.gz LXOVORQRIWAIDO-HOTGVXAUSA-N 1 0 307.484 3.634 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000390577068 333302619 /nfs/dbraw/zinc/30/26/19/333302619.db2.gz GDIQFAWUHLEDFL-LSDHHAIUSA-N 1 0 313.397 3.671 10 0 DHAERO [NH3+]CC1(CC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000185346057 333369382 /nfs/dbraw/zinc/36/93/82/333369382.db2.gz IURKUXVHEWMSNX-OLZOCXBDSA-N 1 0 320.399 3.523 10 0 DHAERO [NH3+]CC1(CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 ZINC000185346023 333369468 /nfs/dbraw/zinc/36/94/68/333369468.db2.gz IURKUXVHEWMSNX-STQMWFEESA-N 1 0 320.399 3.523 10 0 DHAERO [NH3+]CC1(CC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000185346038 333369516 /nfs/dbraw/zinc/36/95/16/333369516.db2.gz IURKUXVHEWMSNX-CHWSQXEVSA-N 1 0 320.399 3.523 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C12CCOCC2 ZINC000186414358 333373419 /nfs/dbraw/zinc/37/34/19/333373419.db2.gz RNZXVJOGGGCCBI-XWTMOSNGSA-N 1 0 307.478 3.519 10 0 DHAERO CCC[C@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1ccsc1 ZINC000187777423 334272970 /nfs/dbraw/zinc/27/29/70/334272970.db2.gz PVWKNPPWEZINOJ-GJZGRUSLSA-N 1 0 318.490 3.909 10 0 DHAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000303202610 334304311 /nfs/dbraw/zinc/30/43/11/334304311.db2.gz FNVMPKZWHJJIDW-LSJNQWAISA-N 1 0 311.425 3.687 10 0 DHAERO COc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)s2)c1 ZINC000049129542 334315122 /nfs/dbraw/zinc/31/51/22/334315122.db2.gz ZNNMOGWXDCINIU-SNVBAGLBSA-N 1 0 324.833 3.699 10 0 DHAERO C[C@@H]([NH2+]CC(=O)NC1CCCCC1)c1ccc(Cl)s1 ZINC000049129636 334315183 /nfs/dbraw/zinc/31/51/83/334315183.db2.gz USNLTEQQDUTYHH-SNVBAGLBSA-N 1 0 300.855 3.501 10 0 DHAERO Cc1cc(OCC[NH+]2CCC([C@@H](C)O)CC2)ccc1C(C)C ZINC000111286640 334322890 /nfs/dbraw/zinc/32/28/90/334322890.db2.gz LYXHFRMALXPEAF-MRXNPFEDSA-N 1 0 305.462 3.590 10 0 DHAERO COc1ccc([C@@H](C)C[NH2+][C@@H](C)c2ccncc2OC)cc1 ZINC000189563750 334900710 /nfs/dbraw/zinc/90/07/10/334900710.db2.gz XKUVEUYFPIIPEF-KBPBESRZSA-N 1 0 300.402 3.553 10 0 DHAERO CO[C@]1(C)C[C@H]([NH2+][C@H]2CCC(=O)Nc3ccccc32)C1(C)C ZINC000329634624 336020648 /nfs/dbraw/zinc/02/06/48/336020648.db2.gz XQUWZVQPQWXWDI-RLFYNMQTSA-N 1 0 302.418 3.903 10 0 DHAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1CCSCc1ccccc1 ZINC000192673989 336258522 /nfs/dbraw/zinc/25/85/22/336258522.db2.gz METQSQZFGGETMQ-KRWDZBQOSA-N 1 0 301.459 3.870 10 0 DHAERO CC(C)c1ccc([C@H](C)NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000192772660 336261409 /nfs/dbraw/zinc/26/14/09/336261409.db2.gz ATBVLUDCXSADGL-KXBFYZLASA-N 1 0 310.441 3.557 10 0 DHAERO Cc1cccc2c(NCCC(=O)Nc3ccccc3)cc[nH+]c12 ZINC000301687606 336323565 /nfs/dbraw/zinc/32/35/65/336323565.db2.gz VDKHHLRYOZTXKO-UHFFFAOYSA-N 1 0 305.381 3.984 10 0 DHAERO CCS[C@@H]1CC[C@@]1(O)CNc1cc(CC)[nH+]c2ccccc12 ZINC000301793255 336330281 /nfs/dbraw/zinc/33/02/81/336330281.db2.gz OMOJBYIDCZSMIW-QZTJIDSGSA-N 1 0 316.470 3.856 10 0 DHAERO CC(C)C[N@@H+]1CCC[C@H]1CNc1nc(C(F)(F)F)cs1 ZINC000301864331 336334958 /nfs/dbraw/zinc/33/49/58/336334958.db2.gz UTUFTUIJLRRAJR-JTQLQIEISA-N 1 0 307.385 3.694 10 0 DHAERO Cc1cccc(NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH+]1 ZINC000302233578 336355473 /nfs/dbraw/zinc/35/54/73/336355473.db2.gz FZTWSJHEKFBNHU-HNNXBMFYSA-N 1 0 319.449 3.839 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(C)c(Cl)c3)C2)no1 ZINC000193856900 337079762 /nfs/dbraw/zinc/07/97/62/337079762.db2.gz QYZYMUBHMRWSDP-AWEZNQCLSA-N 1 0 319.836 3.795 10 0 DHAERO CCOCCN1CC[N@H+](CC[C@@H](C)c2ccccc2)C[C@@H]1CC ZINC000193900809 337080020 /nfs/dbraw/zinc/08/00/20/337080020.db2.gz DRXDNJKLVFDZRD-QUCCMNQESA-N 1 0 318.505 3.613 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000193988598 337081014 /nfs/dbraw/zinc/08/10/14/337081014.db2.gz YDWSVOIHROEVBO-CMPLNLGQSA-N 1 0 317.296 3.646 10 0 DHAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccn(C(C)C)n2)C12CCCC2 ZINC000172670150 337129355 /nfs/dbraw/zinc/12/93/55/337129355.db2.gz PSRAURWHLXTGIS-DLBZAZTESA-N 1 0 305.466 3.634 10 0 DHAERO Cc1csc([C@H]2CCC[N@H+](C[C@H](O)c3ccc(C)cc3)C2)n1 ZINC000174764146 337143447 /nfs/dbraw/zinc/14/34/47/337143447.db2.gz VMODKKUXDQLWPT-IRXDYDNUSA-N 1 0 316.470 3.673 10 0 DHAERO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1cccc(O)c1 ZINC000177299383 337156767 /nfs/dbraw/zinc/15/67/67/337156767.db2.gz YQGZJGPKGCDOEG-HUUCEWRRSA-N 1 0 307.397 3.990 10 0 DHAERO CCn1c(C)nnc1C[N@@H+]1CCC[C@H]1CCC1CCCCC1 ZINC000178547991 337163601 /nfs/dbraw/zinc/16/36/01/337163601.db2.gz VBFWAXRTMYXVNE-KRWDZBQOSA-N 1 0 304.482 3.931 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCSc1ccccc1F ZINC000178321953 337163978 /nfs/dbraw/zinc/16/39/78/337163978.db2.gz XQTZVRMSADHEIX-OAHLLOKOSA-N 1 0 319.449 3.587 10 0 DHAERO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000179530478 337170148 /nfs/dbraw/zinc/17/01/48/337170148.db2.gz ZIAJKOCBYLYJOJ-ZRNYNZGJSA-N 1 0 324.472 3.710 10 0 DHAERO Cn1cc([C@H]2CC[N@H+](C/C=C/c3ccc(Cl)cc3)C2)cn1 ZINC000179806600 337171883 /nfs/dbraw/zinc/17/18/83/337171883.db2.gz NQAVGRZUFARLMO-FAAWYNLUSA-N 1 0 301.821 3.576 10 0 DHAERO Cc1nc(C[C@H]2CCC[N@H+](CC(C)(C)c3ccccc3)C2)no1 ZINC000179999704 337173046 /nfs/dbraw/zinc/17/30/46/337173046.db2.gz YRQRFVORYHIRAJ-MRXNPFEDSA-N 1 0 313.445 3.610 10 0 DHAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc3c(c1)CCC3)CC2 ZINC000180637746 337176768 /nfs/dbraw/zinc/17/67/68/337176768.db2.gz GAVLKRCWUVAUQS-KDOFPFPSSA-N 1 0 324.472 3.556 10 0 DHAERO CCn1cc(C2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)cn1 ZINC000181046825 337179398 /nfs/dbraw/zinc/17/93/98/337179398.db2.gz DPNLTQMOFMINRW-CQSZACIVSA-N 1 0 324.428 3.985 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181101678 337179801 /nfs/dbraw/zinc/17/98/01/337179801.db2.gz DOTHRXKMTYIKNV-LSDHHAIUSA-N 1 0 324.428 3.985 10 0 DHAERO c1ccc2c(c1)OC1(CCCC1)C[C@@H]2[NH2+][C@@H]1CCCOCC1 ZINC000181370462 337181800 /nfs/dbraw/zinc/18/18/00/337181800.db2.gz GGVGSEAYIILVGL-WBVHZDCISA-N 1 0 301.430 3.982 10 0 DHAERO Cc1csc([C@H]2CCC[N@H+](CCCC(=O)OC(C)(C)C)C2)n1 ZINC000181651778 337183626 /nfs/dbraw/zinc/18/36/26/337183626.db2.gz MSSQTLBOQDUPNC-AWEZNQCLSA-N 1 0 324.490 3.753 10 0 DHAERO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1cccs1 ZINC000182656797 337189383 /nfs/dbraw/zinc/18/93/83/337189383.db2.gz RWIQUWNHJLKLSS-OAHLLOKOSA-N 1 0 316.470 3.836 10 0 DHAERO CCCC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186073158 337253330 /nfs/dbraw/zinc/25/33/30/337253330.db2.gz YXAUJXHTPGGYQJ-OAHLLOKOSA-N 1 0 320.234 3.718 10 0 DHAERO Cc1nc2n(n1)CCC[C@H]2N[C@@H]1CCCc2c(C)ccc(C)c21 ZINC000186219849 337254754 /nfs/dbraw/zinc/25/47/54/337254754.db2.gz VZBZERTXMDAVMX-IAGOWNOFSA-N 1 0 310.445 3.705 10 0 DHAERO Cc1csc([C@@H]2CCC[N@H+](Cc3ccc(C)nc3C)C2)n1 ZINC000186909570 337260342 /nfs/dbraw/zinc/26/03/42/337260342.db2.gz XAVRIZYHWLYYGI-MRXNPFEDSA-N 1 0 301.459 3.843 10 0 DHAERO C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188062228 337270340 /nfs/dbraw/zinc/27/03/40/337270340.db2.gz IGIXBRUVBJISSJ-VMGRFDJRSA-N 1 0 305.418 3.656 10 0 DHAERO Cc1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c(C)c1 ZINC000190298444 337286511 /nfs/dbraw/zinc/28/65/11/337286511.db2.gz NVHBAMWJAXDEHL-ROUUACIJSA-N 1 0 301.455 3.573 10 0 DHAERO COc1ccc(Cl)c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000192058433 337302274 /nfs/dbraw/zinc/30/22/74/337302274.db2.gz SJMQLTXHSMWJEA-HNNXBMFYSA-N 1 0 319.836 3.518 10 0 DHAERO C[C@@H](N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000584614401 337372662 /nfs/dbraw/zinc/37/26/62/337372662.db2.gz HOBKROOOALTDOO-WOUAJJJCSA-N 1 0 324.472 3.789 10 0 DHAERO C[NH+](C)CCCSc1ccccc1NC(=O)c1ccccc1 ZINC000584592347 337373594 /nfs/dbraw/zinc/37/35/94/337373594.db2.gz ASMAUIHPPHZTMB-UHFFFAOYSA-N 1 0 314.454 3.983 10 0 DHAERO CCOC(=O)C[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1 ZINC000584596113 337374063 /nfs/dbraw/zinc/37/40/63/337374063.db2.gz ZMGYJDQIBLAWDA-LJQANCHMSA-N 1 0 311.425 3.731 10 0 DHAERO COc1ccc([C@@H](O)CC[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000584595933 337374133 /nfs/dbraw/zinc/37/41/33/337374133.db2.gz BBJFAPGHZCVAJE-BTCBHJBXSA-N 1 0 315.457 3.677 10 0 DHAERO COc1cc2c(cc1OC)[C@@H]1C[C@H](c3ccccc3)C[N@@H+]1CC2 ZINC000584649273 337380542 /nfs/dbraw/zinc/38/05/42/337380542.db2.gz GGMQYTBZZVMOEE-WMZOPIPTSA-N 1 0 309.409 3.791 10 0 DHAERO CCn1cc(C2CC[NH+](CCCOc3ccccc3)CC2)cn1 ZINC000195499946 337467162 /nfs/dbraw/zinc/46/71/62/337467162.db2.gz GNCDOSVCVCVMEE-UHFFFAOYSA-N 1 0 313.445 3.552 10 0 DHAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000261654565 337607421 /nfs/dbraw/zinc/60/74/21/337607421.db2.gz DUOBMEGUPYKGTI-CZUORRHYSA-N 1 0 320.864 3.601 10 0 DHAERO c1ccc2c(c1)cccc2-c1noc(C[C@@H]2CCC[NH2+]CC2)n1 ZINC000261672964 337608441 /nfs/dbraw/zinc/60/84/41/337608441.db2.gz GISYLPISTRXLHY-CQSZACIVSA-N 1 0 307.397 3.822 10 0 DHAERO C[C@@H]([NH3+])CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000261883189 337612074 /nfs/dbraw/zinc/61/20/74/337612074.db2.gz UOLDIKAFAPOZFG-YGRLFVJLSA-N 1 0 316.367 3.646 10 0 DHAERO C[C@H](Oc1ccccc1NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000262552684 337619182 /nfs/dbraw/zinc/61/91/82/337619182.db2.gz OXYKTDFUDYSJRO-GJZGRUSLSA-N 1 0 324.424 3.621 10 0 DHAERO C[NH2+]Cc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000036282705 337747373 /nfs/dbraw/zinc/74/73/73/337747373.db2.gz WZYMHHHQJOORHB-UHFFFAOYSA-N 1 0 309.196 3.965 10 0 DHAERO Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000194285698 338070767 /nfs/dbraw/zinc/07/07/67/338070767.db2.gz ITIRLBPINDWMFO-HNNXBMFYSA-N 1 0 310.397 3.725 10 0 DHAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(Cl)c2)C12CCOCC2 ZINC000195450416 338900349 /nfs/dbraw/zinc/90/03/49/338900349.db2.gz DWTBULHFORBCFN-IRXDYDNUSA-N 1 0 323.864 3.712 10 0 DHAERO C[C@H]([NH2+]CCCC(C)(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400327810 340143732 /nfs/dbraw/zinc/14/37/32/340143732.db2.gz AXZQKXSNJHNCEZ-STQMWFEESA-N 1 0 320.424 3.657 10 0 DHAERO C[C@H]([NH2+][C@H]1CC12CCCC2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447027 340146594 /nfs/dbraw/zinc/14/65/94/340146594.db2.gz PXCIMATYAWBROZ-KKUMJFAQSA-N 1 0 308.466 3.554 10 0 DHAERO CCO[C@H]1C[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C12CCOCC2 ZINC000186296786 340510687 /nfs/dbraw/zinc/51/06/87/340510687.db2.gz DRJBKDANVODFJY-MOPGFXCFSA-N 1 0 317.473 3.676 10 0 DHAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(F)(F)F)cc1 ZINC000189310954 340533519 /nfs/dbraw/zinc/53/35/19/340533519.db2.gz IZYFOODOPCZTSK-DOMZBBRYSA-N 1 0 303.368 3.849 10 0 DHAERO C[C@@H](C(=O)N[C@@H](C)c1ccccc1Cl)[C@@H]([NH3+])c1ccccc1 ZINC000237495724 340671490 /nfs/dbraw/zinc/67/14/90/340671490.db2.gz MTVKTBRFZXUBTD-IIYDPXPESA-N 1 0 316.832 3.853 10 0 DHAERO CC(C)OCCC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134847593 341225102 /nfs/dbraw/zinc/22/51/02/341225102.db2.gz FFBLSNYPEUQCDK-QGZVFWFLSA-N 1 0 307.409 3.678 10 0 DHAERO C[C@]1(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCCC[NH2+]1 ZINC000136150205 341253763 /nfs/dbraw/zinc/25/37/63/341253763.db2.gz XLUAFVSCGUGIHU-CZUORRHYSA-N 1 0 324.877 3.525 10 0 DHAERO c1ccc(COc2ccc(CC[NH2+][C@@H]3CCC[NH2+]CC3)cc2)cc1 ZINC000261542166 341295564 /nfs/dbraw/zinc/29/55/64/341295564.db2.gz BWWSPDTYHQOWQD-HXUWFJFHSA-N 1 0 324.468 3.540 10 0 DHAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000246389230 341347018 /nfs/dbraw/zinc/34/70/18/341347018.db2.gz KMCGMEXZIQTNNF-WMLDXEAASA-N 1 0 317.477 3.834 10 0 DHAERO CCc1cccc(CC)c1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246432449 341348627 /nfs/dbraw/zinc/34/86/27/341348627.db2.gz NIIGQHTVYIAICU-PBHICJAKSA-N 1 0 317.477 3.662 10 0 DHAERO CC(C)C[C@H](CO)[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000246825090 341357360 /nfs/dbraw/zinc/35/73/60/341357360.db2.gz BJYVFYNFVKIZAM-MELADBBJSA-N 1 0 306.475 3.785 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cc(Br)ccc1F ZINC000248061968 341372934 /nfs/dbraw/zinc/37/29/34/341372934.db2.gz LWMHWEMSCWUKSY-QCZZGDTMSA-N 1 0 316.214 3.542 10 0 DHAERO CC1(C)[C@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)[C@@H]2CCO[C@H]21 ZINC000248186671 341374508 /nfs/dbraw/zinc/37/45/08/341374508.db2.gz XLNWAVLUGHDCTL-XJNFMUPTSA-N 1 0 319.420 3.831 10 0 DHAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000248450697 341378104 /nfs/dbraw/zinc/37/81/04/341378104.db2.gz FRMOLTXTTCUQPY-ZACQAIPSSA-N 1 0 316.493 3.968 10 0 DHAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)CCCS2 ZINC000249213384 341395432 /nfs/dbraw/zinc/39/54/32/341395432.db2.gz ZBMAZGFCMYDSGX-KBRIMQKVSA-N 1 0 321.486 3.763 10 0 DHAERO Brc1cccc(C2CC([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)C2)c1 ZINC000132057261 518219601 /nfs/dbraw/zinc/21/96/01/518219601.db2.gz OLFXJGQJRFODHU-LBCMLLALSA-N 1 0 322.246 3.605 10 0 DHAERO CC(C)c1nnc(C[NH2+][C@H](c2ccccc2)C2CCCC2)n1C ZINC000171943578 519888094 /nfs/dbraw/zinc/88/80/94/519888094.db2.gz NYKPSXMOBOQESH-GOSISDBHSA-N 1 0 312.461 3.960 10 0 DHAERO CCCc1cc(N2CCC[C@@H](n3cncn3)C2)c2ccccc2[nH+]1 ZINC000124787801 521368684 /nfs/dbraw/zinc/36/86/84/521368684.db2.gz TXQRZVRBUOXFQI-MRXNPFEDSA-N 1 0 321.428 3.620 10 0 DHAERO CCCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000189962434 521423584 /nfs/dbraw/zinc/42/35/84/521423584.db2.gz DYFJKGBNSDBRDX-MRXNPFEDSA-N 1 0 317.477 3.930 10 0 DHAERO CCc1nc2n(n1)CCC[C@H]2[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000188142274 522518793 /nfs/dbraw/zinc/51/87/93/522518793.db2.gz FAXIQVXFPSBNET-SWLSCSKDSA-N 1 0 318.852 3.722 10 0 DHAERO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000154562768 522933259 /nfs/dbraw/zinc/93/32/59/522933259.db2.gz SZICQUGAVBFSMX-DOTOQJQBSA-N 1 0 316.424 3.768 10 0 DHAERO CC[C@@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1ccc(C)cc1 ZINC000180522282 522952922 /nfs/dbraw/zinc/95/29/22/522952922.db2.gz GGXHFBKQCQQSJO-DLBZAZTESA-N 1 0 312.461 3.766 10 0 DHAERO CN(Cc1ccc(Br)cc1Cl)CC(C)(C)C[NH3+] ZINC000157336007 523200525 /nfs/dbraw/zinc/20/05/25/523200525.db2.gz QDOUUKAGSSMRNR-UHFFFAOYSA-N 1 0 319.674 3.519 10 0 DHAERO COc1ccccc1C[C@@H]([NH2+]CCCc1c[nH]nc1C)C(C)C ZINC000133096619 524502732 /nfs/dbraw/zinc/50/27/32/524502732.db2.gz YDDDPGOYHNHHHB-GOSISDBHSA-N 1 0 315.461 3.516 10 0 DHAERO C[C@H]([NH2+]C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccccn1 ZINC000181804549 525383982 /nfs/dbraw/zinc/38/39/82/525383982.db2.gz BEVHKFNEXZUZQN-WFASDCNBSA-N 1 0 315.804 3.579 10 0 DHAERO Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC000237813346 525473224 /nfs/dbraw/zinc/47/32/24/525473224.db2.gz ABWKFDIEWZAOSC-CABCVRRESA-N 1 0 310.397 3.853 10 0 DHAERO C[C@@H]([NH2+]C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccnc1 ZINC000181656188 525478129 /nfs/dbraw/zinc/47/81/29/525478129.db2.gz WKTDRHDKHKDGNG-WBMJQRKESA-N 1 0 315.804 3.579 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCc2ccc(Br)cc21)[C@H]1CCCO1 ZINC000193158421 525582421 /nfs/dbraw/zinc/58/24/21/525582421.db2.gz BLRCDHURQOXFSM-COLVAYQJSA-N 1 0 310.235 3.594 10 0 DHAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)N(C)c2ccccc2)o1 ZINC000158175794 525744714 /nfs/dbraw/zinc/74/47/14/525744714.db2.gz HPQMKVLDDDLNHT-UKRRQHHQSA-N 1 0 300.402 3.680 10 0 DHAERO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000181048755 526179023 /nfs/dbraw/zinc/17/90/23/526179023.db2.gz VGNMEKLVSFDXSO-CYBMUJFWSA-N 1 0 310.401 3.502 10 0 DHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nnc(C(C)C)n3C1)[C@@H](C)C2 ZINC000181091093 526212353 /nfs/dbraw/zinc/21/23/53/526212353.db2.gz PBEXEBPDXFVHAQ-ZSZQSSIHSA-N 1 0 324.472 3.548 10 0 DHAERO O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000180240430 526293963 /nfs/dbraw/zinc/29/39/63/526293963.db2.gz VUJQZKAQYWXFHA-UYAOXDASSA-N 1 0 321.424 3.651 10 0 DHAERO Cc1oc2nc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)nc(N)c2c1C ZINC000246858018 526791215 /nfs/dbraw/zinc/79/12/15/526791215.db2.gz UEXOUPCRPHCBKJ-ZIAGYGMSSA-N 1 0 314.433 3.576 10 0 DHAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cccc(-c3cccnc3)c2)cn1 ZINC000131869359 527317883 /nfs/dbraw/zinc/31/78/83/527317883.db2.gz RTVUYAVGNPKRJH-HXUWFJFHSA-N 1 0 318.424 3.819 10 0 DHAERO CC(C)c1noc([C@@H]([NH2+]C2CCCCC2)C2CCOCC2)n1 ZINC000328624471 563929869 /nfs/dbraw/zinc/92/98/69/563929869.db2.gz JYLBOFNTFMASRK-HNNXBMFYSA-N 1 0 307.438 3.583 10 0 DHAERO CN(C(=O)Cc1ccccc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000000005739 563211120 /nfs/dbraw/zinc/21/11/20/563211120.db2.gz OVZWUDZIAAHNFG-HXUWFJFHSA-N 1 0 322.452 3.525 10 0 in-vitro DHAERO C[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)[NH2+]CCc1ccsc12 ZINC000712521437 563321328 /nfs/dbraw/zinc/32/13/28/563321328.db2.gz AHMNBSNWKICZEC-SJCJKPOMSA-N 1 0 322.474 3.509 10 0 DHAERO C[C@@H]1CC=C(NC(=O)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000095347737 563528946 /nfs/dbraw/zinc/52/89/46/563528946.db2.gz RMTCVLGVWGLHPG-MRXNPFEDSA-N 1 0 306.409 3.595 10 0 DHAERO COCC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010475325 563649183 /nfs/dbraw/zinc/64/91/83/563649183.db2.gz JFXQEDTUVJRBHT-UHFFFAOYSA-N 1 0 305.805 3.655 10 0 DHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1cccc(Cl)c1 ZINC000675052429 563780565 /nfs/dbraw/zinc/78/05/65/563780565.db2.gz AFUBPSKHCFJUFG-ZIAGYGMSSA-N 1 0 310.825 3.739 10 0 DHAERO Cc1cc([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)ccc1F ZINC000675053100 563856567 /nfs/dbraw/zinc/85/65/67/563856567.db2.gz FUPPQOWSKUTMEF-HIFRSBDPSA-N 1 0 308.397 3.533 10 0 DHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000675053108 563856630 /nfs/dbraw/zinc/85/66/30/563856630.db2.gz FVHBBNIUEMMMEE-FZMZJTMJSA-N 1 0 310.825 3.658 10 0 DHAERO COc1ccc(-[n+]2c(-c3ccccc3)cn3c2SCC3)cc1 ZINC000000389461 563865667 /nfs/dbraw/zinc/86/56/67/563865667.db2.gz IFQRAGMGPIFMDW-UHFFFAOYSA-N 1 0 309.414 3.546 10 0 DHAERO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685953004 563961336 /nfs/dbraw/zinc/96/13/36/563961336.db2.gz RDGBHAQHFTYIEH-XHSDSOJGSA-N 1 0 310.482 3.754 10 0 DHAERO COc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1OC ZINC000092788748 1032510293 /nfs/dbraw/zinc/51/02/93/1032510293.db2.gz KVMGNAWJAPTVGK-AWEZNQCLSA-N 1 0 318.442 3.540 10 0 DHAERO Oc1cccc(C[NH+]2CCC(Nc3ccccc3F)CC2)c1 ZINC000093607960 1032547649 /nfs/dbraw/zinc/54/76/49/1032547649.db2.gz WIFWJWZPAPSHRG-UHFFFAOYSA-N 1 0 300.377 3.608 10 0 DHAERO COc1ccc([C@@H]2C[C@@H](C)N(Cc3nccn3C(F)F)C2)cc1 ZINC000076390375 1030788752 /nfs/dbraw/zinc/78/87/52/1030788752.db2.gz BRUTYWSNOPWNCJ-TZMCWYRMSA-N 1 0 321.371 3.665 10 0 DHAERO CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2OC)no1 ZINC000061757068 1033392093 /nfs/dbraw/zinc/39/20/93/1033392093.db2.gz NHUGNQBSJAMIDI-CYBMUJFWSA-N 1 0 301.390 3.510 10 0 DHAERO COCc1nc(CCc2ccccc2)sc1C[NH2+]C(C)C ZINC000082447354 185183850 /nfs/dbraw/zinc/18/38/50/185183850.db2.gz SUBKFLWHZZMTGE-UHFFFAOYSA-N 1 0 304.459 3.573 10 0 DHAERO CC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000082662023 185191595 /nfs/dbraw/zinc/19/15/95/185191595.db2.gz HVBCNRIXQDNYIW-UHFFFAOYSA-N 1 0 303.715 3.654 10 0 DHAERO O=C(c1ccc(Br)c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000082726316 185197464 /nfs/dbraw/zinc/19/74/64/185197464.db2.gz BWEFYCKHIZCNMZ-LLVKDONJSA-N 1 0 318.214 3.785 10 0 DHAERO COc1ccccc1C[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)C(C)C ZINC000090528593 185300499 /nfs/dbraw/zinc/30/04/99/185300499.db2.gz XQIKTSPVQJJECT-KBXCAEBGSA-N 1 0 315.461 3.515 10 0 DHAERO CCc1csc([C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)n1 ZINC000092789217 185341624 /nfs/dbraw/zinc/34/16/24/185341624.db2.gz SABMVKRWWDQCMI-CQSZACIVSA-N 1 0 302.443 3.791 10 0 DHAERO CC[C@@H]([NH3+])Cc1cc(Cl)c(OC/C=C/Cl)c(OC)c1 ZINC000037723069 190665302 /nfs/dbraw/zinc/66/53/02/190665302.db2.gz BVFRFUXWNFYPTK-SGUJLRQBSA-N 1 0 304.217 3.760 10 0 DHAERO C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000068593000 190777090 /nfs/dbraw/zinc/77/70/90/190777090.db2.gz UCWSKARTULHLTN-ZOBUZTSGSA-N 1 0 318.461 3.810 10 0 DHAERO C[C@@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000138162974 186014553 /nfs/dbraw/zinc/01/45/53/186014553.db2.gz RFSKETHKTZEBGO-BFYDXBDKSA-N 1 0 318.461 3.668 10 0 DHAERO C[C@@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000150718049 186059778 /nfs/dbraw/zinc/05/97/78/186059778.db2.gz OLNDTAYBRWVCBR-QWHCGFSZSA-N 1 0 308.853 3.543 10 0 DHAERO C[C@H]1OP2([NH2+]C3CCCCC3)(O[C@H]1C)O[C@@H](C)[C@H](C)O2 ZINC000005370059 181235265 /nfs/dbraw/zinc/23/52/65/181235265.db2.gz YTFCJLMJAANERZ-ZDEQEGDKSA-N 1 0 305.355 3.685 10 0 DHAERO O[C@@]12CCCC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)[NH2+]CC2 ZINC000005730981 181277771 /nfs/dbraw/zinc/27/77/71/181277771.db2.gz INWMRQARFUAODH-NWANDNLSSA-N 1 0 300.229 3.949 10 0 DHAERO CCC(CC)(NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000236914785 202068753 /nfs/dbraw/zinc/06/87/53/202068753.db2.gz RGPJJDSGIUXJRQ-IUODEOHRSA-N 1 0 308.853 3.599 10 0 DHAERO CCCc1ccc([C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C(C)C)cc1 ZINC000236921445 202071684 /nfs/dbraw/zinc/07/16/84/202071684.db2.gz RXWDRFMMLUFGHG-RCCFBDPRSA-N 1 0 302.462 3.580 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)NCc1ccccc1Sc1ccccc1 ZINC000236967866 202098802 /nfs/dbraw/zinc/09/88/02/202098802.db2.gz OFPKBWMUNIFMDH-MRXNPFEDSA-N 1 0 314.454 3.581 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000236978350 202105674 /nfs/dbraw/zinc/10/56/74/202105674.db2.gz QXXBMLITKMNLFF-KGLIPLIRSA-N 1 0 316.367 3.646 10 0 DHAERO CC(C)C[NH2+]Cc1nccn1Cc1ccc(Cl)c(Cl)c1 ZINC000006689294 181371118 /nfs/dbraw/zinc/37/11/18/181371118.db2.gz DJUGCHLFKHJHJZ-UHFFFAOYSA-N 1 0 312.244 3.984 10 0 DHAERO Cc1cccc2c1C1(C[C@H]2[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000091302965 193035427 /nfs/dbraw/zinc/03/54/27/193035427.db2.gz UQMQQMHXXSGSRR-OAHLLOKOSA-N 1 0 316.445 3.667 10 0 DHAERO Cc1ccc2c(c1)[C@H]([NH3+])CC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000091302966 193035756 /nfs/dbraw/zinc/03/57/56/193035756.db2.gz KGAVNJKNZBBSRY-MRXNPFEDSA-N 1 0 316.445 3.667 10 0 DHAERO Cc1nc(N(C)C)sc1C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000093453582 193254323 /nfs/dbraw/zinc/25/43/23/193254323.db2.gz TVXVCYFRLZXXEF-OAHLLOKOSA-N 1 0 316.474 3.558 10 0 DHAERO FC(F)(F)c1cnc(OCCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000095071972 193416549 /nfs/dbraw/zinc/41/65/49/193416549.db2.gz QSLXHTJIRBBBGT-UHFFFAOYSA-N 1 0 322.758 3.912 10 0 DHAERO COc1cccc(C[C@@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000019516571 182127327 /nfs/dbraw/zinc/12/73/27/182127327.db2.gz WYDYTQZPNDDUFL-OAHLLOKOSA-N 1 0 306.203 3.700 10 0 DHAERO [NH3+]C[C@H](Oc1ccc(Br)cc1)c1ccccc1F ZINC000019671689 182135506 /nfs/dbraw/zinc/13/55/06/182135506.db2.gz GGAMUMCYKHCGEZ-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO [NH3+][C@@H](c1ccc(F)c(F)c1)c1ccc(F)cc1Br ZINC000019968352 182171723 /nfs/dbraw/zinc/17/17/23/182171723.db2.gz NWTXEOVPEJGPAB-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO [NH3+][C@H](c1ccc(F)cc1F)c1cc(Br)ccc1F ZINC000019969030 182171797 /nfs/dbraw/zinc/17/17/97/182171797.db2.gz STFCBRZAWLSZGU-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1)N(C)C ZINC000020145577 182192630 /nfs/dbraw/zinc/19/26/30/182192630.db2.gz XTNUTBTVBBQHEQ-SWLSCSKDSA-N 1 0 313.283 3.686 10 0 DHAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2ccccc2C(F)(F)F)C1 ZINC000020081916 182185072 /nfs/dbraw/zinc/18/50/72/182185072.db2.gz YAJXPLKAAMSQFW-JMSVASOKSA-N 1 0 300.368 3.683 10 0 DHAERO Cc1cccc(CN(C)[C@H](C[NH3+])c2c(F)cccc2Cl)c1 ZINC000020226273 182198775 /nfs/dbraw/zinc/19/87/75/182198775.db2.gz PIUJAEYLJPYMGW-MRXNPFEDSA-N 1 0 306.812 3.919 10 0 DHAERO C[C@@H](C(=O)N(Cc1ccc(Cl)cc1)c1ccccc1)[C@H](C)[NH3+] ZINC000192016004 335022264 /nfs/dbraw/zinc/02/22/64/335022264.db2.gz QLIJUNYNWCJBAN-KGLIPLIRSA-N 1 0 316.832 3.857 10 0 DHAERO CCN(Cc1ccncc1)[C@H]1CCC[N@H+](C/C=C/C(C)C)C1 ZINC000020918341 182253666 /nfs/dbraw/zinc/25/36/66/182253666.db2.gz QTLQRGXCSQZFPI-XZXOBPBMSA-N 1 0 301.478 3.580 10 0 DHAERO CCCOc1ccc(Cl)cc1CNC[C@H]1CCC[N@@H+]1CC ZINC000020967827 182257131 /nfs/dbraw/zinc/25/71/31/182257131.db2.gz PNBCDQZHMVGTSR-MRXNPFEDSA-N 1 0 310.869 3.703 10 0 DHAERO CC[NH+](CC)CCN(C)CCc1ccc(Cl)c(Cl)c1 ZINC000022924829 182341282 /nfs/dbraw/zinc/34/12/82/182341282.db2.gz ZYPGNXDQORXUEH-UHFFFAOYSA-N 1 0 303.277 3.810 10 0 DHAERO [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000023358845 182358524 /nfs/dbraw/zinc/35/85/24/182358524.db2.gz OHYGBKLWBNYXTE-WBVHZDCISA-N 1 0 321.251 3.920 10 0 DHAERO C[C@H]([NH2+]C1CC(c2ccccc2Br)C1)[C@@H]1CCCO1 ZINC000036845141 182848276 /nfs/dbraw/zinc/84/82/76/182848276.db2.gz FVBDXBZSKQSSLJ-ITDKRANNSA-N 1 0 324.262 3.852 10 0 DHAERO NC(=[NH2+])c1ccc(Sc2ccccc2Br)cc1 ZINC000037381252 182885401 /nfs/dbraw/zinc/88/54/01/182885401.db2.gz YJBQHOAHSJXEHA-UHFFFAOYSA-N 1 0 307.216 3.884 10 0 DHAERO Cc1cccc(C[C@@H]([NH3+])Cc2ccc(Br)cc2)c1 ZINC000037533799 182904965 /nfs/dbraw/zinc/90/49/65/182904965.db2.gz FKTCMTRXZJPQGO-INIZCTEOSA-N 1 0 304.231 3.870 10 0 DHAERO CC[NH2+][C@@H](Cc1cccc(Br)c1)C[C@@H]1CCCO1 ZINC000037535181 182905029 /nfs/dbraw/zinc/90/50/29/182905029.db2.gz SNKOEUGYTKKBNS-GJZGRUSLSA-N 1 0 312.251 3.539 10 0 DHAERO NC(=O)[C@@H]([NH2+]C1CCCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000037970756 182945858 /nfs/dbraw/zinc/94/58/58/182945858.db2.gz PNFCRGPDFUXSPD-AWEZNQCLSA-N 1 0 315.244 3.832 10 0 DHAERO Brc1c(OCC[NH2+]C2CC2)ccc2ccccc21 ZINC000038077757 182986157 /nfs/dbraw/zinc/98/61/57/182986157.db2.gz GTPPLOXLIHJUML-UHFFFAOYSA-N 1 0 306.203 3.733 10 0 DHAERO [NH3+]C[C@H](Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000041541266 183200132 /nfs/dbraw/zinc/20/01/32/183200132.db2.gz DNNFXUOEXZEVLK-ZDUSSCGKSA-N 1 0 308.194 3.873 10 0 DHAERO COc1ccc(Cl)cc1C[C@H](C[NH3+])Cc1cccc(F)c1 ZINC000041540962 183200293 /nfs/dbraw/zinc/20/02/93/183200293.db2.gz XHNOTHSPYOYZLN-CYBMUJFWSA-N 1 0 307.796 3.848 10 0 DHAERO [NH3+]C[C@H](Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000041541278 183200473 /nfs/dbraw/zinc/20/04/73/183200473.db2.gz PBNNFMAMUMDDKB-ZDUSSCGKSA-N 1 0 308.194 3.873 10 0 DHAERO COc1ccc(Cl)cc1C[C@H](C[NH3+])Cc1ccc(F)cc1 ZINC000041540970 183200754 /nfs/dbraw/zinc/20/07/54/183200754.db2.gz LEYRZTHQYOTLSY-CYBMUJFWSA-N 1 0 307.796 3.848 10 0 DHAERO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C)C(N)=S ZINC000042444113 183271241 /nfs/dbraw/zinc/27/12/41/183271241.db2.gz JQMRAOWIGGWAJC-VIFPVBQESA-N 1 0 305.274 3.738 10 0 DHAERO CN(Cc1cscn1)[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000042863477 183314859 /nfs/dbraw/zinc/31/48/59/183314859.db2.gz HGJSZIAWTFZPQN-GFCCVEGCSA-N 1 0 316.257 3.582 10 0 DHAERO C[C@@H]([NH3+])[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000042903295 183317216 /nfs/dbraw/zinc/31/72/16/183317216.db2.gz ALAQHZQHFLXOPU-ABAIWWIYSA-N 1 0 306.203 3.916 10 0 DHAERO CC(C)CCO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042957189 183322904 /nfs/dbraw/zinc/32/29/04/183322904.db2.gz GJQOVUNKXYRENS-RISCZKNCSA-N 1 0 300.240 3.900 10 0 DHAERO CC[C@@H]([NH3+])[C@H](SCCOC)c1ccc(Br)cc1 ZINC000042959463 183323707 /nfs/dbraw/zinc/32/37/07/183323707.db2.gz ZSAMGYGLVOMWHR-CHWSQXEVSA-N 1 0 318.280 3.607 10 0 DHAERO Cc1cccc([C@@H](C[NH3+])Oc2cccc(Br)c2)c1 ZINC000042968130 183324259 /nfs/dbraw/zinc/32/42/59/183324259.db2.gz CHRZBGHDAFKUPF-OAHLLOKOSA-N 1 0 306.203 3.836 10 0 DHAERO CCC[N@H+](C(C)C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020353 183328957 /nfs/dbraw/zinc/32/89/57/183328957.db2.gz JIOCXQAEGUULMP-IUODEOHRSA-N 1 0 313.283 3.958 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CC1CC1 ZINC000043021048 183329379 /nfs/dbraw/zinc/32/93/79/183329379.db2.gz GDRNMRKDUUXWMP-HUUCEWRRSA-N 1 0 311.267 3.569 10 0 DHAERO CCc1nccn1[C@@H](c1cccc(Br)c1)[C@@H]([NH3+])CC ZINC000043022273 183329523 /nfs/dbraw/zinc/32/95/23/183329523.db2.gz PEZRNONFRUVMAE-ZFWWWQNUSA-N 1 0 322.250 3.535 10 0 DHAERO [NH3+]C[C@@H](OCc1cccs1)c1cccc(Br)c1 ZINC000043024032 183331176 /nfs/dbraw/zinc/33/11/76/183331176.db2.gz LUIITLDFGBFYCP-CYBMUJFWSA-N 1 0 312.232 3.727 10 0 DHAERO CCc1nccn1[C@H](c1ccccc1Br)[C@H]([NH3+])CC ZINC000043093917 183337033 /nfs/dbraw/zinc/33/70/33/183337033.db2.gz FYLRLYZGQGXLEU-UKRRQHHQSA-N 1 0 322.250 3.535 10 0 DHAERO O=C(Nc1ccc2ccccc2c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104970984 194060630 /nfs/dbraw/zinc/06/06/30/194060630.db2.gz UFOXPSBFPZAAIP-SFHVURJKSA-N 1 0 309.413 3.542 10 0 DHAERO CCC[C@@H](Cc1ccc(OC)c(Br)c1)[NH2+]CC ZINC000049599630 183746961 /nfs/dbraw/zinc/74/69/61/183746961.db2.gz YEQGOKYOOGQMAK-LBPRGKRZSA-N 1 0 300.240 3.778 10 0 DHAERO CCC[NH2+][C@H](CC)Cc1ccc(OC)c(Br)c1 ZINC000049599573 183747125 /nfs/dbraw/zinc/74/71/25/183747125.db2.gz KZZYGEAOWGJNLQ-GFCCVEGCSA-N 1 0 300.240 3.778 10 0 DHAERO CCC[NH2+]C[C@@H](OC(C)C)c1ccccc1Br ZINC000050483640 183787795 /nfs/dbraw/zinc/78/77/95/183787795.db2.gz CJTUXIZQCLVQSY-CQSZACIVSA-N 1 0 300.240 3.915 10 0 DHAERO COCCC[NH2+]C[C@H](C)Sc1ccc(Br)cc1 ZINC000053621156 183908721 /nfs/dbraw/zinc/90/87/21/183908721.db2.gz UIHXGBAYWALEBT-NSHDSACASA-N 1 0 318.280 3.556 10 0 DHAERO [NH3+]C[C@@H](Nc1cccc(F)c1)c1cccc(Br)c1 ZINC000057653636 184043956 /nfs/dbraw/zinc/04/39/56/184043956.db2.gz XADGEBDEAZCRAU-CQSZACIVSA-N 1 0 309.182 3.700 10 0 DHAERO [NH3+]C[C@H](Nc1ccc(F)cc1)c1cccc(Br)c1 ZINC000057653635 184043975 /nfs/dbraw/zinc/04/39/75/184043975.db2.gz CCPYHLDPSORNMC-AWEZNQCLSA-N 1 0 309.182 3.700 10 0 DHAERO [NH3+]C[C@@H](Cc1ccc(Br)cc1)c1cccc(F)c1 ZINC000057735921 184050478 /nfs/dbraw/zinc/05/04/78/184050478.db2.gz ZJWJZFZJTBHNAB-CYBMUJFWSA-N 1 0 308.194 3.873 10 0 DHAERO Cc1ccc(C[NH2+]Cc2ccc(O)c(Br)c2)cc1 ZINC000057942831 184063752 /nfs/dbraw/zinc/06/37/52/184063752.db2.gz RZCHTPNIHIEWHW-UHFFFAOYSA-N 1 0 306.203 3.753 10 0 DHAERO CCC[NH2+][C@H](c1ccc(Br)cc1)C1CCOCC1 ZINC000061671983 184181972 /nfs/dbraw/zinc/18/19/72/184181972.db2.gz GBVXFZQWAHRYLL-OAHLLOKOSA-N 1 0 312.251 3.916 10 0 DHAERO Cc1ccnc(Sc2ccc([C@@H](C)[NH3+])cc2Br)n1 ZINC000061700429 184184011 /nfs/dbraw/zinc/18/40/11/184184011.db2.gz QBZUMJXGUXRDKO-SECBINFHSA-N 1 0 324.247 3.718 10 0 DHAERO Clc1ccc(Br)cc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000061983997 184199760 /nfs/dbraw/zinc/19/97/60/184199760.db2.gz SZMAYGGBEPBQRK-JTQLQIEISA-N 1 0 315.642 3.751 10 0 DHAERO [NH3+][C@@H](c1ccc2c(c1)COC2)c1cc(F)cc(Br)c1 ZINC000062332365 184230881 /nfs/dbraw/zinc/23/08/81/184230881.db2.gz JRWYZSKYXDJUKF-HNNXBMFYSA-N 1 0 322.177 3.667 10 0 DHAERO C[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000062702892 184248382 /nfs/dbraw/zinc/24/83/82/184248382.db2.gz JNZOFWJOQPSAGQ-LBPRGKRZSA-N 1 0 320.230 3.876 10 0 DHAERO C[NH2+]C[C@H]1CCCCN1[C@H](C)c1cccc(Br)c1 ZINC000063166524 184275587 /nfs/dbraw/zinc/27/55/87/184275587.db2.gz JEYWAPRUPINRMR-IUODEOHRSA-N 1 0 311.267 3.584 10 0 DHAERO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000238855922 257260093 /nfs/dbraw/zinc/26/00/93/257260093.db2.gz UCWSKARTULHLTN-HLLBOEOZSA-N 1 0 318.461 3.810 10 0 DHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Br)s2)C[C@H](C)O1 ZINC000282313507 130913744 /nfs/dbraw/zinc/91/37/44/130913744.db2.gz SNCJWVJAPZIJJR-JGPRNRPPSA-N 1 0 318.280 3.804 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000282415355 130919751 /nfs/dbraw/zinc/91/97/51/130919751.db2.gz SITOXXSMNSNAAT-IIMNLJJBSA-N 1 0 315.244 3.701 10 0 DHAERO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000120428307 132141733 /nfs/dbraw/zinc/14/17/33/132141733.db2.gz BOSUYKPELBRRED-ACJLOTCBSA-N 1 0 304.384 3.918 10 0 DHAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000186097488 332914644 /nfs/dbraw/zinc/91/46/44/332914644.db2.gz DJEWFADWILOJTH-SSBXZMBHSA-N 1 0 314.477 3.616 10 0 DHAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C(C)(C)C)cc1 ZINC000261989658 331768827 /nfs/dbraw/zinc/76/88/27/331768827.db2.gz STNXDURRXXLONL-LXZKKBNFSA-N 1 0 302.462 3.679 10 0 DHAERO C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(C(C)(C)C)cc1 ZINC000261989660 331768842 /nfs/dbraw/zinc/76/88/42/331768842.db2.gz STNXDURRXXLONL-QRTARXTBSA-N 1 0 302.462 3.679 10 0 DHAERO COc1ccc([C@@H]([NH2+]C[C@H]2CSCCS2)C2CC2)cc1 ZINC000091368919 331918676 /nfs/dbraw/zinc/91/86/76/331918676.db2.gz LUTCXSBCSNDTOO-HOTGVXAUSA-N 1 0 309.500 3.585 10 0 DHAERO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000130037929 332022133 /nfs/dbraw/zinc/02/21/33/332022133.db2.gz OTUXUFDNDMOTEX-BLLLJJGKSA-N 1 0 302.805 3.923 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@H+](CCCc3cccc(C)c3)C2)no1 ZINC000181080457 332173454 /nfs/dbraw/zinc/17/34/54/332173454.db2.gz IHAORUIPHFAQTI-SFHVURJKSA-N 1 0 313.445 3.574 10 0 DHAERO CC[C@]1(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000215696357 332196730 /nfs/dbraw/zinc/19/67/30/332196730.db2.gz CLUIKQYVMHRRFX-ZUZCIYMTSA-N 1 0 315.244 3.703 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000153808194 332416366 /nfs/dbraw/zinc/41/63/66/332416366.db2.gz MLIMNUIARKGLJM-KBMXLJTQSA-N 1 0 313.388 3.880 10 0 DHAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000261830557 332455380 /nfs/dbraw/zinc/45/53/80/332455380.db2.gz UBAZMNLBYMOMLA-FRFSOERESA-N 1 0 302.462 3.536 10 0 DHAERO CN1C(=O)C[C@H]([NH2+]Cc2cccc(Cl)c2)c2ccccc21 ZINC000053147732 332961767 /nfs/dbraw/zinc/96/17/67/332961767.db2.gz HHWYIXVUGLYMER-HNNXBMFYSA-N 1 0 300.789 3.537 10 0 DHAERO COc1ccc([C@H](C)[NH2+]Cc2ccnc(Cl)c2)cc1OC ZINC000180863427 333028736 /nfs/dbraw/zinc/02/87/36/333028736.db2.gz AJCFZGMKTDZVMD-NSHDSACASA-N 1 0 306.793 3.603 10 0 DHAERO CCn1c(C)nnc1CN[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000179030642 333145344 /nfs/dbraw/zinc/14/53/44/333145344.db2.gz JQTUMXKSYLFZRN-AWEZNQCLSA-N 1 0 300.450 3.656 10 0 DHAERO CCn1cc(C2CC[NH+](CCCc3cccc(F)c3)CC2)cn1 ZINC000182728416 333146799 /nfs/dbraw/zinc/14/67/99/333146799.db2.gz BADOJGIVQKZCAE-UHFFFAOYSA-N 1 0 315.436 3.854 10 0 DHAERO C[C@@H](O)C1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000092969827 333155783 /nfs/dbraw/zinc/15/57/83/333155783.db2.gz OSFUCJHLRYPXRM-GFCCVEGCSA-N 1 0 321.367 3.818 10 0 DHAERO OC[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)C[C@H]1c1ccsc1 ZINC000190291222 333269533 /nfs/dbraw/zinc/26/95/33/333269533.db2.gz LPNMDWAJHBFJRK-DRSFHWEPSA-N 1 0 317.429 3.608 10 0 DHAERO C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccc(Cl)s1 ZINC000185344804 333369467 /nfs/dbraw/zinc/36/94/67/333369467.db2.gz UXDZNFVRWTYARH-NSHDSACASA-N 1 0 314.882 3.878 10 0 DHAERO Cc1ccc([C@H](C)NC(=O)CC2(C[NH3+])CCCCC2)cc1F ZINC000185360014 333369685 /nfs/dbraw/zinc/36/96/85/333369685.db2.gz FANYZRXQPFVDEG-AWEZNQCLSA-N 1 0 306.425 3.611 10 0 DHAERO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049129433 334315058 /nfs/dbraw/zinc/31/50/58/334315058.db2.gz IZKVVBLBHDEOAQ-WDEREUQCSA-N 1 0 302.871 3.603 10 0 DHAERO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049129548 334315137 /nfs/dbraw/zinc/31/51/37/334315137.db2.gz HZLVIYXCVPRDGU-SNVBAGLBSA-N 1 0 324.833 3.699 10 0 DHAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccc(Cl)s1 ZINC000049129554 334315290 /nfs/dbraw/zinc/31/52/90/334315290.db2.gz LZYCCIYMQZVGGQ-SECBINFHSA-N 1 0 312.797 3.830 10 0 DHAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000101563251 334327332 /nfs/dbraw/zinc/32/73/32/334327332.db2.gz FOCSGKLGHSREKN-HNNXBMFYSA-N 1 0 316.470 3.782 10 0 DHAERO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000124172780 334740956 /nfs/dbraw/zinc/74/09/56/334740956.db2.gz DQBUHOHBVCQNLJ-DLBZAZTESA-N 1 0 300.446 3.951 10 0 DHAERO Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(Cl)c1 ZINC000191158182 335624534 /nfs/dbraw/zinc/62/45/34/335624534.db2.gz PIZGZNZPZIIFJH-KRWDZBQOSA-N 1 0 316.832 3.681 10 0 DHAERO O[C@H]1CCCC[C@H]1[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000051997216 335783202 /nfs/dbraw/zinc/78/32/02/335783202.db2.gz KYQRXYARADNARO-GDVJOBBMSA-N 1 0 324.262 3.588 10 0 DHAERO COC(=O)C1CCC([NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000192438533 336032422 /nfs/dbraw/zinc/03/24/22/336032422.db2.gz WVRHTYKEOGCJRK-KPPDAEKUSA-N 1 0 301.839 3.784 10 0 DHAERO Cc1cccc2c(NCc3cn(-c4ccccc4)nn3)cc[nH+]c12 ZINC000301650807 336320705 /nfs/dbraw/zinc/32/07/05/336320705.db2.gz GCAFTWLUGWWJIX-UHFFFAOYSA-N 1 0 315.380 3.736 10 0 DHAERO CCS[C@H]1CC[C@]1(O)CNc1cc(C)[nH+]c2ccc(F)cc12 ZINC000301653321 336320980 /nfs/dbraw/zinc/32/09/80/336320980.db2.gz HBENOAQATWGWJE-IRXDYDNUSA-N 1 0 320.433 3.741 10 0 DHAERO Cc1cccc2c(NC[C@H](C)CC3(C)OCCO3)cc[nH+]c12 ZINC000301671336 336322400 /nfs/dbraw/zinc/32/24/00/336322400.db2.gz NYYUXOJICFYUAO-CYBMUJFWSA-N 1 0 300.402 3.744 10 0 DHAERO Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)c2ccccc2[nH+]1 ZINC000301779756 336329280 /nfs/dbraw/zinc/32/92/80/336329280.db2.gz MROGQAIYGWQJLZ-INIZCTEOSA-N 1 0 309.457 3.996 10 0 DHAERO CC(C)(C)c1nnc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)s1 ZINC000301981631 336341185 /nfs/dbraw/zinc/34/11/85/336341185.db2.gz IVCXSPKVFZEOPU-CQSZACIVSA-N 1 0 322.522 3.680 10 0 DHAERO CCOC(=O)[C@@]1(C)CCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000302089425 336348006 /nfs/dbraw/zinc/34/80/06/336348006.db2.gz OQNLDJSTWZSGOV-IBGZPJMESA-N 1 0 312.413 3.631 10 0 DHAERO CCc1cc(NCc2ccc(C(=O)OC)o2)c2ccccc2[nH+]1 ZINC000302644248 336363274 /nfs/dbraw/zinc/36/32/74/336363274.db2.gz ACWZIQUASZFORF-UHFFFAOYSA-N 1 0 310.353 3.789 10 0 DHAERO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1C[C@@H]1C ZINC000105437788 336387504 /nfs/dbraw/zinc/38/75/04/336387504.db2.gz RIRVTVQNYBNAKC-GTNSWQLSSA-N 1 0 303.837 3.700 10 0 DHAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000193357573 336701464 /nfs/dbraw/zinc/70/14/64/336701464.db2.gz BCYDNUVUPAIVLD-WCQYABFASA-N 1 0 320.260 3.822 10 0 DHAERO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CCS1 ZINC000171694938 337088590 /nfs/dbraw/zinc/08/85/90/337088590.db2.gz GFSWMQCKZUYSOH-CQSZACIVSA-N 1 0 314.454 3.606 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2ccccc21 ZINC000175003489 337143928 /nfs/dbraw/zinc/14/39/28/337143928.db2.gz AAWQWBACTULOCU-IAGOWNOFSA-N 1 0 308.425 3.539 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1csc(-c2ccsc2)n1 ZINC000175347232 337145390 /nfs/dbraw/zinc/14/53/90/337145390.db2.gz QZMRAUGPOLYUAR-HNNXBMFYSA-N 1 0 321.515 3.788 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C(F)F)c1 ZINC000176336393 337150956 /nfs/dbraw/zinc/15/09/56/337150956.db2.gz RJGWCMCFPIJTAE-CQSZACIVSA-N 1 0 311.376 3.572 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1Cl ZINC000176975942 337154018 /nfs/dbraw/zinc/15/40/18/337154018.db2.gz XDMRYKBQUTWCPI-GFCCVEGCSA-N 1 0 315.244 3.550 10 0 DHAERO Cc1nccn1C[C@H]1CCCN1C(=O)CCC1CCCCC1 ZINC000177190060 337154528 /nfs/dbraw/zinc/15/45/28/337154528.db2.gz XBKVEDMYPSKCLT-QGZVFWFLSA-N 1 0 303.450 3.543 10 0 DHAERO CCc1cccc(C)c1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000177497514 337156322 /nfs/dbraw/zinc/15/63/22/337156322.db2.gz YRTORMPLGAUCIQ-DLBZAZTESA-N 1 0 315.461 3.648 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000178313551 337163812 /nfs/dbraw/zinc/16/38/12/337163812.db2.gz RJYRYSWNBFKJRG-MRXNPFEDSA-N 1 0 323.362 3.875 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cccn1CCC(C)C ZINC000180134058 337171628 /nfs/dbraw/zinc/17/16/28/337171628.db2.gz QNTDOOKVENXGSO-LJQANCHMSA-N 1 0 314.477 3.704 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccccc1)C(C)C)CC2 ZINC000180169662 337175185 /nfs/dbraw/zinc/17/51/85/337175185.db2.gz HYCXGXTXRDNNQV-SJLPKXTDSA-N 1 0 312.461 3.703 10 0 DHAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c(C)s1 ZINC000180635453 337176770 /nfs/dbraw/zinc/17/67/70/337176770.db2.gz UDJJFAQMCBWCFQ-TZMCWYRMSA-N 1 0 318.490 3.745 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1cccs1 ZINC000180634927 337176791 /nfs/dbraw/zinc/17/67/91/337176791.db2.gz AMCPSHXMVATZTG-OLZOCXBDSA-N 1 0 304.463 3.519 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1cccs1 ZINC000180634976 337176849 /nfs/dbraw/zinc/17/68/49/337176849.db2.gz AMCPSHXMVATZTG-STQMWFEESA-N 1 0 304.463 3.519 10 0 DHAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc3ccccc3o1)CC2 ZINC000180645893 337176888 /nfs/dbraw/zinc/17/68/88/337176888.db2.gz JIWCLKICUSUSIT-ZFWWWQNUSA-N 1 0 324.428 3.813 10 0 DHAERO c1ccc2c(c1)OC1(CCCC1)C[C@H]2[NH2+][C@H]1CCCOCC1 ZINC000181370480 337181661 /nfs/dbraw/zinc/18/16/61/337181661.db2.gz GGVGSEAYIILVGL-DOTOQJQBSA-N 1 0 301.430 3.982 10 0 DHAERO CCc1ccc([C@H]2CCCCN2Cc2ncnn2CC(C)C)o1 ZINC000182808628 337188300 /nfs/dbraw/zinc/18/83/00/337188300.db2.gz PSXNXJYALCJFAV-MRXNPFEDSA-N 1 0 316.449 3.817 10 0 DHAERO C[C@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCO1 ZINC000183119537 337189981 /nfs/dbraw/zinc/18/99/81/337189981.db2.gz HGEWQCVFRXBKLA-FZMZJTMJSA-N 1 0 306.793 3.652 10 0 DHAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCSCC2)cc1OC ZINC000187071221 337261610 /nfs/dbraw/zinc/26/16/10/337261610.db2.gz IBZSCURMOCQBKN-QWHCGFSZSA-N 1 0 309.475 3.886 10 0 DHAERO CC(C)CSCCC[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188161629 337271194 /nfs/dbraw/zinc/27/11/94/337271194.db2.gz MIZNUGMSIVHFLM-CVEARBPZSA-N 1 0 313.532 3.535 10 0 DHAERO OC[C@@H]1C[N@H+](Cc2coc3ccccc23)C[C@H]1c1ccsc1 ZINC000190283835 337286283 /nfs/dbraw/zinc/28/62/83/337286283.db2.gz XOOYNJUXUXJSNF-YOEHRIQHSA-N 1 0 313.422 3.702 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc(Cl)cc1Cl ZINC000392932407 337290763 /nfs/dbraw/zinc/29/07/63/337290763.db2.gz PRWKUHZVOCYCID-QCZZGDTMSA-N 1 0 315.244 3.701 10 0 DHAERO CC[NH+](CC)CCCCCN1C(=O)CC2(CCCCC2)CC1=O ZINC000584631034 337376896 /nfs/dbraw/zinc/37/68/96/337376896.db2.gz LWCGAZHBPGRUTG-UHFFFAOYSA-N 1 0 322.493 3.598 10 0 DHAERO CC[C@H]([NH2+][C@H](CO)CC(C)C)c1cccc(Br)c1 ZINC000040775957 337398816 /nfs/dbraw/zinc/39/88/16/337398816.db2.gz SNHQLVRYIDOLHK-GJZGRUSLSA-N 1 0 314.267 3.897 10 0 DHAERO CC(C)C1([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000379465590 337399069 /nfs/dbraw/zinc/39/90/69/337399069.db2.gz NBBZNYHPEWRSOQ-NSHDSACASA-N 1 0 318.244 3.511 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2ccccc2F)C12CCOCC2 ZINC000248644522 337566475 /nfs/dbraw/zinc/56/64/75/337566475.db2.gz QFJAPQROWZASPK-RCCFBDPRSA-N 1 0 321.436 3.841 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2)C12CCOCC2 ZINC000248992098 337569138 /nfs/dbraw/zinc/56/91/38/337569138.db2.gz LGTXPGZJWAPXBU-OKZBNKHCSA-N 1 0 303.446 3.702 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)c2ccccc2)C12CCOCC2 ZINC000249022681 337569272 /nfs/dbraw/zinc/56/92/72/337569272.db2.gz QWIHKISOIQJDFL-QXAKKESOSA-N 1 0 317.473 3.744 10 0 DHAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1occc1-c1ccccc1 ZINC000261656331 337607608 /nfs/dbraw/zinc/60/76/08/337607608.db2.gz NHQNULNTKZGVIQ-SFYZZRBRSA-N 1 0 324.424 3.582 10 0 DHAERO C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@H]2c2ccc3ccccc3c2)n1 ZINC000261664338 337607804 /nfs/dbraw/zinc/60/78/04/337607804.db2.gz FTLWPRPBFDPMQD-OAUYIBNBSA-N 1 0 307.397 3.644 10 0 DHAERO CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261785005 337610495 /nfs/dbraw/zinc/61/04/95/337610495.db2.gz HTRDOABVNYEEQP-QAPCUYQASA-N 1 0 316.489 3.889 10 0 DHAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000261796703 337610658 /nfs/dbraw/zinc/61/06/58/337610658.db2.gz DPODLGLCXUBEMY-QWRGUYRKSA-N 1 0 322.861 3.983 10 0 DHAERO CC(C)Cc1ccc([C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000262613471 337619884 /nfs/dbraw/zinc/61/98/84/337619884.db2.gz KLFCDMKBYQHUAV-OTWHNJEPSA-N 1 0 314.473 3.580 10 0 DHAERO C[C@H](NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1ccc2ccccc2c1 ZINC000262957313 337622627 /nfs/dbraw/zinc/62/26/27/337622627.db2.gz KHUGOGHBUBCQJS-DCPHZVHLSA-N 1 0 310.441 3.925 10 0 DHAERO C[C@H]1CC(C[NH2+]Cc2c(F)ccc(F)c2Cl)C[C@H](C)O1 ZINC000527702382 337757513 /nfs/dbraw/zinc/75/75/13/337757513.db2.gz FANJRMDYGHPNGO-UWVGGRQHSA-N 1 0 303.780 3.911 10 0 DHAERO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000120432450 337873852 /nfs/dbraw/zinc/87/38/52/337873852.db2.gz KNUBUTXSYBMCSX-AWEZNQCLSA-N 1 0 312.413 3.547 10 0 DHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc1F ZINC000120904387 337882970 /nfs/dbraw/zinc/88/29/70/337882970.db2.gz NAIMNEDPJJDXJU-KBPBESRZSA-N 1 0 306.425 3.622 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)[C@@H]1CCCO1 ZINC000149574913 338117125 /nfs/dbraw/zinc/11/71/25/338117125.db2.gz CVPHXRLQAGYNSQ-RBZYPMLTSA-N 1 0 316.214 3.806 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000153792899 338231147 /nfs/dbraw/zinc/23/11/47/338231147.db2.gz SMCLSEDYKGQBKJ-NJZAAPMLSA-N 1 0 301.352 3.907 10 0 DHAERO C[C@@H]([NH2+]CCCC(F)(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400468947 340147369 /nfs/dbraw/zinc/14/73/69/340147369.db2.gz UMWJUNFCMRFTIA-VXGBXAGGSA-N 1 0 324.387 3.564 10 0 DHAERO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000173387836 340363888 /nfs/dbraw/zinc/36/38/88/340363888.db2.gz QVWWSIXJBVJITD-DVOMOZLQSA-N 1 0 323.868 3.525 10 0 DHAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000311929691 340450473 /nfs/dbraw/zinc/45/04/73/340450473.db2.gz IDDXQAMPHLIDDJ-RCBQFDQVSA-N 1 0 324.262 3.577 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)cc(C)c2)C12CCOCC2 ZINC000186328915 340511173 /nfs/dbraw/zinc/51/11/73/340511173.db2.gz QLJNXLITMDZVOL-YTQUADARSA-N 1 0 317.473 3.928 10 0 DHAERO C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1cccc(Cl)c1 ZINC000229404092 340613475 /nfs/dbraw/zinc/61/34/75/340613475.db2.gz XHPZHGJGZSRWCZ-CYBMUJFWSA-N 1 0 308.853 3.817 10 0 DHAERO C[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccc(Cl)s1 ZINC000130194762 341006054 /nfs/dbraw/zinc/00/60/54/341006054.db2.gz ZWQWLXKYBGQGLE-NSHDSACASA-N 1 0 320.845 3.641 10 0 DHAERO COCCCCC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134827628 341224721 /nfs/dbraw/zinc/22/47/21/341224721.db2.gz BMZQSYCMAOAGBH-QGZVFWFLSA-N 1 0 307.409 3.680 10 0 DHAERO C[C@@]1(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCCC[NH2+]1 ZINC000136150234 341253869 /nfs/dbraw/zinc/25/38/69/341253869.db2.gz XLUAFVSCGUGIHU-CJNGLKHVSA-N 1 0 324.877 3.525 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccccc1Cl ZINC000245414151 341292289 /nfs/dbraw/zinc/29/22/89/341292289.db2.gz CVBQKYBTUSTTHQ-ZIAGYGMSSA-N 1 0 323.868 3.527 10 0 DHAERO COc1ccc([C@H](C)C[N@@H+]2CCCC[C@@H](N3CCCC3)C2)cc1 ZINC000245858830 341316526 /nfs/dbraw/zinc/31/65/26/341316526.db2.gz ODXYYZOECJLPGD-IEBWSBKVSA-N 1 0 316.489 3.749 10 0 DHAERO Cc1nc(C[C@H]2CCC[N@@H+]([C@H](C)c3cc(F)ccc3F)C2)no1 ZINC000245866528 341316645 /nfs/dbraw/zinc/31/66/45/341316645.db2.gz UMIODEVFVXXENX-DGCLKSJQSA-N 1 0 321.371 3.672 10 0 DHAERO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246162942 341330633 /nfs/dbraw/zinc/33/06/33/341330633.db2.gz RAOVBHHSXQENBV-KBPBESRZSA-N 1 0 317.383 3.855 10 0 DHAERO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000246496586 341350806 /nfs/dbraw/zinc/35/08/06/341350806.db2.gz AZUSCARFTKKDMS-YNEHKIRRSA-N 1 0 323.387 3.728 10 0 DHAERO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000246588874 341354035 /nfs/dbraw/zinc/35/40/35/341354035.db2.gz ZEKQZYBPLRHQTA-IPYPFGDCSA-N 1 0 309.523 3.954 10 0 DHAERO O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000247183186 341361922 /nfs/dbraw/zinc/36/19/22/341361922.db2.gz ZEVQPGXUAXSHNT-GUDVDZBRSA-N 1 0 318.505 3.680 10 0 DHAERO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000247199418 341362230 /nfs/dbraw/zinc/36/22/30/341362230.db2.gz WZBGHOUDCDCWRD-APHBMKBZSA-N 1 0 323.868 3.573 10 0 DHAERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)cc1OCC ZINC000247940480 341371297 /nfs/dbraw/zinc/37/12/97/341371297.db2.gz CYRSGNWLOVBTGK-BHYGNILZSA-N 1 0 321.461 3.686 10 0 DHAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)c1 ZINC000248201511 341374752 /nfs/dbraw/zinc/37/47/52/341374752.db2.gz YWRDEDYFDCKCKC-KCQAQPDRSA-N 1 0 313.388 3.798 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccccc1Br ZINC000248202186 341374754 /nfs/dbraw/zinc/37/47/54/341374754.db2.gz ZBBXPUXLMJLIFX-SLEUVZQESA-N 1 0 312.251 3.651 10 0 DHAERO CC(C)c1ccc([C@@H](C)[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000248470835 341378593 /nfs/dbraw/zinc/37/85/93/341378593.db2.gz VKNVLJGJWOEVDG-IAGOWNOFSA-N 1 0 312.461 3.875 10 0 DHAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000248621892 341381945 /nfs/dbraw/zinc/38/19/45/341381945.db2.gz YDAPZMAZSXZKPX-ZACQAIPSSA-N 1 0 308.510 3.685 10 0 DHAERO FC(F)(F)C1CCC(CN2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000248745666 341385657 /nfs/dbraw/zinc/38/56/57/341385657.db2.gz SBWKLEGHMNMKJD-YMAMQOFZSA-N 1 0 304.400 3.525 10 0 DHAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@@H]1C)CCS2 ZINC000248890122 341389615 /nfs/dbraw/zinc/38/96/15/341389615.db2.gz YRBDGNDVCSVCQI-IAOVAPTHSA-N 1 0 320.502 3.550 10 0 DHAERO CC(C)C(=O)NCCC[NH2+][C@H](c1ccccc1Cl)C(C)C ZINC000091406355 341425717 /nfs/dbraw/zinc/42/57/17/341425717.db2.gz VVXMEUYBIHDDNI-INIZCTEOSA-N 1 0 310.869 3.789 10 0 DHAERO C[C@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)[C@H](C[NH3+])C1 ZINC000262574315 341525217 /nfs/dbraw/zinc/52/52/17/341525217.db2.gz XYCUHTBMUSCJQF-LRDDRELGSA-N 1 0 319.836 3.554 10 0 DHAERO COc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)ccc1F ZINC000153593335 341575480 /nfs/dbraw/zinc/57/54/80/341575480.db2.gz HMGPQXMICJDRBV-STQMWFEESA-N 1 0 303.377 3.822 10 0 DHAERO CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1OC ZINC000165285061 341710721 /nfs/dbraw/zinc/71/07/21/341710721.db2.gz RWFDWRAZSRXYTN-UAGQMJEPSA-N 1 0 321.461 3.828 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)COCc2ccccc2)C12CCC2 ZINC000344079774 341858225 /nfs/dbraw/zinc/85/82/25/341858225.db2.gz UOTQVURRMXZHIW-RYQLBKOJSA-N 1 0 303.446 3.529 10 0 DHAERO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000178421568 519646022 /nfs/dbraw/zinc/64/60/22/519646022.db2.gz NIELRCUIXCVINZ-YCMKEVRSSA-N 1 0 302.462 3.908 10 0 DHAERO CC(C)c1ccc([C@@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000195302346 519839218 /nfs/dbraw/zinc/83/92/18/519839218.db2.gz QQPMWQJERAOPOX-OAHLLOKOSA-N 1 0 314.473 3.862 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](c1ccccc1)C(C)C)CC2 ZINC000180515181 519896696 /nfs/dbraw/zinc/89/66/96/519896696.db2.gz PXVLQJNDFLWFDY-WMZOPIPTSA-N 1 0 312.461 3.703 10 0 DHAERO CC1(C)C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2O1 ZINC000247250118 520557589 /nfs/dbraw/zinc/55/75/89/520557589.db2.gz ZOGSRIBQMGJCKM-ZOBUZTSGSA-N 1 0 300.446 3.505 10 0 DHAERO CCC[C@H](C(=O)Nc1cccc(C2SCCS2)c1)[NH+](C)C ZINC000156838408 520989268 /nfs/dbraw/zinc/98/92/68/520989268.db2.gz LYUCTWZIQANOKP-CQSZACIVSA-N 1 0 324.515 3.834 10 0 DHAERO CC[C@H](NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000226818678 522508896 /nfs/dbraw/zinc/50/88/96/522508896.db2.gz NKZMLSJHCKHWGZ-IVMMDQJWSA-N 1 0 302.443 3.652 10 0 DHAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc3ccccc31)CC2 ZINC000112550586 522531243 /nfs/dbraw/zinc/53/12/43/522531243.db2.gz GSDPJLYEPJRDFN-GOEBONIOSA-N 1 0 320.440 3.659 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccccc1OC(F)F ZINC000153798001 522750252 /nfs/dbraw/zinc/75/02/52/522750252.db2.gz JNROPIPPERYJAG-SNPRPXQTSA-N 1 0 313.388 3.880 10 0 DHAERO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000106177486 522944706 /nfs/dbraw/zinc/94/47/06/522944706.db2.gz TZSCKQHIZSMRLS-PKOBYXMFSA-N 1 0 312.461 3.758 10 0 DHAERO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)cc1 ZINC000156970368 524030340 /nfs/dbraw/zinc/03/03/40/524030340.db2.gz PPTYWBWYRZVSLA-HNNXBMFYSA-N 1 0 302.443 3.840 10 0 DHAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000123013863 524707758 /nfs/dbraw/zinc/70/77/58/524707758.db2.gz JAXILLGOENJXMI-CVEARBPZSA-N 1 0 321.424 3.860 10 0 DHAERO C[C@@H]([NH3+])CCC(=O)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000193244145 524994777 /nfs/dbraw/zinc/99/47/77/524994777.db2.gz XBLGCESKDDBVHS-CYBMUJFWSA-N 1 0 318.367 3.625 10 0 DHAERO C[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1cccs1 ZINC000187493737 525324802 /nfs/dbraw/zinc/32/48/02/525324802.db2.gz LJDHDXJBJLCSBD-ZDUSSCGKSA-N 1 0 308.491 3.683 10 0 DHAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(-c2ccccc2)cc1 ZINC000130779179 525402134 /nfs/dbraw/zinc/40/21/34/525402134.db2.gz AEPKUZNARPXXLS-OAHLLOKOSA-N 1 0 323.440 3.547 10 0 DHAERO C[C@@H]([NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccnc1 ZINC000181656230 525498314 /nfs/dbraw/zinc/49/83/14/525498314.db2.gz WKTDRHDKHKDGNG-MLGOLLRUSA-N 1 0 315.804 3.579 10 0 DHAERO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCC(F)(F)F)CC2)o1 ZINC000180157118 525723240 /nfs/dbraw/zinc/72/32/40/525723240.db2.gz LHVLFCITJSYPDF-GFCCVEGCSA-N 1 0 304.356 3.655 10 0 DHAERO C[C@H](CC(=O)N[C@@H](C)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000147947291 526243824 /nfs/dbraw/zinc/24/38/24/526243824.db2.gz DSTHPFBHPXDMSP-VNHYZAJKSA-N 1 0 308.853 3.543 10 0 DHAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000157939825 527215569 /nfs/dbraw/zinc/21/55/69/527215569.db2.gz HNQQAUPIUPHENN-SOTJZCEJSA-N 1 0 314.473 3.594 10 0 DHAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000237876030 527349661 /nfs/dbraw/zinc/34/96/61/527349661.db2.gz AXFNWFAJYANLCY-KBAYOESNSA-N 1 0 318.436 3.691 10 0 DHAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc(CSC3CCCC3)c2)C1 ZINC000237949832 527366620 /nfs/dbraw/zinc/36/66/20/527366620.db2.gz FWXYHWWBNKKWCN-HUUCEWRRSA-N 1 0 318.486 3.928 10 0 DHAERO [NH3+][C@H]1CCC[C@H](C(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000238030861 527405657 /nfs/dbraw/zinc/40/56/57/527405657.db2.gz PVDHSZCAFNLSPS-ROUUACIJSA-N 1 0 308.425 3.737 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000180130374 527440704 /nfs/dbraw/zinc/44/07/04/527440704.db2.gz KXOPGZPYWHIJFW-AWEZNQCLSA-N 1 0 318.490 3.610 10 0 DHAERO Cc1nn(C)cc1C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000163305075 527693624 /nfs/dbraw/zinc/69/36/24/527693624.db2.gz KZGAFWHEYPBYHP-KRWDZBQOSA-N 1 0 311.429 3.655 10 0 DHAERO C[C@@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)[NH2+]CCc1ccsc12 ZINC000712516438 563320061 /nfs/dbraw/zinc/32/00/61/563320061.db2.gz UHUADMJORYLNES-PXAZEXFGSA-N 1 0 322.474 3.509 10 0 DHAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000068592937 563494626 /nfs/dbraw/zinc/49/46/26/563494626.db2.gz RFSKETHKTZEBGO-UXLLHSPISA-N 1 0 318.461 3.668 10 0 DHAERO C[C@H]1[C@H](C)[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000068592775 563495075 /nfs/dbraw/zinc/49/50/75/563495075.db2.gz MIYNQZRSMKSJTR-ZOBUZTSGSA-N 1 0 318.461 3.810 10 0 DHAERO Cc1cccc([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1F ZINC000675054318 563861730 /nfs/dbraw/zinc/86/17/30/563861730.db2.gz MYNNDAILGSUXDC-OCCSQVGLSA-N 1 0 308.397 3.533 10 0 DHAERO Cc1ccc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c(C)c1 ZINC000675055224 563870285 /nfs/dbraw/zinc/87/02/85/563870285.db2.gz RHXMNUGTXYMOET-GOEBONIOSA-N 1 0 304.434 3.621 10 0 DHAERO CCn1c2ncccc2nc1[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000065285328 568419459 /nfs/dbraw/zinc/41/94/59/568419459.db2.gz GJRXYPAQWZXPPO-OAHLLOKOSA-N 1 0 324.403 3.580 10 0 DHAERO Cc1cc(-c2nnc(C[N@H+]3CC[C@H](C)C[C@H](C)C3)o2)c(C)o1 ZINC000089934681 1014494047 /nfs/dbraw/zinc/49/40/47/1014494047.db2.gz PXYMFTGONZZRIN-RYUDHWBXSA-N 1 0 303.406 3.814 10 0 DHAERO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092788835 1032510856 /nfs/dbraw/zinc/51/08/56/1032510856.db2.gz OQQCPZNQUCWQIR-GFCCVEGCSA-N 1 0 304.463 3.543 10 0 DHAERO OCCCC[N@H+](Cc1ncc(-c2ccccc2Cl)o1)C1CC1 ZINC000075766524 1030686718 /nfs/dbraw/zinc/68/67/18/1030686718.db2.gz WRGMBAJYIKVMQJ-UHFFFAOYSA-N 1 0 320.820 3.732 10 0 DHAERO Cc1cc(-c2ccc(Cl)cc2)c(Br)c(NN)[nH+]1 ZINC000090613218 185307001 /nfs/dbraw/zinc/30/70/01/185307001.db2.gz JMXKCZBBTJLRAC-UHFFFAOYSA-N 1 0 312.598 3.759 10 0 DHAERO Cc1ccc(Cl)c(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1Cl ZINC000070573456 190906450 /nfs/dbraw/zinc/90/64/50/190906450.db2.gz HRKWJUOKQYACRV-UWVGGRQHSA-N 1 0 301.217 3.758 10 0 DHAERO [NH3+]Cc1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000070579989 190908118 /nfs/dbraw/zinc/90/81/18/190908118.db2.gz NVDMBDNIDXJPAG-UHFFFAOYSA-N 1 0 310.166 3.626 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000236786790 202007937 /nfs/dbraw/zinc/00/79/37/202007937.db2.gz OBFLDGQSZILDKY-SECBINFHSA-N 1 0 322.808 3.763 10 0 DHAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000236801802 202017356 /nfs/dbraw/zinc/01/73/56/202017356.db2.gz YYCNGZRMSQBDAO-GRGSLBFTSA-N 1 0 314.473 3.642 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000236803510 202017822 /nfs/dbraw/zinc/01/78/22/202017822.db2.gz QGCAALZBNBEDAI-CQSZACIVSA-N 1 0 310.825 3.727 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000236810645 202022418 /nfs/dbraw/zinc/02/24/18/202022418.db2.gz BPUISTFYTNCKRV-MRXNPFEDSA-N 1 0 306.475 3.928 10 0 DHAERO CC(C)CN(C(=O)OC(C)(C)C)C1CC[NH+](CC(C)C)CC1 ZINC000073652877 191336121 /nfs/dbraw/zinc/33/61/21/191336121.db2.gz SWEJMRFYNFCIDA-UHFFFAOYSA-N 1 0 312.498 4.000 10 0 DHAERO CCN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000073652501 191337056 /nfs/dbraw/zinc/33/70/56/191337056.db2.gz IORQQMAGEAZMSR-QGZVFWFLSA-N 1 0 318.461 3.908 10 0 DHAERO NNc1[nH+]c(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000005776975 181283069 /nfs/dbraw/zinc/28/30/69/181283069.db2.gz ZOMDZRMUDIOLCA-UHFFFAOYSA-N 1 0 305.168 3.889 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N(CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000236898909 202060145 /nfs/dbraw/zinc/06/01/45/202060145.db2.gz LOUMTGJVLYKPMV-BXUZGUMPSA-N 1 0 316.367 3.742 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)c1sccc1C ZINC000236924930 202073814 /nfs/dbraw/zinc/07/38/14/202073814.db2.gz XSJPWRPZWBYRPU-JKSUJKDBSA-N 1 0 316.470 3.584 10 0 DHAERO COc1ccc(Cn2c(N)[nH+]c3cc(Cl)c(Cl)cc32)cc1 ZINC000005853923 181289674 /nfs/dbraw/zinc/28/96/74/181289674.db2.gz IXLAXWXWJOVSLB-UHFFFAOYSA-N 1 0 322.195 3.982 10 0 DHAERO CCc1ccc([C@H]([NH2+][C@@H]2CCCn3nc(C)nc32)C(C)C)cc1 ZINC000091377417 193048808 /nfs/dbraw/zinc/04/88/08/193048808.db2.gz AVZAFGBRIKVYEG-QZTJIDSGSA-N 1 0 312.461 3.971 10 0 DHAERO Cc1n[nH]cc1C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000093613055 193273668 /nfs/dbraw/zinc/27/36/68/193273668.db2.gz VHZJVYSHAIPMRA-ZDUSSCGKSA-N 1 0 304.463 3.678 10 0 DHAERO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)C(C)C ZINC000012671676 181786692 /nfs/dbraw/zinc/78/66/92/181786692.db2.gz XNHSLMGDMPLCLL-NEPJUHHUSA-N 1 0 312.841 3.618 10 0 DHAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1ccc(Cl)cc1 ZINC000015482945 182004803 /nfs/dbraw/zinc/00/48/03/182004803.db2.gz SUYYYAVZYHCSBM-SNVBAGLBSA-N 1 0 324.211 3.678 10 0 DHAERO CCN(c1ccccc1)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000019260788 182111438 /nfs/dbraw/zinc/11/14/38/182111438.db2.gz ZUZXANQCABHMFK-GFCCVEGCSA-N 1 0 309.207 3.568 10 0 DHAERO [NH3+]C[C@H](c1cccc(Br)c1)N1CCc2ccccc21 ZINC000019509494 182126531 /nfs/dbraw/zinc/12/65/31/182126531.db2.gz ZWESUHIKKMHPNL-MRXNPFEDSA-N 1 0 317.230 3.512 10 0 DHAERO NC(=[NH2+])Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000019489265 182125315 /nfs/dbraw/zinc/12/53/15/182125315.db2.gz UGYHVTDVPAPKCI-UHFFFAOYSA-N 1 0 319.202 3.507 10 0 DHAERO CCC[NH+]1CCC(Nc2ccc(Br)cc2F)CC1 ZINC000019907960 182162882 /nfs/dbraw/zinc/16/28/82/182162882.db2.gz KJUZUZKNHWUDAI-UHFFFAOYSA-N 1 0 315.230 3.875 10 0 DHAERO [NH3+][C@@H](c1cc(F)ccc1F)c1cc(F)ccc1Br ZINC000019969417 182171246 /nfs/dbraw/zinc/17/12/46/182171246.db2.gz PDALXSQZYNWARO-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO [NH3+][C@H](Cc1ccc(Br)cc1)c1ccc2c(c1)CCO2 ZINC000019971038 182171261 /nfs/dbraw/zinc/17/12/61/182171261.db2.gz KTZTWDKODXSDCX-OAHLLOKOSA-N 1 0 318.214 3.627 10 0 DHAERO [NH3+][C@H](c1cccc(Br)c1)c1c(F)cc(F)cc1F ZINC000019971830 182172414 /nfs/dbraw/zinc/17/24/14/182172414.db2.gz LMMVLGRFKCQUGA-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2ccc(F)cc2Br)c(C)c1 ZINC000019972035 182172507 /nfs/dbraw/zinc/17/25/07/182172507.db2.gz CEVTZTBMMXPUCP-OAHLLOKOSA-N 1 0 324.193 3.953 10 0 DHAERO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](CN)c2ccc(C(F)(F)F)cc2)C1 ZINC000020081905 182185327 /nfs/dbraw/zinc/18/53/27/182185327.db2.gz QGXJNMNXCIJUOK-JMSVASOKSA-N 1 0 300.368 3.683 10 0 DHAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000020081982 182185595 /nfs/dbraw/zinc/18/55/95/182185595.db2.gz VNARKDBQSSXFHP-INIZCTEOSA-N 1 0 319.246 3.975 10 0 DHAERO CCCOc1c(Cl)cc(Cl)cc1C[NH2+][C@H](CC)CO ZINC000020930096 182254188 /nfs/dbraw/zinc/25/41/88/182254188.db2.gz LEBXPRFLMFGNTP-GFCCVEGCSA-N 1 0 306.233 3.643 10 0 DHAERO CCCOc1ccc(C[NH2+]CCCOC(C)C)cc1OCC ZINC000020933531 182255015 /nfs/dbraw/zinc/25/50/15/182255015.db2.gz GSCRROOJDQREIN-UHFFFAOYSA-N 1 0 309.450 3.779 10 0 DHAERO CCCOc1ccc(C[NH2+]C[C@@H]2CCCN2CC)cc1Cl ZINC000020967437 182257108 /nfs/dbraw/zinc/25/71/08/182257108.db2.gz VGJZSOYNMLTNNG-HNNXBMFYSA-N 1 0 310.869 3.703 10 0 DHAERO CC[C@H](CCC[NH3+])Nc1cc(OC)c(OC)c2ccccc12 ZINC000027560850 182478503 /nfs/dbraw/zinc/47/85/03/182478503.db2.gz MHIFSCBCQJUTGT-CYBMUJFWSA-N 1 0 302.418 3.786 10 0 DHAERO CCCCCCOc1ccc(Br)cc1CC[NH3+] ZINC000037720758 182919844 /nfs/dbraw/zinc/91/98/44/182919844.db2.gz SCCYBYKTSHTMQC-UHFFFAOYSA-N 1 0 300.240 3.909 10 0 DHAERO CC(C)CCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000037984816 182954422 /nfs/dbraw/zinc/95/44/22/182954422.db2.gz RYGNONKWNQTWSO-LBPRGKRZSA-N 1 0 320.260 3.759 10 0 DHAERO C#[N+][C@H](c1ccc(F)cc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000038534290 183001779 /nfs/dbraw/zinc/00/17/79/183001779.db2.gz AYYBKMRUCSJRDF-HNNXBMFYSA-N 1 0 308.329 3.708 10 0 DHAERO [NH3+]CCCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000040410165 183062805 /nfs/dbraw/zinc/06/28/05/183062805.db2.gz TVZXEHNAPDKSFC-UHFFFAOYSA-N 1 0 323.318 3.588 10 0 DHAERO Cc1ccc(Oc2ncnc(Nc3cc[nH+]cc3)c2N)cc1C ZINC000040687693 183117741 /nfs/dbraw/zinc/11/77/41/183117741.db2.gz UCTULPXXXGSLNK-UHFFFAOYSA-N 1 0 307.357 3.607 10 0 DHAERO [NH3+]C[C@@H](Cc1ccccc1F)c1cccc(Br)c1 ZINC000041541263 183200351 /nfs/dbraw/zinc/20/03/51/183200351.db2.gz ASOHSDWIHUEFSD-CYBMUJFWSA-N 1 0 308.194 3.873 10 0 DHAERO Brc1ccccc1-c1nc(C[NH2+]C2CC2)cs1 ZINC000042289042 183250130 /nfs/dbraw/zinc/25/01/30/183250130.db2.gz QOCZMRUZMRFOLE-UHFFFAOYSA-N 1 0 309.232 3.825 10 0 DHAERO C[C@@H](CN1CCCC1)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000042597270 183289650 /nfs/dbraw/zinc/28/96/50/183289650.db2.gz IVOQSDUXWMBBAO-STQMWFEESA-N 1 0 311.267 3.584 10 0 DHAERO CCC(CC)[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042953360 183321195 /nfs/dbraw/zinc/32/11/95/183321195.db2.gz NKDZSIBPRYOEBH-IAQYHMDHSA-N 1 0 313.283 3.958 10 0 DHAERO CCC[C@H](C)[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042953375 183321942 /nfs/dbraw/zinc/32/19/42/183321942.db2.gz HBUYLTOECQUCOD-YWPYICTPSA-N 1 0 313.283 3.958 10 0 DHAERO CCC[N@H+](CC)[C@H](c1ccc(Br)cc1)[C@H](N)CC ZINC000042952865 183322118 /nfs/dbraw/zinc/32/21/18/183322118.db2.gz XYLYLHHARMESLN-HUUCEWRRSA-N 1 0 313.283 3.959 10 0 DHAERO CC[N@H+](CC(C)C)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020392 183329118 /nfs/dbraw/zinc/32/91/18/183329118.db2.gz APFJQQVNOXDULS-DOMZBBRYSA-N 1 0 313.283 3.815 10 0 DHAERO C[C@@H]([NH3+])[C@@H](OCc1ccco1)c1cccc(Br)c1 ZINC000043022358 183330374 /nfs/dbraw/zinc/33/03/74/183330374.db2.gz HJTLEIAXLWCZTI-QMTHXVAHSA-N 1 0 310.191 3.647 10 0 DHAERO CC(C)C[C@H](C)O[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043023140 183330524 /nfs/dbraw/zinc/33/05/24/183330524.db2.gz BMZUHROJDIWOEV-SMDDNHRTSA-N 1 0 300.240 3.900 10 0 DHAERO [NH3+]C[C@H](OCc1cccs1)c1ccccc1Br ZINC000043095590 183337264 /nfs/dbraw/zinc/33/72/64/183337264.db2.gz GMVTUONKXAOZJI-ZDUSSCGKSA-N 1 0 312.232 3.727 10 0 DHAERO CC(C)CCN(C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043092692 183335582 /nfs/dbraw/zinc/33/55/82/183335582.db2.gz DQCMNTBQNRJNHV-DOMZBBRYSA-N 1 0 313.283 3.815 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)Cc1ccco1 ZINC000043091531 183336004 /nfs/dbraw/zinc/33/60/04/183336004.db2.gz CSAJHIJNKXJGQA-ABAIWWIYSA-N 1 0 323.234 3.562 10 0 DHAERO [NH3+]C[C@H](Oc1cccc(F)c1)c1ccccc1Br ZINC000043094423 183336427 /nfs/dbraw/zinc/33/64/27/183336427.db2.gz HYQXFICGRVJYSX-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO CCc1cccc(CC)c1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104976718 194061669 /nfs/dbraw/zinc/06/16/69/194061669.db2.gz FOVHWDQCCFLYIC-KRWDZBQOSA-N 1 0 315.461 3.513 10 0 DHAERO Cc1cnn([C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)c1 ZINC000105900888 194164105 /nfs/dbraw/zinc/16/41/05/194164105.db2.gz HVJLWYJLDMGOPM-SFHVURJKSA-N 1 0 306.413 3.577 10 0 DHAERO CCn1cnnc1C1CC[NH+]([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000105928490 194172166 /nfs/dbraw/zinc/17/21/66/194172166.db2.gz FMXJENPJRVBYSB-ZDUSSCGKSA-N 1 0 318.852 3.892 10 0 DHAERO C[C@@H](c1ccccc1Cl)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106080058 194184311 /nfs/dbraw/zinc/18/43/11/194184311.db2.gz RPVLSSWZUIXKLP-ZDUSSCGKSA-N 1 0 316.836 3.768 10 0 DHAERO CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075520 194184315 /nfs/dbraw/zinc/18/43/15/194184315.db2.gz XYUQUPPWVVSENT-QZTJIDSGSA-N 1 0 310.445 3.529 10 0 DHAERO CC[NH2+]C[C@H](OCC(C)C)c1ccc(Br)cc1 ZINC000050491929 183787740 /nfs/dbraw/zinc/78/77/40/183787740.db2.gz PQPRJSDIHOPXGP-AWEZNQCLSA-N 1 0 300.240 3.772 10 0 DHAERO CC[NH2+]C[C@H](C(C)C)N(C)Cc1ccccc1Br ZINC000052541157 183863695 /nfs/dbraw/zinc/86/36/95/183863695.db2.gz DSOMRPSMSABCNY-OAHLLOKOSA-N 1 0 313.283 3.515 10 0 DHAERO [NH3+]C[C@@H](Nc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000057653640 184043974 /nfs/dbraw/zinc/04/39/74/184043974.db2.gz JTVDSRHAVDLHIO-CQSZACIVSA-N 1 0 309.182 3.700 10 0 DHAERO Cc1cccc(N[C@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000057634095 184043094 /nfs/dbraw/zinc/04/30/94/184043094.db2.gz WSOUUIPRIZFSFW-OAHLLOKOSA-N 1 0 305.219 3.869 10 0 DHAERO CO[C@H]1CC(=C(c2cccs2)c2cccs2)C[N@@H+](C)C1 ZINC000059555682 184139506 /nfs/dbraw/zinc/13/95/06/184139506.db2.gz CDLDDIHSXRLVEM-ZDUSSCGKSA-N 1 0 305.468 3.962 10 0 DHAERO Oc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1Br ZINC000059514611 184139696 /nfs/dbraw/zinc/13/96/96/184139696.db2.gz UAQYWKPOGNEOPB-OAHLLOKOSA-N 1 0 318.214 3.932 10 0 DHAERO CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CCOCC1 ZINC000061671982 184181593 /nfs/dbraw/zinc/18/15/93/184181593.db2.gz GBVXFZQWAHRYLL-HNNXBMFYSA-N 1 0 312.251 3.916 10 0 DHAERO Cc1nn(-c2ccc([C@@H](C)[NH3+])cc2Br)c(C)c1C ZINC000061698437 184183859 /nfs/dbraw/zinc/18/38/59/184183859.db2.gz HVQGHRQZRHTCRV-SECBINFHSA-N 1 0 308.223 3.580 10 0 DHAERO CCOC(=O)C[C@H](C)C[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000061830370 184188707 /nfs/dbraw/zinc/18/87/07/184188707.db2.gz GGIXYEWDDQEXTC-NOZJJQNGSA-N 1 0 304.217 3.973 10 0 DHAERO CCOC(=O)C[C@@H](C)C[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000061830369 184188896 /nfs/dbraw/zinc/18/88/96/184188896.db2.gz GGIXYEWDDQEXTC-TVQRCGJNSA-N 1 0 304.217 3.973 10 0 DHAERO [NH3+][C@@H](c1cccc(Br)c1)c1ccc(F)c(F)c1F ZINC000061838326 184189269 /nfs/dbraw/zinc/18/92/69/184189269.db2.gz HWBYKLQFWOWXKD-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO C[NH2+][C@H](Cc1ccc(Br)cc1)c1ccc(C)nc1 ZINC000062949905 184261914 /nfs/dbraw/zinc/26/19/14/184261914.db2.gz HOBQZYUFCIRYCD-OAHLLOKOSA-N 1 0 305.219 3.656 10 0 DHAERO Cc1oc(C[NH3+])cc1COc1ccc(Br)cc1C ZINC000063062531 184269129 /nfs/dbraw/zinc/26/91/29/184269129.db2.gz QDEBECGPGXLVEF-UHFFFAOYSA-N 1 0 310.191 3.697 10 0 DHAERO CCCCN(C)C(=O)c1cc2c(s1)C[N@@H+](C1CCCC1)C2 ZINC000065239073 184317189 /nfs/dbraw/zinc/31/71/89/184317189.db2.gz ZIQOPRLHBSBHTK-UHFFFAOYSA-N 1 0 306.475 3.878 10 0 DHAERO C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1nc2ccccc2n1C ZINC000120433527 195165950 /nfs/dbraw/zinc/16/59/50/195165950.db2.gz FYNWUDKZACREEH-QAPCUYQASA-N 1 0 322.456 3.527 10 0 DHAERO COc1ccccc1[C@@H]([NH2+]CC(C)(C)O)c1ccccc1Cl ZINC000180515293 331571165 /nfs/dbraw/zinc/57/11/65/331571165.db2.gz PKJNSUJHURGQER-KRWDZBQOSA-N 1 0 319.832 3.799 10 0 DHAERO Cc1cnn(CC[NH2+][C@H](CSc2ccccc2)C(C)C)c1 ZINC000180801180 331577393 /nfs/dbraw/zinc/57/73/93/331577393.db2.gz AWCMYZXNCBUIRZ-QGZVFWFLSA-N 1 0 303.475 3.598 10 0 DHAERO COc1ccc([C@H]([NH2+]C[C@@H]2CSCCS2)C2CC2)cc1 ZINC000091368913 331918684 /nfs/dbraw/zinc/91/86/84/331918684.db2.gz LUTCXSBCSNDTOO-HZPDHXFCSA-N 1 0 309.500 3.585 10 0 DHAERO [NH3+]C[C@H](NC(=O)c1cc2ccccc2s1)C1CCCCC1 ZINC000127324488 332001351 /nfs/dbraw/zinc/00/13/51/332001351.db2.gz AGOOAAINLPQJOG-AWEZNQCLSA-N 1 0 302.443 3.539 10 0 DHAERO CC(C)Oc1cccc(C[NH2+][C@@H](CN(C)C)c2ccccc2)c1 ZINC000129309102 332018450 /nfs/dbraw/zinc/01/84/50/332018450.db2.gz CRDWLTXHNYFMMH-FQEVSTJZSA-N 1 0 312.457 3.866 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 ZINC000236955430 332254688 /nfs/dbraw/zinc/25/46/88/332254688.db2.gz CLSHZOHUQZUZSI-JLSDUUJJSA-N 1 0 318.461 3.848 10 0 DHAERO CC(C)c1nc2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2s1 ZINC000153446398 332383558 /nfs/dbraw/zinc/38/35/58/332383558.db2.gz GCWQZTKDFUQODK-NWDGAFQWSA-N 1 0 317.458 3.876 10 0 DHAERO CC(C)(C)Oc1ccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1 ZINC000195258995 335104742 /nfs/dbraw/zinc/10/47/42/335104742.db2.gz LSQCWYNKMHNCRM-IBGZPJMESA-N 1 0 312.413 3.677 10 0 DHAERO Cc1cnn(CC[NH2+][C@H](c2ccccc2)c2ccccc2C)c1 ZINC000180800712 333028891 /nfs/dbraw/zinc/02/88/91/333028891.db2.gz YHYDYMZVCPICTJ-HXUWFJFHSA-N 1 0 305.425 3.879 10 0 DHAERO CNC(=O)C(C)(C)C[NH2+][C@H](c1ccccc1)c1ccc(C)cc1C ZINC000183843730 333162674 /nfs/dbraw/zinc/16/26/74/333162674.db2.gz ATHVSFDJDWMSAG-LJQANCHMSA-N 1 0 324.468 3.755 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(Br)s2)C1 ZINC000040503003 333353599 /nfs/dbraw/zinc/35/35/99/333353599.db2.gz BXIFCRFKVZHBKK-QWRGUYRKSA-N 1 0 317.296 3.646 10 0 DHAERO C[C@H]([NH2+]CCOc1c(Cl)cccc1Cl)[C@@H]1CCCO1 ZINC000047943949 333421294 /nfs/dbraw/zinc/42/12/94/333421294.db2.gz QLYPIWBOFNZEMO-GWCFXTLKSA-N 1 0 304.217 3.529 10 0 DHAERO C[C@@H]([NH2+]CCOc1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000047943847 333421358 /nfs/dbraw/zinc/42/13/58/333421358.db2.gz CUKZNNCBABMMJD-ZWNOBZJWSA-N 1 0 304.217 3.529 10 0 DHAERO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccc(Cl)c(Cl)c1 ZINC000040807395 333538046 /nfs/dbraw/zinc/53/80/46/333538046.db2.gz FNFMGFFWGKKUIP-SNVBAGLBSA-N 1 0 323.223 3.943 10 0 DHAERO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000040774746 333539510 /nfs/dbraw/zinc/53/95/10/333539510.db2.gz DFOKMLKYZBYAFA-AAEUAGOBSA-N 1 0 305.340 3.643 10 0 DHAERO CCC[C@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1ccsc1 ZINC000187777390 334272856 /nfs/dbraw/zinc/27/28/56/334272856.db2.gz PVWKNPPWEZINOJ-CABCVRRESA-N 1 0 318.490 3.909 10 0 DHAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049129410 334314789 /nfs/dbraw/zinc/31/47/89/334314789.db2.gz BERMTUZZEMQPKG-WDEREUQCSA-N 1 0 302.871 3.747 10 0 DHAERO COc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)s2)c1 ZINC000049129539 334315262 /nfs/dbraw/zinc/31/52/62/334315262.db2.gz ZNNMOGWXDCINIU-JTQLQIEISA-N 1 0 324.833 3.699 10 0 DHAERO Cc1cc(OCC[NH+]2CCC([C@H](C)O)CC2)ccc1C(C)C ZINC000111286643 334322758 /nfs/dbraw/zinc/32/27/58/334322758.db2.gz LYXHFRMALXPEAF-INIZCTEOSA-N 1 0 305.462 3.590 10 0 DHAERO OC[C@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)c1ccco1 ZINC000125659286 334805314 /nfs/dbraw/zinc/80/53/14/334805314.db2.gz DBRUGZCIQNUJII-AWEZNQCLSA-N 1 0 322.286 3.992 10 0 DHAERO CCCOc1ccc(NC(=O)C(CC)(CC)C[NH3+])cc1Cl ZINC000165253299 334875510 /nfs/dbraw/zinc/87/55/10/334875510.db2.gz ZSYVWMIPDZWGGL-UHFFFAOYSA-N 1 0 312.841 3.832 10 0 DHAERO CO[C@]1(C)C[C@@H]([NH2+][C@@H]2CCC(=O)Nc3ccccc32)C1(C)C ZINC000329634622 336020642 /nfs/dbraw/zinc/02/06/42/336020642.db2.gz XQUWZVQPQWXWDI-IIDMSEBBSA-N 1 0 302.418 3.903 10 0 DHAERO CC(C)(C[C@@H]1CCC[N@@H+]([C@H]2CCOC3(CCC3)C2)C1)C(N)=O ZINC000333288501 336201135 /nfs/dbraw/zinc/20/11/35/336201135.db2.gz ZOJWVRZYTUHUOP-GJZGRUSLSA-N 1 0 308.466 3.752 10 0 DHAERO c1cc2c(ncnc2N[C@H]2CCC[N@@H+](C3CCCCC3)C2)s1 ZINC000301201067 336294688 /nfs/dbraw/zinc/29/46/88/336294688.db2.gz MSJPAOYPTKTUHN-ZDUSSCGKSA-N 1 0 316.474 3.900 10 0 DHAERO c1cc2c(ncnc2N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)s1 ZINC000301201065 336294709 /nfs/dbraw/zinc/29/47/09/336294709.db2.gz MSJPAOYPTKTUHN-CYBMUJFWSA-N 1 0 316.474 3.900 10 0 DHAERO CCS[C@@H]1CC[C@@]1(O)CNc1cc(C)[nH+]c2ccc(F)cc12 ZINC000301653320 336321060 /nfs/dbraw/zinc/32/10/60/336321060.db2.gz HBENOAQATWGWJE-IAGOWNOFSA-N 1 0 320.433 3.741 10 0 DHAERO Cc1cc(N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c2cc(F)ccc2[nH+]1 ZINC000301672995 336322635 /nfs/dbraw/zinc/32/26/35/336322635.db2.gz OQFXCUBWHFIZRQ-MORSLUCNSA-N 1 0 314.404 3.932 10 0 DHAERO CCC1(CC)CN(c2cc[nH+]c3cc(F)ccc32)CC[S@@]1=O ZINC000302208246 336354037 /nfs/dbraw/zinc/35/40/37/336354037.db2.gz AVWGWWKKDRHHDL-QFIPXVFZSA-N 1 0 320.433 3.501 10 0 DHAERO COCCC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(Br)cc1 ZINC000120460710 336912177 /nfs/dbraw/zinc/91/21/77/336912177.db2.gz IRVIKQKSFFTKQD-UGFHNGPFSA-N 1 0 312.251 3.915 10 0 DHAERO CC(C)[C@](C)(C[NH3+])NCc1ccc(Cl)cc1Br ZINC000305295568 337022955 /nfs/dbraw/zinc/02/29/55/337022955.db2.gz IVRYVMVGVOCKCV-ZDUSSCGKSA-N 1 0 319.674 3.566 10 0 DHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000122819391 337026714 /nfs/dbraw/zinc/02/67/14/337026714.db2.gz XGYWNVFCGYOSFA-GOSISDBHSA-N 1 0 308.429 3.855 10 0 DHAERO Cc1cnn([C@H]2CCCN(Cc3cc(Cl)ccc3F)C2)c1 ZINC000123066008 337035068 /nfs/dbraw/zinc/03/50/68/337035068.db2.gz WFVVOUGPRFDAPA-HNNXBMFYSA-N 1 0 307.800 3.821 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc(-c2cccnc2)c1 ZINC000123399015 337045591 /nfs/dbraw/zinc/04/55/91/337045591.db2.gz KDLIYVCTOLTTGY-HXUWFJFHSA-N 1 0 309.457 3.665 10 0 DHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000172290227 337091567 /nfs/dbraw/zinc/09/15/67/337091567.db2.gz WHUVPTZFFAIWKF-IBGZPJMESA-N 1 0 309.457 3.863 10 0 DHAERO C[C@@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)CCS1 ZINC000173663587 337137274 /nfs/dbraw/zinc/13/72/74/337137274.db2.gz YLINNYKJAILZDW-LLVKDONJSA-N 1 0 305.365 3.565 10 0 DHAERO COc1cccc([C@H](C)[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000175620195 337148490 /nfs/dbraw/zinc/14/84/90/337148490.db2.gz TWKHLMWYTBQMAT-JKSUJKDBSA-N 1 0 311.429 3.585 10 0 DHAERO CC[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccc(C)cc1 ZINC000176154799 337150689 /nfs/dbraw/zinc/15/06/89/337150689.db2.gz KGHAGWJCTMFKTJ-MSOLQXFVSA-N 1 0 317.477 3.572 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Cl)ccc1Cl ZINC000176974608 337153939 /nfs/dbraw/zinc/15/39/39/337153939.db2.gz OHVBADYFKNSDJW-LBPRGKRZSA-N 1 0 315.244 3.550 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccccc1-n1cccn1 ZINC000177299362 337156711 /nfs/dbraw/zinc/15/67/11/337156711.db2.gz YQGZJGPKGCDOEG-LSDHHAIUSA-N 1 0 307.397 3.990 10 0 DHAERO CCn1cc([C@H](C)N[C@@H](c2ccccc2)c2cccnc2)cn1 ZINC000178610968 337165503 /nfs/dbraw/zinc/16/55/03/337165503.db2.gz YFLSHHDMLCURCI-KXBFYZLASA-N 1 0 306.413 3.738 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1cccs1 ZINC000180498267 337175861 /nfs/dbraw/zinc/17/58/61/337175861.db2.gz NYRPAUYNFUNJFA-STQMWFEESA-N 1 0 304.463 3.519 10 0 DHAERO Cc1cc([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c(C)s1 ZINC000180635522 337176727 /nfs/dbraw/zinc/17/67/27/337176727.db2.gz UDJJFAQMCBWCFQ-JSGCOSHPSA-N 1 0 318.490 3.745 10 0 DHAERO C[C@H]1C[C@@H](C(=O)Nc2cc(C[NH+](C)C)ccn2)CC(C)(C)C1 ZINC000180930602 337178638 /nfs/dbraw/zinc/17/86/38/337178638.db2.gz ZYXZQKFFBSCFOC-DZGCQCFKSA-N 1 0 303.450 3.544 10 0 DHAERO C[C@H]([NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)c1nnc2n1CCCC2 ZINC000188089036 337270432 /nfs/dbraw/zinc/27/04/32/337270432.db2.gz SRROPRBJSNQAJY-XAUMDUMWSA-N 1 0 324.472 3.775 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccc(Cl)cc1Cl ZINC000392932403 337290827 /nfs/dbraw/zinc/29/08/27/337290827.db2.gz PRWKUHZVOCYCID-HERUPUMHSA-N 1 0 315.244 3.701 10 0 DHAERO C[C@H](COCc1ccccc1)[NH2+]Cc1nccn1-c1ccccc1 ZINC000191227770 337295046 /nfs/dbraw/zinc/29/50/46/337295046.db2.gz ISHGSLZQIJFBQB-QGZVFWFLSA-N 1 0 321.424 3.567 10 0 DHAERO C[C@H](N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000584614402 337372651 /nfs/dbraw/zinc/37/26/51/337372651.db2.gz HOBKROOOALTDOO-XAMWDVODSA-N 1 0 324.472 3.789 10 0 DHAERO C[C@H](CC[NH+]1CC=CC1)Nc1ccnc2cc(Cl)ccc21 ZINC000584637485 337379488 /nfs/dbraw/zinc/37/94/88/337379488.db2.gz RJFPDFNSBRJRJD-CYBMUJFWSA-N 1 0 301.821 3.951 10 0 DHAERO CCn1cnnc1C1CC[NH+]([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000105928479 337386799 /nfs/dbraw/zinc/38/67/99/337386799.db2.gz JQCILAJVOYKPLR-GFCCVEGCSA-N 1 0 320.387 3.517 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)c1 ZINC000106221326 337387016 /nfs/dbraw/zinc/38/70/16/337387016.db2.gz RJBXPBMYBPSUPC-OAHLLOKOSA-N 1 0 321.371 3.630 10 0 DHAERO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000122725965 337396995 /nfs/dbraw/zinc/39/69/95/337396995.db2.gz AYLWFMVPBHOVBU-GOSISDBHSA-N 1 0 313.445 3.773 10 0 DHAERO CC(C)C[C@H](C[NH+](C)C)NCc1cscc1Br ZINC000336695160 337398367 /nfs/dbraw/zinc/39/83/67/337398367.db2.gz ILIBUSVNKYIICH-GFCCVEGCSA-N 1 0 319.312 3.577 10 0 DHAERO Cc1cccc([C@H](C)C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000195043588 337464720 /nfs/dbraw/zinc/46/47/20/337464720.db2.gz LFNXBBNZPYDCRW-CRAIPNDOSA-N 1 0 306.413 3.596 10 0 DHAERO Brc1cccc(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070070283 337546245 /nfs/dbraw/zinc/54/62/45/337546245.db2.gz BMUJSVXHKDPODP-CQSZACIVSA-N 1 0 304.187 3.672 10 0 DHAERO C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc21)[C@H]1CCCO1 ZINC000252456661 337588569 /nfs/dbraw/zinc/58/85/69/337588569.db2.gz QPEFATDXNKJMAQ-NZVBXONLSA-N 1 0 310.235 3.594 10 0 DHAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000261735236 337609415 /nfs/dbraw/zinc/60/94/15/337609415.db2.gz LHASNVIWSKKBLX-UKRRQHHQSA-N 1 0 300.427 3.729 10 0 DHAERO CC1(C)CN(C(=O)c2cccc(Oc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000261752701 337609711 /nfs/dbraw/zinc/60/97/11/337609711.db2.gz DXJGTIHRJRZXPP-SFHVURJKSA-N 1 0 324.424 3.678 10 0 DHAERO CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261750704 337609750 /nfs/dbraw/zinc/60/97/50/337609750.db2.gz FDQKIWIHJFKHED-DLBZAZTESA-N 1 0 308.510 3.815 10 0 DHAERO CC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000261772193 337610297 /nfs/dbraw/zinc/61/02/97/337610297.db2.gz FSXRIBOOTXXYRC-QRVBRYPASA-N 1 0 322.452 3.529 10 0 DHAERO CCCC[C@H](CC)CC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262155861 337615518 /nfs/dbraw/zinc/61/55/18/337615518.db2.gz GJTFOBIVKKKSED-UHOSZYNNSA-N 1 0 316.489 3.794 10 0 DHAERO CC(C)(C)c1ccc(CCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000262187427 337615823 /nfs/dbraw/zinc/61/58/23/337615823.db2.gz ZLNYTDGXECJHMO-QGZVFWFLSA-N 1 0 316.489 3.503 10 0 DHAERO CCC[C@@](C)([NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000262242903 337616083 /nfs/dbraw/zinc/61/60/83/337616083.db2.gz AKHMBJANIBJTSX-QGZVFWFLSA-N 1 0 318.417 3.574 10 0 DHAERO CCc1ccc([C@H](C)[NH2+]C[C@H](O)COCc2cccs2)cc1 ZINC000121496021 337894189 /nfs/dbraw/zinc/89/41/89/337894189.db2.gz FLSBNUYYRWKWGN-YOEHRIQHSA-N 1 0 319.470 3.539 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Br)[C@@H]1CCCO1 ZINC000152868363 338213388 /nfs/dbraw/zinc/21/33/88/338213388.db2.gz YHGACVAWAWSRGJ-RBZYPMLTSA-N 1 0 316.214 3.806 10 0 DHAERO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000165210295 339052834 /nfs/dbraw/zinc/05/28/34/339052834.db2.gz ZLDZPGDLMRRDKK-JTQLQIEISA-N 1 0 317.260 3.936 10 0 DHAERO C[C@@H]([NH2+]CCCC(F)(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400468943 340147467 /nfs/dbraw/zinc/14/74/67/340147467.db2.gz UMWJUNFCMRFTIA-NEPJUHHUSA-N 1 0 324.387 3.564 10 0 DHAERO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)c1ccccc1C ZINC000190092756 340542689 /nfs/dbraw/zinc/54/26/89/340542689.db2.gz LQMQISBKRMLWFQ-QGZVFWFLSA-N 1 0 317.477 3.573 10 0 DHAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000223117691 340543817 /nfs/dbraw/zinc/54/38/17/340543817.db2.gz ZLBGALHIJSKDTC-HFBAOOFYSA-N 1 0 324.262 3.577 10 0 DHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCC[C@H]1CCO ZINC000250098161 340611934 /nfs/dbraw/zinc/61/19/34/340611934.db2.gz QZXKRCFHQSHUQB-UBHSHLNASA-N 1 0 310.507 3.951 10 0 DHAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cccc(Br)c1 ZINC000037166672 340768541 /nfs/dbraw/zinc/76/85/41/340768541.db2.gz BIQZBAPBVLTODG-HNNXBMFYSA-N 1 0 313.283 3.515 10 0 DHAERO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000130588759 341030482 /nfs/dbraw/zinc/03/04/82/341030482.db2.gz AGRWZHGUTQBOJP-LJQANCHMSA-N 1 0 321.424 3.915 10 0 DHAERO Cc1cccc(Cl)c1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000132998272 341151507 /nfs/dbraw/zinc/15/15/07/341151507.db2.gz XCAXRWDKKYZOPS-CQSZACIVSA-N 1 0 323.868 3.890 10 0 DHAERO CCCCOc1ccccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000136182038 341254632 /nfs/dbraw/zinc/25/46/32/341254632.db2.gz ZFTBLMIQJJOVIG-UHFFFAOYSA-N 1 0 313.445 3.968 10 0 DHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nc(C(C)C)nn3C1)[C@@H](C)C2 ZINC000245961784 341320103 /nfs/dbraw/zinc/32/01/03/341320103.db2.gz MRSYEDVTBOVPGY-URLQWDBASA-N 1 0 324.472 3.548 10 0 DHAERO CC(C)c1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000246321867 341342182 /nfs/dbraw/zinc/34/21/82/341342182.db2.gz ANNRGCDZKRLJAB-PBHICJAKSA-N 1 0 301.434 3.510 10 0 DHAERO CC[C@H](C)[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246439493 341348891 /nfs/dbraw/zinc/34/88/91/341348891.db2.gz OLLZUNTUBGNYTN-XUWVNRHRSA-N 1 0 310.507 3.534 10 0 DHAERO C[C@H]([NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)[C@@H]1CCCO1 ZINC000246886750 341358173 /nfs/dbraw/zinc/35/81/73/341358173.db2.gz FFJXDHXHWBISDU-LKTVYLICSA-N 1 0 315.335 3.730 10 0 DHAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccc3ccccc3c2)C1 ZINC000247027151 341360097 /nfs/dbraw/zinc/36/00/97/341360097.db2.gz SWRNFPGDEUUZED-DNVCBOLYSA-N 1 0 310.441 3.544 10 0 DHAERO CCCCOC[C@@H](O)C[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000248650189 341382806 /nfs/dbraw/zinc/38/28/06/341382806.db2.gz LSQKYHZTNWHPFQ-IRXDYDNUSA-N 1 0 309.450 3.683 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C(C)C)C12CCOCC2 ZINC000248912374 341390055 /nfs/dbraw/zinc/39/00/55/341390055.db2.gz CJLCKXAKHFEZCI-OTWHNJEPSA-N 1 0 317.473 3.948 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C12CCOCC2 ZINC000249025688 341392187 /nfs/dbraw/zinc/39/21/87/341392187.db2.gz RNZXVJOGGGCCBI-VSZNYVQBSA-N 1 0 307.478 3.519 10 0 DHAERO Cc1nc(C[C@H]2CCC[N@@H+](C[C@@H]3C(C)=CCC[C@@H]3C)C2)no1 ZINC000249098876 341393843 /nfs/dbraw/zinc/39/38/43/341393843.db2.gz PASHNUDHHNFUIK-USXIJHARSA-N 1 0 303.450 3.625 10 0 DHAERO C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc(O)c1 ZINC000249586047 341399599 /nfs/dbraw/zinc/39/95/99/341399599.db2.gz OIBIKONZYWKILK-LNSITVRQSA-N 1 0 317.351 3.526 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1OC(F)F ZINC000165278753 341710719 /nfs/dbraw/zinc/71/07/19/341710719.db2.gz ZXJXVBAFKNWEDG-BIMULSAOSA-N 1 0 319.779 3.896 10 0 DHAERO CC(=O)NC1CCC([NH2+][C@H]2c3ccccc3CCC2(C)C)CC1 ZINC000161678929 519645579 /nfs/dbraw/zinc/64/55/79/519645579.db2.gz WEUQVNHMTTYJKS-TVPLGVNVSA-N 1 0 314.473 3.737 10 0 DHAERO CC(C)c1nc2c(n1C)CC[N@H+](CCCc1cccc(F)c1)C2 ZINC000182763398 519868943 /nfs/dbraw/zinc/86/89/43/519868943.db2.gz DXZNDOUZKXDXMU-UHFFFAOYSA-N 1 0 315.436 3.674 10 0 DHAERO CCC[C@@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1 ZINC000180527613 520794659 /nfs/dbraw/zinc/79/46/59/520794659.db2.gz BZZMZRFRBJZUEF-DLBZAZTESA-N 1 0 312.461 3.847 10 0 DHAERO CCC[C@H](C(=O)Nc1ccc(Oc2ccncc2)cc1)[NH+](C)C ZINC000161856621 520989300 /nfs/dbraw/zinc/98/93/00/520989300.db2.gz NVBJUHQZEIKCMP-QGZVFWFLSA-N 1 0 313.401 3.543 10 0 DHAERO CCC[C@H](CC1CCCCC1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248640413 521089577 /nfs/dbraw/zinc/08/95/77/521089577.db2.gz REBMMCIPVAQOJK-VSZNYVQBSA-N 1 0 306.494 3.569 10 0 DHAERO CCCC[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000246195104 521225245 /nfs/dbraw/zinc/22/52/45/521225245.db2.gz DNRLERXKRCFQEQ-JZXOWHBKSA-N 1 0 318.461 3.560 10 0 DHAERO CC[C@H](NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000226818663 522494817 /nfs/dbraw/zinc/49/48/17/522494817.db2.gz NKZMLSJHCKHWGZ-DUVNUKRYSA-N 1 0 302.443 3.652 10 0 DHAERO Cc1cc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c2ccccc2n1 ZINC000124500595 524684037 /nfs/dbraw/zinc/68/40/37/524684037.db2.gz HBXWPECCGOLADQ-LJQANCHMSA-N 1 0 306.413 3.614 10 0 DHAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1C ZINC000180535000 524832220 /nfs/dbraw/zinc/83/22/20/524832220.db2.gz BLKOZIOWEQDINB-HZPDHXFCSA-N 1 0 312.461 3.684 10 0 DHAERO C[C@H](NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1ccccc1Cl ZINC000237423457 525127821 /nfs/dbraw/zinc/12/78/21/525127821.db2.gz MTVKTBRFZXUBTD-GDZNZVCISA-N 1 0 316.832 3.853 10 0 DHAERO C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc(-c2ccccc2)cc1 ZINC000181427006 525362809 /nfs/dbraw/zinc/36/28/09/525362809.db2.gz WNNPHTMGKORCRC-KXBFYZLASA-N 1 0 309.409 3.957 10 0 DHAERO COc1ccc2ccccc2c1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128375527 525650359 /nfs/dbraw/zinc/65/03/59/525650359.db2.gz SLVJKARIKLEVHK-INIZCTEOSA-N 1 0 321.424 3.571 10 0 DHAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(-c2cccs2)cc1 ZINC000180586226 525653012 /nfs/dbraw/zinc/65/30/12/525653012.db2.gz PYRIYOFTOIGQCM-CZUORRHYSA-N 1 0 324.453 3.672 10 0 DHAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c(C)c1 ZINC000180532580 525744783 /nfs/dbraw/zinc/74/47/83/525744783.db2.gz UMQDERKMIMKAMQ-HZPDHXFCSA-N 1 0 312.461 3.684 10 0 DHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)o1 ZINC000158175634 525932687 /nfs/dbraw/zinc/93/26/87/525932687.db2.gz HPQMKVLDDDLNHT-ZFWWWQNUSA-N 1 0 300.402 3.680 10 0 DHAERO C[C@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000156125250 526243744 /nfs/dbraw/zinc/24/37/44/526243744.db2.gz MHYOTTFMVAQKMS-VNHYZAJKSA-N 1 0 308.853 3.543 10 0 DHAERO Cc1csc([C@H]2CCC[N@H+](CCCCCn3cccn3)C2)n1 ZINC000104680968 526442792 /nfs/dbraw/zinc/44/27/92/526442792.db2.gz HQVQKQOBSKVXRM-INIZCTEOSA-N 1 0 318.490 3.698 10 0 DHAERO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000180240410 527663494 /nfs/dbraw/zinc/66/34/94/527663494.db2.gz VUJQZKAQYWXFHA-ICSRJNTNSA-N 1 0 321.424 3.651 10 0 DHAERO Cc1nn(C)cc1C[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000163304963 527693373 /nfs/dbraw/zinc/69/33/73/527693373.db2.gz KZGAFWHEYPBYHP-QGZVFWFLSA-N 1 0 311.429 3.655 10 0 DHAERO Cc1cccc([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1F ZINC000675054305 563861667 /nfs/dbraw/zinc/86/16/67/563861667.db2.gz MYNNDAILGSUXDC-GXTWGEPZSA-N 1 0 308.397 3.533 10 0 DHAERO CCOc1c(C[NH2+][C@H](C)CC)cc(Br)cc1OC ZINC000010474900 563357680 /nfs/dbraw/zinc/35/76/80/563357680.db2.gz MFBYHTJSWLEXJK-SNVBAGLBSA-N 1 0 316.239 3.745 10 0 DHAERO C[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)[NH2+]CCc1ccsc12 ZINC000712521446 563320987 /nfs/dbraw/zinc/32/09/87/563320987.db2.gz AHMNBSNWKICZEC-SJKOYZFVSA-N 1 0 322.474 3.509 10 0 DHAERO C[C@@H]1[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000068592779 563495046 /nfs/dbraw/zinc/49/50/46/563495046.db2.gz MIYNQZRSMKSJTR-INMHGKMJSA-N 1 0 318.461 3.810 10 0 DHAERO C[C@@H]1[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000068593165 563495869 /nfs/dbraw/zinc/49/58/69/563495869.db2.gz SUMRNPXVOUVXAY-UXLLHSPISA-N 1 0 318.461 3.810 10 0 DHAERO CC(C)(C)C[C@@H]1C[NH2+]C2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000725255650 563558649 /nfs/dbraw/zinc/55/86/49/563558649.db2.gz HFUSTHHMFMDQCC-AWEZNQCLSA-N 1 0 310.482 3.802 10 0 DHAERO Cc1ccccc1-c1cnc(NC(=O)CC[C@@H]2CCC[NH2+]2)s1 ZINC000225520351 563758116 /nfs/dbraw/zinc/75/81/16/563758116.db2.gz MYCDKZRZCBVEJG-ZDUSSCGKSA-N 1 0 315.442 3.589 10 0 DHAERO Cc1cccc([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1C ZINC000675053676 563861286 /nfs/dbraw/zinc/86/12/86/563861286.db2.gz JYTJHBPPPXGEBR-HOCLYGCPSA-N 1 0 304.434 3.703 10 0 DHAERO Cc1cccc([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1C ZINC000675053671 563861339 /nfs/dbraw/zinc/86/13/39/563861339.db2.gz JYTJHBPPPXGEBR-GDBMZVCRSA-N 1 0 304.434 3.703 10 0 DHAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccccc1Cl ZINC000675054704 563869000 /nfs/dbraw/zinc/86/90/00/563869000.db2.gz PBLGODCKCCYQRQ-BXUZGUMPSA-N 1 0 310.825 3.739 10 0 DHAERO Brc1csc([C@@H]2[NH2+]CCc3sccc32)c1 ZINC000084723246 563912626 /nfs/dbraw/zinc/91/26/26/563912626.db2.gz ZKDUKNKQPWWWMH-LLVKDONJSA-N 1 0 300.246 3.807 10 0 DHAERO Cc1cccc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1C ZINC000675055451 568420036 /nfs/dbraw/zinc/42/00/36/568420036.db2.gz SJJZXCDPHNEUMN-HOCLYGCPSA-N 1 0 304.434 3.621 10 0 DHAERO CCc1cccc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675055378 568420040 /nfs/dbraw/zinc/42/00/40/568420040.db2.gz RRVYRSQLQZONER-HZPDHXFCSA-N 1 0 304.434 3.567 10 0 DHAERO C[N+](C)(C)c1ccc(/C=N/N(CCC#N)c2ccccc2)cc1 ZINC000044712478 717129961 /nfs/dbraw/zinc/12/99/61/717129961.db2.gz PMRPZSQDNGAOPH-LTGZKZEYSA-N 1 0 307.421 3.637 10 0 DHAERO Cc1cc(-c2nnc(C[N@H+]3CC[C@@H](C)C[C@H](C)C3)o2)c(C)o1 ZINC000089934682 1014493716 /nfs/dbraw/zinc/49/37/16/1014493716.db2.gz PXYMFTGONZZRIN-NEPJUHHUSA-N 1 0 303.406 3.814 10 0 DHAERO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1cc[nH]c1)c1cccs1 ZINC000091891850 1032463986 /nfs/dbraw/zinc/46/39/86/1032463986.db2.gz GNCAXEDGQMLKCX-JKSUJKDBSA-N 1 0 304.459 3.945 10 0 DHAERO c1csc(-c2nc(CN3CCC[N@@H+](C4CC4)CC3)cs2)c1 ZINC000061041410 1025929935 /nfs/dbraw/zinc/92/99/35/1025929935.db2.gz JSDKNCIOOUNRTL-UHFFFAOYSA-N 1 0 319.499 3.542 10 0 DHAERO CCC[NH2+][C@H](C)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000076784402 185041413 /nfs/dbraw/zinc/04/14/13/185041413.db2.gz GMYWESKOWLGAHC-LLVKDONJSA-N 1 0 306.431 3.888 10 0 DHAERO CC(C)[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000095642738 185382974 /nfs/dbraw/zinc/38/29/74/185382974.db2.gz XFKIFDHXCLAUQA-KRWDZBQOSA-N 1 0 318.461 3.764 10 0 DHAERO O[C@H](c1ccc(Br)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000083165712 185215505 /nfs/dbraw/zinc/21/55/05/185215505.db2.gz GVCWWKLEICUGLP-ZBEGNZNMSA-N 1 0 320.230 3.635 10 0 DHAERO CCCC[C@H]1CN(C(=O)OC(C)(C)C)CCC12CC[NH2+]CC2 ZINC000083330775 185222099 /nfs/dbraw/zinc/22/20/99/185222099.db2.gz JJKHYJFHNBMARC-HNNXBMFYSA-N 1 0 310.482 3.803 10 0 DHAERO C[C@H]([NH3+])Cc1ccc(OCc2cccc(Br)c2)cc1 ZINC000037723626 190665315 /nfs/dbraw/zinc/66/53/15/190665315.db2.gz GQXVPQXMMDSAOG-LBPRGKRZSA-N 1 0 320.230 3.918 10 0 DHAERO CC[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCOC1 ZINC000070579369 190907057 /nfs/dbraw/zinc/90/70/57/190907057.db2.gz NFIPXAMZTDFOJD-DOMZBBRYSA-N 1 0 302.245 3.941 10 0 DHAERO COc1ccc(-c2cc(C[C@@H]3C[C@H]([NH+](C)C)C3(C)C)no2)cc1 ZINC000072320742 191120578 /nfs/dbraw/zinc/12/05/78/191120578.db2.gz RUXQACUIJUNYNJ-KDOFPFPSSA-N 1 0 314.429 3.869 10 0 DHAERO CCC[NH2+]CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000003292348 181001077 /nfs/dbraw/zinc/00/10/77/181001077.db2.gz HOTBVXGZSDABFA-UHFFFAOYSA-N 1 0 309.413 3.753 10 0 DHAERO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000003619653 181042045 /nfs/dbraw/zinc/04/20/45/181042045.db2.gz MOQYAXZTIUPVLH-LJQANCHMSA-N 1 0 308.425 3.704 10 0 DHAERO Cc1ccccc1[C@H](C)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000073414787 191313845 /nfs/dbraw/zinc/31/38/45/191313845.db2.gz GEHYPVFSJWTDQV-DLBZAZTESA-N 1 0 317.477 3.572 10 0 DHAERO C[C@@H]1C[C@@H]([NH2+]C(C)(C)C)CCN1C(=O)OCc1ccccc1 ZINC000073657113 191338452 /nfs/dbraw/zinc/33/84/52/191338452.db2.gz GWVBCAIXEQPTDQ-ZBFHGGJFSA-N 1 0 304.434 3.564 10 0 DHAERO CCc1nc(-c2ccc(C)cc2)nc(NC[C@@H]2CCC[NH2+]C2)c1C ZINC000073684757 191341298 /nfs/dbraw/zinc/34/12/98/191341298.db2.gz VWYOQCHTZACXOW-MRXNPFEDSA-N 1 0 324.472 3.734 10 0 DHAERO Clc1nc2c3ccccc3sc2c(NC2CC[NH2+]CC2)n1 ZINC000073736324 191348971 /nfs/dbraw/zinc/34/89/71/191348971.db2.gz WINGBNOFANGWOG-UHFFFAOYSA-N 1 0 318.833 3.662 10 0 DHAERO CCOC(=O)[C@H](c1ccccc1)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000005326288 181229827 /nfs/dbraw/zinc/22/98/27/181229827.db2.gz ZJRYRGYVCLTRCT-QZTJIDSGSA-N 1 0 303.446 3.844 10 0 DHAERO Clc1ccc(C[C@H]2COCC[C@@H]2[NH2+]C2CC2)cc1Cl ZINC000095073887 193416053 /nfs/dbraw/zinc/41/60/53/193416053.db2.gz FWUUQLATINEMAM-NHYWBVRUSA-N 1 0 300.229 3.693 10 0 DHAERO Clc1ccc(Cl)c(C[C@H]2COCC[C@@H]2[NH2+]C2CC2)c1 ZINC000095073905 193416448 /nfs/dbraw/zinc/41/64/48/193416448.db2.gz KPWMXRGTBZNCQH-NHYWBVRUSA-N 1 0 300.229 3.693 10 0 DHAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000019233407 182111250 /nfs/dbraw/zinc/11/12/50/182111250.db2.gz MVKAYKUWHUBLHL-KBUNVGBDSA-N 1 0 309.624 3.959 10 0 DHAERO CCCCN(CC)[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000019423849 182122386 /nfs/dbraw/zinc/12/23/86/182122386.db2.gz VQCQMRNXDMCHTE-CQSZACIVSA-N 1 0 317.246 3.710 10 0 DHAERO COc1cc([C@H]([NH3+])c2ccc(Br)cc2)ccc1C ZINC000019514164 182127631 /nfs/dbraw/zinc/12/76/31/182127631.db2.gz DPBBORSRERNHRF-OAHLLOKOSA-N 1 0 306.203 3.814 10 0 DHAERO [NH3+]C1(C(=O)Nc2ccccc2SC(F)F)CCCCC1 ZINC000019809713 182152916 /nfs/dbraw/zinc/15/29/16/182152916.db2.gz OUHZVCSJGHFNPS-UHFFFAOYSA-N 1 0 300.374 3.601 10 0 DHAERO [NH3+][C@H](Cc1ccc(Br)cc1)c1ccc(F)cc1F ZINC000019968939 182171348 /nfs/dbraw/zinc/17/13/48/182171348.db2.gz QPTGMMGHMDONEG-CQSZACIVSA-N 1 0 312.157 3.970 10 0 DHAERO COc1ccc([C@H]([NH3+])c2cc(Br)ccc2F)c(C)c1 ZINC000019972186 182172441 /nfs/dbraw/zinc/17/24/41/182172441.db2.gz NHUMENNLGHBXBU-HNNXBMFYSA-N 1 0 324.193 3.953 10 0 DHAERO CCCN(CCC)[C@@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000020023251 182179795 /nfs/dbraw/zinc/17/97/95/182179795.db2.gz JCDFOPXKXGJQQB-ZDUSSCGKSA-N 1 0 304.356 3.707 10 0 DHAERO CC(C)[C@@H](CN[C@@H](C)c1ccccc1Br)[NH+](C)C ZINC000020145651 182192165 /nfs/dbraw/zinc/19/21/65/182192165.db2.gz GIOTWZRMDHGGQK-SWLSCSKDSA-N 1 0 313.283 3.686 10 0 DHAERO CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(Br)c1)N(C)C ZINC000020145587 182192515 /nfs/dbraw/zinc/19/25/15/182192515.db2.gz HXXPBOJALIHZOZ-IUODEOHRSA-N 1 0 313.283 3.686 10 0 DHAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000020081941 182185493 /nfs/dbraw/zinc/18/54/93/182185493.db2.gz GQSBOZFQEQJSIB-ZOWXZIJZSA-N 1 0 300.368 3.683 10 0 DHAERO CN(Cc1ccccc1F)[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000020226277 182198713 /nfs/dbraw/zinc/19/87/13/182198713.db2.gz QWZMNMOLSYHTQO-OAHLLOKOSA-N 1 0 310.775 3.750 10 0 DHAERO Cc1ccc(-c2csc3nc(C)nc(NCCC[NH3+])c23)cc1 ZINC000020324189 182207741 /nfs/dbraw/zinc/20/77/41/182207741.db2.gz DQQRIZHMFFAJEG-UHFFFAOYSA-N 1 0 312.442 3.736 10 0 DHAERO c1ccc(CCN2CC[NH+](C[C@@H]3CC34CCCCC4)CC2)cc1 ZINC000020540314 182228713 /nfs/dbraw/zinc/22/87/13/182228713.db2.gz HKGGWIUGDTXQHX-FQEVSTJZSA-N 1 0 312.501 3.817 10 0 DHAERO Cc1ccc(COc2cccc(C[NH2+]C[C@H]3CCCO3)c2)cc1 ZINC000020874450 182251035 /nfs/dbraw/zinc/25/10/35/182251035.db2.gz AIKHXKQJFYTXOK-HXUWFJFHSA-N 1 0 311.425 3.843 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)CC1CCCC1 ZINC000023247744 182354459 /nfs/dbraw/zinc/35/44/59/182354459.db2.gz XBSBDOZFXFDZRW-IBGZPJMESA-N 1 0 301.478 3.558 10 0 DHAERO OC1CCC([NH2+]C2CC(c3ccccc3Br)C2)CC1 ZINC000036842097 182848286 /nfs/dbraw/zinc/84/82/86/182848286.db2.gz HTXCSQBFBFKNAN-UHFFFAOYSA-N 1 0 324.262 3.588 10 0 DHAERO [NH3+][C@H](Cc1ccc(Br)cc1)c1cc(F)cc(F)c1 ZINC000038128380 182994033 /nfs/dbraw/zinc/99/40/33/182994033.db2.gz SCMSPADWRIPTSA-CQSZACIVSA-N 1 0 312.157 3.970 10 0 DHAERO COc1ccc(C[C@@H](C[NH3+])Cc2ccc(Cl)cc2)cc1F ZINC000041540905 183200827 /nfs/dbraw/zinc/20/08/27/183200827.db2.gz SSHZUGKZBCLQFP-AWEZNQCLSA-N 1 0 307.796 3.848 10 0 DHAERO C[N@H+](Cc1cc(Br)cs1)Cc1ccccc1N ZINC000042398013 183264053 /nfs/dbraw/zinc/26/40/53/183264053.db2.gz RMRJZGDCJAIGST-UHFFFAOYSA-N 1 0 311.248 3.725 10 0 DHAERO CN(Cc1cscn1)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000042863474 183315474 /nfs/dbraw/zinc/31/54/74/183315474.db2.gz HGJSZIAWTFZPQN-LBPRGKRZSA-N 1 0 316.257 3.582 10 0 DHAERO Cc1ccc(O[C@H](C[NH3+])c2ccccc2)c(Br)c1 ZINC000042899942 183317351 /nfs/dbraw/zinc/31/73/51/183317351.db2.gz KIQYOHLZFIBRBK-OAHLLOKOSA-N 1 0 306.203 3.836 10 0 DHAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1Br)c1ccccc1 ZINC000042903794 183317873 /nfs/dbraw/zinc/31/78/73/183317873.db2.gz PZDQUAMIAOJCQS-ABAIWWIYSA-N 1 0 306.203 3.916 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCC[C@@H](C)C1 ZINC000042951878 183320874 /nfs/dbraw/zinc/32/08/74/183320874.db2.gz SQJSLVFCZNLXJT-LALPHHSUSA-N 1 0 311.267 3.569 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)Cc1ccco1 ZINC000042953142 183321386 /nfs/dbraw/zinc/32/13/86/183321386.db2.gz WGALBKLQZMSPLY-IAQYHMDHSA-N 1 0 323.234 3.562 10 0 DHAERO CC[C@H](N)[C@@H](c1ccc(Br)cc1)[N@H+](C)CC(C)C ZINC000042952911 183321991 /nfs/dbraw/zinc/32/19/91/183321991.db2.gz ZIXNJFVLRGFAKE-LSDHHAIUSA-N 1 0 313.283 3.815 10 0 DHAERO COc1cccc(O[C@@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000042956587 183322775 /nfs/dbraw/zinc/32/27/75/183322775.db2.gz BGTLRJULPXFVJC-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO C[C@@H]([NH3+])[C@H](OCc1ccco1)c1ccc(Br)cc1 ZINC000042956357 183322812 /nfs/dbraw/zinc/32/28/12/183322812.db2.gz SPXOTBHABDEYJJ-YGRLFVJLSA-N 1 0 310.191 3.647 10 0 DHAERO Cc1cccc([C@@H](C[NH3+])Oc2ccc(F)cc2Br)c1 ZINC000042967961 183324441 /nfs/dbraw/zinc/32/44/41/183324441.db2.gz KQHQAOGOTIFHCY-OAHLLOKOSA-N 1 0 324.193 3.975 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)Cc1ccoc1 ZINC000043021192 183329938 /nfs/dbraw/zinc/32/99/38/183329938.db2.gz SNNRWYKVFOKSHA-NHYWBVRUSA-N 1 0 323.234 3.562 10 0 DHAERO COc1ccc(O[C@H](C[NH3+])c2cccc(Br)c2)cc1 ZINC000043022740 183330304 /nfs/dbraw/zinc/33/03/04/183330304.db2.gz NVNKXYLDMSEDBQ-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO COc1cccc([C@H](C[NH3+])Oc2ccccc2Br)c1 ZINC000043030254 183331435 /nfs/dbraw/zinc/33/14/35/183331435.db2.gz KEUVEDCXUDMYJV-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO C[C@H]([N@H+](C)CC(=O)c1cccc(Br)c1)C(C)(C)C ZINC000042773755 183306975 /nfs/dbraw/zinc/30/69/75/183306975.db2.gz ITPJXCBEDZZACK-NSHDSACASA-N 1 0 312.251 3.998 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)n1nc(C)cc1C ZINC000043093709 183336628 /nfs/dbraw/zinc/33/66/28/183336628.db2.gz ATIBDAZDQMLOEG-GJZGRUSLSA-N 1 0 322.250 3.589 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)n1nc(C)cc1C ZINC000043093706 183336688 /nfs/dbraw/zinc/33/66/88/183336688.db2.gz ATIBDAZDQMLOEG-LSDHHAIUSA-N 1 0 322.250 3.589 10 0 DHAERO [NH3+]C[C@@H](Sc1ccccn1)c1ccccc1Br ZINC000043095869 183337550 /nfs/dbraw/zinc/33/75/50/183337550.db2.gz CDSUWBDWNKNKTF-GFCCVEGCSA-N 1 0 309.232 3.636 10 0 DHAERO CC[C@H]([NH3+])[C@@H](OCC(C)C)c1ccccc1Br ZINC000043094620 183337649 /nfs/dbraw/zinc/33/76/49/183337649.db2.gz FBIVEEZNTSCZRO-KBPBESRZSA-N 1 0 300.240 3.900 10 0 DHAERO C[C@H]([NH3+])[C@H](Oc1ccc(Br)cc1)c1cccs1 ZINC000043108220 183337992 /nfs/dbraw/zinc/33/79/92/183337992.db2.gz ORNXKRNFFWOTJF-ZANVPECISA-N 1 0 312.232 3.978 10 0 DHAERO [NH3+]C[C@H](Oc1ccc(F)cc1Br)c1cccs1 ZINC000043107787 183338477 /nfs/dbraw/zinc/33/84/77/183338477.db2.gz FGCUBHLEQAGBFE-NSHDSACASA-N 1 0 316.195 3.729 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)N1CCC[C@@H]1C ZINC000043092389 183335835 /nfs/dbraw/zinc/33/58/35/183335835.db2.gz NRZYKGLNUZTZFA-CQDKDKBSSA-N 1 0 311.267 3.712 10 0 DHAERO CCCCCN(C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091387 183336008 /nfs/dbraw/zinc/33/60/08/183336008.db2.gz YSBLYTONZQPZNJ-IUODEOHRSA-N 1 0 313.283 3.959 10 0 DHAERO [NH3+]C[C@@H](Oc1ccccc1F)c1ccccc1Br ZINC000043094192 183336577 /nfs/dbraw/zinc/33/65/77/183336577.db2.gz XHSHURXYAPUIJY-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171443 194189365 /nfs/dbraw/zinc/18/93/65/194189365.db2.gz DKXFMWYBMOQLNK-OLZOCXBDSA-N 1 0 322.815 3.544 10 0 DHAERO CC(C)Oc1cccc(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000106183109 194189752 /nfs/dbraw/zinc/18/97/52/194189752.db2.gz RZMAQCUJACNWFX-UHFFFAOYSA-N 1 0 313.445 3.583 10 0 DHAERO CC(C)(C)CCOc1c(Br)cccc1CC[NH3+] ZINC000049256255 183722795 /nfs/dbraw/zinc/72/27/95/183722795.db2.gz OIAFQDHJVUPIOR-UHFFFAOYSA-N 1 0 300.240 3.765 10 0 DHAERO CC[NH2+][C@H](C)[C@@H](C)CCOc1ccc(Br)cc1 ZINC000049596934 183745562 /nfs/dbraw/zinc/74/55/62/183745562.db2.gz YYXINHSASBTDOX-NWDGAFQWSA-N 1 0 300.240 3.852 10 0 DHAERO C[NH2+][C@H]1CCCC[C@@H]1CCOc1cccc(Br)c1 ZINC000049597136 183745575 /nfs/dbraw/zinc/74/55/75/183745575.db2.gz TVBMWOMHIDTYSG-DOMZBBRYSA-N 1 0 312.251 3.996 10 0 DHAERO CCC[NH2+][C@H](C)CCCOc1cccc(Br)c1 ZINC000049596846 183745806 /nfs/dbraw/zinc/74/58/06/183745806.db2.gz VZIISEOEJSNROC-GFCCVEGCSA-N 1 0 300.240 3.996 10 0 DHAERO CC[NH2+][C@@H](C)[C@@H](C)CCOc1ccc(Br)cc1 ZINC000049596933 183745816 /nfs/dbraw/zinc/74/58/16/183745816.db2.gz YYXINHSASBTDOX-RYUDHWBXSA-N 1 0 300.240 3.852 10 0 DHAERO CC(C)[NH2+]C[C@H](OCC1CC1)c1ccc(Br)cc1 ZINC000050485125 183788152 /nfs/dbraw/zinc/78/81/52/183788152.db2.gz CMBBRIZQRGLCJU-HNNXBMFYSA-N 1 0 312.251 3.915 10 0 DHAERO CCC[C@H](C[NH2+]C)Cc1cc(Br)ccc1OC ZINC000052969339 183882645 /nfs/dbraw/zinc/88/26/45/183882645.db2.gz SHLXLBRRBYVCFK-NSHDSACASA-N 1 0 300.240 3.636 10 0 DHAERO Cc1ccccc1N[C@H](C[NH3+])c1cccc(Br)c1 ZINC000057634080 184043219 /nfs/dbraw/zinc/04/32/19/184043219.db2.gz NRAKAYOQPDDKJM-OAHLLOKOSA-N 1 0 305.219 3.869 10 0 DHAERO C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)CC1CCOCC1 ZINC000060703540 184154473 /nfs/dbraw/zinc/15/44/73/184154473.db2.gz SVGDEGBDFYKUPH-CYBMUJFWSA-N 1 0 302.245 3.941 10 0 DHAERO CCC[NH2+][C@@H](COCCC)Cc1cc(Br)cs1 ZINC000060702360 184154512 /nfs/dbraw/zinc/15/45/12/184154512.db2.gz VKOXAFGJPZILFR-GFCCVEGCSA-N 1 0 320.296 3.848 10 0 DHAERO CC(C)[C@H](CCOc1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000061686422 184182114 /nfs/dbraw/zinc/18/21/14/184182114.db2.gz GQJXNDSXWWXSBA-RISCZKNCSA-N 1 0 300.240 3.837 10 0 DHAERO C[C@@H]([NH3+])c1ccc(-n2ccc(C3CC3)n2)c(Br)c1 ZINC000061698580 184183838 /nfs/dbraw/zinc/18/38/38/184183838.db2.gz DVRQELZXLBHSOS-SECBINFHSA-N 1 0 306.207 3.532 10 0 DHAERO C[C@@H]([NH3+])c1ccc(-n2ncc3ccccc32)c(Br)c1 ZINC000061698506 184183875 /nfs/dbraw/zinc/18/38/75/184183875.db2.gz KDZOAOPMSQXUIB-SNVBAGLBSA-N 1 0 316.202 3.808 10 0 DHAERO C[C@@H](NCC[N@H+](C)C1CC1)c1c(Cl)ccc(F)c1Cl ZINC000061992704 184200614 /nfs/dbraw/zinc/20/06/14/184200614.db2.gz YZIOAYSDBGMWRZ-SECBINFHSA-N 1 0 305.224 3.877 10 0 DHAERO C[NH2+][C@@H](Cc1ccccc1Br)c1ccc(C)nc1 ZINC000062950422 184261902 /nfs/dbraw/zinc/26/19/02/184261902.db2.gz YJVVVUZPAHKTSY-HNNXBMFYSA-N 1 0 305.219 3.656 10 0 DHAERO COc1ccc(Br)cc1[C@H]([NH3+])c1cc(F)ccc1C ZINC000062665139 184247371 /nfs/dbraw/zinc/24/73/71/184247371.db2.gz KPTDTJSCNNGCCM-OAHLLOKOSA-N 1 0 324.193 3.953 10 0 DHAERO CCC[NH2+]Cc1ccc(OCC(F)F)c(Br)c1 ZINC000062701639 184248141 /nfs/dbraw/zinc/24/81/41/184248141.db2.gz DTDPBCHDGXTOFC-UHFFFAOYSA-N 1 0 308.166 3.593 10 0 DHAERO Cc1ccc(C[N@@H+]2CC[C@@H]3O[C@H](COCC4CC4)CC[C@@H]32)s1 ZINC000248096551 257109543 /nfs/dbraw/zinc/10/95/43/257109543.db2.gz MOZWXXOXXQNXQM-SZMVWBNQSA-N 1 0 321.486 3.605 10 0 DHAERO Clc1ncc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)s1 ZINC000275977682 257256986 /nfs/dbraw/zinc/25/69/86/257256986.db2.gz OAXUHEULLCUBAN-CYBMUJFWSA-N 1 0 322.865 3.736 10 0 DHAERO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000238855921 257260229 /nfs/dbraw/zinc/26/02/29/257260229.db2.gz UCWSKARTULHLTN-BFYDXBDKSA-N 1 0 318.461 3.810 10 0 DHAERO Cc1ccc(CN(C)CC[C@@H]([NH3+])C(C)C)c(Br)c1 ZINC000164128361 132129554 /nfs/dbraw/zinc/12/95/54/132129554.db2.gz MTPPLLWAOYFLQP-OAHLLOKOSA-N 1 0 313.283 3.563 10 0 DHAERO CSC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000187742679 332146709 /nfs/dbraw/zinc/14/67/09/332146709.db2.gz QUMJMOKKNRADJA-KBXCAEBGSA-N 1 0 301.455 3.728 10 0 DHAERO CC[C@@]1(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000215696412 332196674 /nfs/dbraw/zinc/19/66/74/332196674.db2.gz CLUIKQYVMHRRFX-BONVTDFDSA-N 1 0 315.244 3.703 10 0 DHAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000261781485 332313633 /nfs/dbraw/zinc/31/36/33/332313633.db2.gz PHXQKLAHLCKIDQ-MAZHCROVSA-N 1 0 306.837 3.521 10 0 DHAERO Cc1sc2nc(C)nc(NC[C@@H]3CCC[C@@H]([NH3+])C3)c2c1C ZINC000261794186 332371312 /nfs/dbraw/zinc/37/13/12/332371312.db2.gz YDBGNMZQIBOOQQ-CHWSQXEVSA-N 1 0 304.463 3.546 10 0 DHAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000261818087 332416918 /nfs/dbraw/zinc/41/69/18/332416918.db2.gz WKESUKVYAPBJPZ-CXAGYDPISA-N 1 0 306.409 3.584 10 0 DHAERO Cc1ccc([C@H](C)NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000261848268 332504805 /nfs/dbraw/zinc/50/48/05/332504805.db2.gz ZQNKROCZNURFHQ-JTDSTZFVSA-N 1 0 310.441 3.817 10 0 DHAERO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+]([C@H]2C=CCCC2)C1 ZINC000178843099 333020884 /nfs/dbraw/zinc/02/08/84/333020884.db2.gz SERPUABFDQWOCI-XHSDSOJGSA-N 1 0 311.347 3.922 10 0 DHAERO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+]([C@H]2C=CCCC2)C1 ZINC000178843106 333020896 /nfs/dbraw/zinc/02/08/96/333020896.db2.gz SERPUABFDQWOCI-ARFHVFGLSA-N 1 0 311.347 3.922 10 0 DHAERO Fc1ccc(Cl)c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000189028684 333061483 /nfs/dbraw/zinc/06/14/83/333061483.db2.gz PETPVGYLXNEZKC-CYBMUJFWSA-N 1 0 319.811 3.808 10 0 DHAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1SC1CCCC1 ZINC000111264403 333063343 /nfs/dbraw/zinc/06/33/43/333063343.db2.gz SUEQEHOVGGQPDU-TZMCWYRMSA-N 1 0 304.459 3.515 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCCC(C)(F)F)C1 ZINC000390088794 333223602 /nfs/dbraw/zinc/22/36/02/333223602.db2.gz HPVREVDRWWIKNR-ZDUSSCGKSA-N 1 0 320.424 3.659 10 0 DHAERO c1ccc(N2CCC[N@@H+](Cc3ccc4ccccc4n3)CC2)cc1 ZINC000124015448 333350282 /nfs/dbraw/zinc/35/02/82/333350282.db2.gz JHHMUKSQCMSCCF-UHFFFAOYSA-N 1 0 317.436 3.947 10 0 DHAERO CCN1CCC[C@H]([NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000040503007 333353605 /nfs/dbraw/zinc/35/36/05/333353605.db2.gz BQKSFAKSRAWTBQ-KRWDZBQOSA-N 1 0 300.471 3.989 10 0 DHAERO C[C@H]([NH2+]CC(=O)NC1CCCCCC1)c1cccc(Cl)c1 ZINC000048694985 334297445 /nfs/dbraw/zinc/29/74/45/334297445.db2.gz WFJXKCFARCTURJ-ZDUSSCGKSA-N 1 0 308.853 3.830 10 0 DHAERO CCCc1cc(N2CC[C@@H](c3cnn(C)c3)C2)c2ccccc2[nH+]1 ZINC000125239927 334789431 /nfs/dbraw/zinc/78/94/31/334789431.db2.gz NPBCTNJEBIBJDR-OAHLLOKOSA-N 1 0 320.440 3.915 10 0 DHAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1ccc(Cl)cc1)CC2 ZINC000113442366 335425626 /nfs/dbraw/zinc/42/56/26/335425626.db2.gz NSFUZJSQLORTMR-HUUCEWRRSA-N 1 0 318.852 3.550 10 0 DHAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2cccs2)cc1 ZINC000102686542 335930097 /nfs/dbraw/zinc/93/00/97/335930097.db2.gz NHJYKRSVNZXVAC-ZIAGYGMSSA-N 1 0 316.470 3.839 10 0 DHAERO CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc(Br)c1 ZINC000324270252 336125724 /nfs/dbraw/zinc/12/57/24/336125724.db2.gz KOZCXEICVQUIFY-KGLIPLIRSA-N 1 0 314.267 3.897 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCSCc1ccccc1 ZINC000192613439 336194815 /nfs/dbraw/zinc/19/48/15/336194815.db2.gz VJOAKDWXSHMLBP-SFHVURJKSA-N 1 0 315.486 3.589 10 0 DHAERO CC(C)c1ccc([C@H](C)NC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000192772637 336261316 /nfs/dbraw/zinc/26/13/16/336261316.db2.gz ATBVLUDCXSADGL-HNAYVOBHSA-N 1 0 310.441 3.557 10 0 DHAERO Cc1ccsc1[C@@H]([NH2+][C@H](C)CO)c1ccc(Cl)cc1F ZINC000182575105 336272501 /nfs/dbraw/zinc/27/25/01/336272501.db2.gz RTMUHJQPXLIERS-YGRLFVJLSA-N 1 0 313.825 3.909 10 0 DHAERO Cc1cc2c(ncnc2NCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000301875570 336335607 /nfs/dbraw/zinc/33/56/07/336335607.db2.gz MKRKAYAHVJXWEE-LBPRGKRZSA-N 1 0 304.463 3.534 10 0 DHAERO CCC1(CC)CN(c2cc(C)[nH+]c3ccccc32)CC[S@@]1=O ZINC000302215879 336354399 /nfs/dbraw/zinc/35/43/99/336354399.db2.gz HYVYKPGGYZDVNN-QFIPXVFZSA-N 1 0 316.470 3.671 10 0 DHAERO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccnc3c(F)cc(F)cc23)C1 ZINC000302542551 336361172 /nfs/dbraw/zinc/36/11/72/336361172.db2.gz TUGDPSLZOLNYAB-CHWSQXEVSA-N 1 0 305.372 3.798 10 0 DHAERO COc1cc(C[NH2+][C@@H]2C[C@@H]2C)ccc1OCc1cccs1 ZINC000105437897 336387479 /nfs/dbraw/zinc/38/74/79/336387479.db2.gz ZJMSANMKHUDIMD-SWLSCSKDSA-N 1 0 303.427 3.834 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnc(-c2cccs2)s1 ZINC000123421074 337048025 /nfs/dbraw/zinc/04/80/25/337048025.db2.gz HKNFYNNTGGKCMB-ZDUSSCGKSA-N 1 0 321.515 3.788 10 0 DHAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(C)c(Cl)c3)C2)no1 ZINC000193856873 337079706 /nfs/dbraw/zinc/07/97/06/337079706.db2.gz QYZYMUBHMRWSDP-CQSZACIVSA-N 1 0 319.836 3.795 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C)CCc3ccccc3)C2)no1 ZINC000171402999 337087132 /nfs/dbraw/zinc/08/71/32/337087132.db2.gz VVZNHNSRYZKJTK-YJBOKZPZSA-N 1 0 313.445 3.654 10 0 DHAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1cccc(Cl)c1)CC2 ZINC000173397302 337135081 /nfs/dbraw/zinc/13/50/81/337135081.db2.gz UONZMYDFQWOZPY-CABCVRRESA-N 1 0 318.852 3.550 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1csc(C2CCCC2)n1 ZINC000175342506 337145481 /nfs/dbraw/zinc/14/54/81/337145481.db2.gz NEGIYNTVSBMZOC-INIZCTEOSA-N 1 0 307.507 3.717 10 0 DHAERO CCSc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000176355203 337150964 /nfs/dbraw/zinc/15/09/64/337150964.db2.gz HSBUJWKQSUUIBY-HNNXBMFYSA-N 1 0 321.490 3.747 10 0 DHAERO CCc1nccn1[C@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000178107474 337162287 /nfs/dbraw/zinc/16/22/87/337162287.db2.gz WCOIZMHUHIAJSZ-INIZCTEOSA-N 1 0 317.477 3.825 10 0 DHAERO Cc1nn(C)cc1[C@H](C)N[C@H](c1ccccc1)c1cccnc1 ZINC000178610028 337165417 /nfs/dbraw/zinc/16/54/17/337165417.db2.gz JGSHWISZUIIUIQ-IFXJQAMLSA-N 1 0 306.413 3.564 10 0 DHAERO Cc1cc(C(=O)NCC[C@@H](C)[NH3+])sc1-c1cccc(Cl)c1 ZINC000178618926 337165550 /nfs/dbraw/zinc/16/55/50/337165550.db2.gz OXPVTLUVGGEHFY-LLVKDONJSA-N 1 0 322.861 3.844 10 0 DHAERO Cc1ccc(-c2ccc(C(=O)NCC[C@@H](C)[NH3+])c(F)c2)cc1C ZINC000178656507 337165911 /nfs/dbraw/zinc/16/59/11/337165911.db2.gz NLKBZOUFUKHDRD-CQSZACIVSA-N 1 0 314.404 3.577 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cccn1CCC(C)C ZINC000180134043 337171634 /nfs/dbraw/zinc/17/16/34/337171634.db2.gz QNTDOOKVENXGSO-IBGZPJMESA-N 1 0 314.477 3.704 10 0 DHAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(Cl)c(C)c3)C2)no1 ZINC000180427662 337174636 /nfs/dbraw/zinc/17/46/36/337174636.db2.gz DSQQPZNSBIIXLR-CQSZACIVSA-N 1 0 319.836 3.795 10 0 DHAERO Cc1ccccc1[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccccc1 ZINC000180947541 337178847 /nfs/dbraw/zinc/17/88/47/337178847.db2.gz YSAXREORBDGLOQ-NQIIRXRSSA-N 1 0 317.436 3.955 10 0 DHAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000181358971 337181519 /nfs/dbraw/zinc/18/15/19/337181519.db2.gz ZYYKQDZMFBEGGT-ROUUACIJSA-N 1 0 305.462 3.684 10 0 DHAERO c1ccc2c(c1)OC1(CCCC1)C[C@@H]2[NH2+][C@H]1CCCOCC1 ZINC000181370501 337181756 /nfs/dbraw/zinc/18/17/56/337181756.db2.gz GGVGSEAYIILVGL-RDJZCZTQSA-N 1 0 301.430 3.982 10 0 DHAERO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000181937101 337185358 /nfs/dbraw/zinc/18/53/58/337185358.db2.gz NZBOCKMUNKRYTF-KBPBESRZSA-N 1 0 324.428 3.561 10 0 DHAERO CC(C)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186073021 337253401 /nfs/dbraw/zinc/25/34/01/337253401.db2.gz BPQXCJCMPQHMKI-OAHLLOKOSA-N 1 0 320.234 3.574 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)sc2C)C12CCOCC2 ZINC000186225458 337254760 /nfs/dbraw/zinc/25/47/60/337254760.db2.gz BHESRNYZANHFPM-RRQGHBQHSA-N 1 0 323.502 3.990 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)s2)C12CCOCC2 ZINC000186271468 337255474 /nfs/dbraw/zinc/25/54/74/337255474.db2.gz LHKNMASHUPNWNP-CWRNSKLLSA-N 1 0 309.475 3.681 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc(C)s2)C12CCOCC2 ZINC000186347658 337256705 /nfs/dbraw/zinc/25/67/05/337256705.db2.gz GBAQKUMPOFADTQ-RRQGHBQHSA-N 1 0 323.502 3.551 10 0 DHAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C2CCSCC2)cc1OC ZINC000187071206 337261700 /nfs/dbraw/zinc/26/17/00/337261700.db2.gz IBZSCURMOCQBKN-STQMWFEESA-N 1 0 309.475 3.886 10 0 DHAERO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)cn1 ZINC000190669161 337289422 /nfs/dbraw/zinc/28/94/22/337289422.db2.gz OTLNFGVBBWANIB-GFCCVEGCSA-N 1 0 305.372 3.667 10 0 DHAERO CCN(C)c1ccc(CN2CCCC[C@@H]2c2nccs2)cn1 ZINC000191300960 337295762 /nfs/dbraw/zinc/29/57/62/337295762.db2.gz KATZPELEGURQMJ-OAHLLOKOSA-N 1 0 316.474 3.721 10 0 DHAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)C(=O)Nc1ccc(OC)cc1 ZINC000192532999 337306259 /nfs/dbraw/zinc/30/62/59/337306259.db2.gz FPBZLDCVAOHNOZ-XJKSGUPXSA-N 1 0 316.401 3.665 10 0 DHAERO COc1ccc(N[C@@H]2CCCC[C@@H]2C(=O)N2CCCCC2)cc1 ZINC000584606286 337371639 /nfs/dbraw/zinc/37/16/39/337371639.db2.gz RNRFPCCSPSLMPE-ZWKOTPCHSA-N 1 0 316.445 3.678 10 0 DHAERO CCCCOCCCCC[NH2+]CCOc1ccccc1OC ZINC000584620599 337372724 /nfs/dbraw/zinc/37/27/24/337372724.db2.gz WZNIYMHQKNAPOQ-UHFFFAOYSA-N 1 0 309.450 3.651 10 0 DHAERO CC(C)(C)C[C@@H](CO)[NH2+]CCc1c(Cl)cccc1Cl ZINC000584620527 337373285 /nfs/dbraw/zinc/37/32/85/337373285.db2.gz SUBOHNJQHJGFCE-NSHDSACASA-N 1 0 304.261 3.923 10 0 DHAERO [NH3+][C@H]1CCc2cc(C(=O)Nc3ccc(C4CC4)cc3)ccc2C1 ZINC000584626124 337375898 /nfs/dbraw/zinc/37/58/98/337375898.db2.gz SEVJMWRMURGAJN-SFHVURJKSA-N 1 0 306.409 3.632 10 0 DHAERO CCn1cnnc1C1CC[NH+]([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000105928476 337386895 /nfs/dbraw/zinc/38/68/95/337386895.db2.gz JQCILAJVOYKPLR-LBPRGKRZSA-N 1 0 320.387 3.517 10 0 DHAERO CC(C)=CCSc1ccccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000132774686 337443227 /nfs/dbraw/zinc/44/32/27/337443227.db2.gz CDDHDCGPWMAYRC-HNNXBMFYSA-N 1 0 318.486 3.521 10 0 DHAERO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503974 337467468 /nfs/dbraw/zinc/46/74/68/337467468.db2.gz QRIXSGKPNSTDBZ-LBPRGKRZSA-N 1 0 305.372 3.639 10 0 DHAERO CCn1cc(C2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cn1 ZINC000195501002 337467508 /nfs/dbraw/zinc/46/75/08/337467508.db2.gz OMCNYMNOOJTBPT-AWEZNQCLSA-N 1 0 301.409 3.983 10 0 DHAERO Brc1csc(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070070235 337546252 /nfs/dbraw/zinc/54/62/52/337546252.db2.gz DROIRGNNTBRIBP-GFCCVEGCSA-N 1 0 310.216 3.734 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2cccs2)C12CCOCC2 ZINC000248924681 337568601 /nfs/dbraw/zinc/56/86/01/337568601.db2.gz FPHHYSULASSQEF-NUEKZKHPSA-N 1 0 309.475 3.763 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2ccccc2)C12CCOCC2 ZINC000248992101 337569158 /nfs/dbraw/zinc/56/91/58/337569158.db2.gz LGTXPGZJWAPXBU-RCCFBDPRSA-N 1 0 303.446 3.702 10 0 DHAERO O=C(CC[C@H]1CCC[NH2+]1)N(Cc1ccccc1)Cc1ccccc1 ZINC000261554767 337605301 /nfs/dbraw/zinc/60/53/01/337605301.db2.gz UNFPSQAMZHHEOA-HXUWFJFHSA-N 1 0 322.452 3.748 10 0 DHAERO CC1(C)CN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000261626939 337606715 /nfs/dbraw/zinc/60/67/15/337606715.db2.gz DZVIJLVYYLUQDW-ZDUSSCGKSA-N 1 0 320.786 3.918 10 0 DHAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000261731052 337609273 /nfs/dbraw/zinc/60/92/73/337609273.db2.gz KWGCEWUCYRQDIE-NXHRZFHOSA-N 1 0 318.436 3.548 10 0 DHAERO CC1(C)CN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000261774173 337610258 /nfs/dbraw/zinc/61/02/58/337610258.db2.gz DZMMOQBSCISLJF-ZDUSSCGKSA-N 1 0 320.786 3.918 10 0 DHAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000261787430 337610431 /nfs/dbraw/zinc/61/04/31/337610431.db2.gz PXGJIUDCNNPFKC-YJLNNSPDSA-N 1 0 318.436 3.691 10 0 DHAERO Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261783482 337610432 /nfs/dbraw/zinc/61/04/32/337610432.db2.gz PODQUXJGGLQXSH-JCHJZTRSSA-N 1 0 314.473 3.670 10 0 DHAERO CN(C[C@H]1CCC[NH2+]C1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000261803717 337610935 /nfs/dbraw/zinc/61/09/35/337610935.db2.gz HEQOYLURHNLSGF-FZMZJTMJSA-N 1 0 320.786 3.875 10 0 DHAERO CC1(C)CN(C(=O)c2ccc(-c3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000261821912 337611159 /nfs/dbraw/zinc/61/11/59/337611159.db2.gz HXTZJCJJNKGKEO-GOSISDBHSA-N 1 0 308.425 3.553 10 0 DHAERO Cc1ccc([C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c2ccccc2)cc1 ZINC000261954558 337613252 /nfs/dbraw/zinc/61/32/52/337613252.db2.gz IJFSNDZGVDRQCN-AQNXPRMDSA-N 1 0 322.452 3.576 10 0 DHAERO Cc1c(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)oc2c1c(C)ccc2C ZINC000261965317 337613291 /nfs/dbraw/zinc/61/32/91/337613291.db2.gz LFMPDWHDERGPGP-CQSZACIVSA-N 1 0 314.429 3.557 10 0 DHAERO CC(C)Cn1ccc2cc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000262307369 337616796 /nfs/dbraw/zinc/61/67/96/337616796.db2.gz RPKCFEBCRAORMD-JKSUJKDBSA-N 1 0 313.445 3.753 10 0 DHAERO CCc1ccc([C@H](CC)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089732666 337873246 /nfs/dbraw/zinc/87/32/46/337873246.db2.gz SDMMCEVYOKXQOB-MOPGFXCFSA-N 1 0 324.472 3.749 10 0 DHAERO CN(c1cccnn1)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000093272582 337914225 /nfs/dbraw/zinc/91/42/25/337914225.db2.gz MHWRZZKZOWGGRL-UHFFFAOYSA-N 1 0 316.493 3.594 10 0 DHAERO COc1cc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)ccc1F ZINC000152673034 338209691 /nfs/dbraw/zinc/20/96/91/338209691.db2.gz PLOAAEGUVWAWFK-RDTXWAMCSA-N 1 0 316.420 3.788 10 0 DHAERO COc1cc([C@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)ccc1F ZINC000152672941 338209699 /nfs/dbraw/zinc/20/96/99/338209699.db2.gz PLOAAEGUVWAWFK-KBXCAEBGSA-N 1 0 316.420 3.788 10 0 DHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2Br)C[C@H](C)O1 ZINC000466425385 339204386 /nfs/dbraw/zinc/20/43/86/339204386.db2.gz KKONXDAUTDDWFY-CLLJXQQHSA-N 1 0 312.251 3.742 10 0 DHAERO C[C@H]([NH2+][C@@H]1CC12CCCC2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447031 340146601 /nfs/dbraw/zinc/14/66/01/340146601.db2.gz PXCIMATYAWBROZ-SOUVJXGZSA-N 1 0 308.466 3.554 10 0 DHAERO C[C@H]([NH2+][C@H]1CC12CCCC2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447034 340146637 /nfs/dbraw/zinc/14/66/37/340146637.db2.gz PXCIMATYAWBROZ-ZNMIVQPWSA-N 1 0 308.466 3.554 10 0 DHAERO COc1ccccc1C[C@H]([NH2+]Cc1cccc(CO)c1)C(C)C ZINC000177842975 340444246 /nfs/dbraw/zinc/44/42/46/340444246.db2.gz NBFGPGHAXMHLKP-IBGZPJMESA-N 1 0 313.441 3.544 10 0 DHAERO CCC[C@H](C(=O)N[C@H](C)c1oc2ccccc2c1C)[NH+](C)C ZINC000178653096 340451372 /nfs/dbraw/zinc/45/13/72/340451372.db2.gz ZIZYMHNDZZDDKR-UKRRQHHQSA-N 1 0 302.418 3.649 10 0 DHAERO C[C@@H]1C[C@H](C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC(C)(C)C1 ZINC000184013402 340490495 /nfs/dbraw/zinc/49/04/95/340490495.db2.gz NZZSVPUYWQFWDO-KURKYZTESA-N 1 0 320.521 3.783 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C(C)C)C12CCOCC2 ZINC000186216377 340509539 /nfs/dbraw/zinc/50/95/39/340509539.db2.gz CJLCKXAKHFEZCI-IPMKNSEASA-N 1 0 317.473 3.948 10 0 DHAERO Cc1ccc([C@H](C[NH2+][C@H](C)CCC2CC2)N2CCOCC2)s1 ZINC000186400007 340512201 /nfs/dbraw/zinc/51/22/01/340512201.db2.gz OKBCNMHOWZGVMS-PBHICJAKSA-N 1 0 322.518 3.598 10 0 DHAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000190024828 340542105 /nfs/dbraw/zinc/54/21/05/340542105.db2.gz NBXCPALMYDKQJJ-CRAIPNDOSA-N 1 0 317.477 3.608 10 0 DHAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066391546 340845987 /nfs/dbraw/zinc/84/59/87/340845987.db2.gz ZURLOQWFYYWTRX-QWRGUYRKSA-N 1 0 314.832 3.823 10 0 DHAERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000070742998 341008078 /nfs/dbraw/zinc/00/80/78/341008078.db2.gz GJEWOGJVTHWONS-WDEREUQCSA-N 1 0 317.260 3.805 10 0 DHAERO Cc1cccc(NC[C@@H]2CC[N@H+](CCc3ccccc3F)C2)n1 ZINC000137584347 341276633 /nfs/dbraw/zinc/27/66/33/341276633.db2.gz MGNJPVICPVBOSK-INIZCTEOSA-N 1 0 313.420 3.506 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000245509423 341298389 /nfs/dbraw/zinc/29/83/89/341298389.db2.gz KEVINZUPJCNVLL-MJGOQNOKSA-N 1 0 313.420 3.873 10 0 DHAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000245921154 341318327 /nfs/dbraw/zinc/31/83/27/341318327.db2.gz MFARAZIDHHFDAK-DBVUQKKJSA-N 1 0 322.452 3.544 10 0 DHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nc(C(C)C)nn3C1)[C@H](C)C2 ZINC000245961778 341320108 /nfs/dbraw/zinc/32/01/08/341320108.db2.gz MRSYEDVTBOVPGY-SIXWZSSISA-N 1 0 324.472 3.548 10 0 DHAERO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246132525 341328359 /nfs/dbraw/zinc/32/83/59/341328359.db2.gz MPCRPTIMABAHPZ-KGLIPLIRSA-N 1 0 317.383 3.855 10 0 DHAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000246232517 341336206 /nfs/dbraw/zinc/33/62/06/341336206.db2.gz MUIUBFRCJDQUAB-HEHGZKQESA-N 1 0 312.404 3.667 10 0 DHAERO Clc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c2ncccc12 ZINC000246232272 341336253 /nfs/dbraw/zinc/33/62/53/341336253.db2.gz SMOCTIPBMODWTJ-HNNXBMFYSA-N 1 0 315.848 3.558 10 0 DHAERO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1)C(C)(C)C ZINC000246375894 341345525 /nfs/dbraw/zinc/34/55/25/341345525.db2.gz JQTREVVQGKIJFN-KFWWJZLASA-N 1 0 310.507 3.534 10 0 DHAERO C[C@H]([NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)[C@H]1CCCO1 ZINC000246886769 341358197 /nfs/dbraw/zinc/35/81/97/341358197.db2.gz FFJXDHXHWBISDU-NZVBXONLSA-N 1 0 315.335 3.730 10 0 DHAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000247000099 341359801 /nfs/dbraw/zinc/35/98/01/341359801.db2.gz KQHINJJQUZUOGJ-DVOMOZLQSA-N 1 0 312.404 3.667 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(Br)s1 ZINC000247950003 341371358 /nfs/dbraw/zinc/37/13/58/341371358.db2.gz DXLLIUKBXNIHKD-DCAQKATOSA-N 1 0 318.280 3.712 10 0 DHAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000247974893 341371926 /nfs/dbraw/zinc/37/19/26/341371926.db2.gz KNIFNUPUVOYNSM-HOTGVXAUSA-N 1 0 313.363 3.832 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(F)cc1OC(F)F ZINC000248166043 341374224 /nfs/dbraw/zinc/37/42/24/341374224.db2.gz SZHALCASRAJPHX-COPLHBTASA-N 1 0 317.351 3.629 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cccc(-c2ccncc2)c1 ZINC000248177331 341374423 /nfs/dbraw/zinc/37/44/23/341374423.db2.gz VVFUMFDEVKQJIG-RYGJVYDSSA-N 1 0 310.441 3.950 10 0 DHAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)c1 ZINC000248201513 341374796 /nfs/dbraw/zinc/37/47/96/341374796.db2.gz YWRDEDYFDCKCKC-YDHLFZDLSA-N 1 0 313.388 3.798 10 0 DHAERO CC(C)c1ccc([C@H](C)[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000248470833 341378558 /nfs/dbraw/zinc/37/85/58/341378558.db2.gz VKNVLJGJWOEVDG-DLBZAZTESA-N 1 0 312.461 3.875 10 0 DHAERO CCCCOC[C@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(CC)o1 ZINC000248662466 341383653 /nfs/dbraw/zinc/38/36/53/341383653.db2.gz YHSLVVJZNIASKA-WBVHZDCISA-N 1 0 309.450 3.547 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)Cc2ccccc2)C12CCOCC2 ZINC000248998532 341391563 /nfs/dbraw/zinc/39/15/63/341391563.db2.gz MPOFLHQRMFMLPC-GBESFXJTSA-N 1 0 317.473 3.572 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000249614289 341399931 /nfs/dbraw/zinc/39/99/31/341399931.db2.gz OZQRVXCWUNBFAF-TZMCWYRMSA-N 1 0 309.523 3.884 10 0 DHAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000153068601 341523078 /nfs/dbraw/zinc/52/30/78/341523078.db2.gz ALDOFTUZVAWQKO-QAPCUYQASA-N 1 0 317.477 3.607 10 0 DHAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000159035647 519813153 /nfs/dbraw/zinc/81/31/53/519813153.db2.gz GVJJZYAGLPSXEH-LSDHHAIUSA-N 1 0 301.434 3.694 10 0 DHAERO CC(C)c1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000177088111 519845948 /nfs/dbraw/zinc/84/59/48/519845948.db2.gz DSAREPZSJPNJDT-HUUCEWRRSA-N 1 0 301.434 3.510 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCc2ccccc2)C12CCOCC2 ZINC000186195484 520373661 /nfs/dbraw/zinc/37/36/61/520373661.db2.gz YJTUWKZKBOQADZ-QXAKKESOSA-N 1 0 317.473 3.572 10 0 DHAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc3ccccc31)CC2 ZINC000112550589 522534277 /nfs/dbraw/zinc/53/42/77/522534277.db2.gz GSDPJLYEPJRDFN-GDBMZVCRSA-N 1 0 320.440 3.659 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1F ZINC000181090807 522759656 /nfs/dbraw/zinc/75/96/56/522759656.db2.gz NBFYSCYWDYRDBK-BBRMVZONSA-N 1 0 316.424 3.596 10 0 DHAERO COc1ccccc1C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)C(C)C ZINC000157646051 524512295 /nfs/dbraw/zinc/51/22/95/524512295.db2.gz QYLRDFDJJMAXMZ-HBFSDRIKSA-N 1 0 317.473 3.810 10 0 DHAERO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccc2c(c1)CCCC2 ZINC000237529387 525323588 /nfs/dbraw/zinc/32/35/88/525323588.db2.gz CBJZWNQQEJZJOF-CQSZACIVSA-N 1 0 308.425 3.515 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(-c2ccccc2)cc1 ZINC000180585626 525583381 /nfs/dbraw/zinc/58/33/81/525583381.db2.gz QGZIDMBLQYSBDD-HNAYVOBHSA-N 1 0 318.424 3.611 10 0 DHAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)o1 ZINC000158093266 525738242 /nfs/dbraw/zinc/73/82/42/525738242.db2.gz ZBDBSFHJMFQGPC-CMPLNLGQSA-N 1 0 321.808 3.704 10 0 DHAERO Cc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(C(C)C)n2)cc1 ZINC000070456203 525818489 /nfs/dbraw/zinc/81/84/89/525818489.db2.gz NFJKJZCEFPVJNJ-MRXNPFEDSA-N 1 0 324.472 3.987 10 0 DHAERO Cc1cncc([C@H](C)[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000184373982 526219383 /nfs/dbraw/zinc/21/93/83/526219383.db2.gz NFTIQHSFYIYNFI-CVEARBPZSA-N 1 0 306.413 3.988 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)c1 ZINC000124656446 526266190 /nfs/dbraw/zinc/26/61/90/526266190.db2.gz WAONNJNWGFNYDC-GOSISDBHSA-N 1 0 306.413 3.577 10 0 DHAERO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000180240391 526294193 /nfs/dbraw/zinc/29/41/93/526294193.db2.gz VUJQZKAQYWXFHA-AZUAARDMSA-N 1 0 321.424 3.651 10 0 DHAERO O=C(CCC1CC[NH2+]CC1)Nc1cc(Cl)ccc1NC1CC1 ZINC000237745295 526411848 /nfs/dbraw/zinc/41/18/48/526411848.db2.gz BQMWMIWIOQKKGM-UHFFFAOYSA-N 1 0 321.852 3.633 10 0 DHAERO c1ccc(NC[C@@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)nc1 ZINC000124322697 526482529 /nfs/dbraw/zinc/48/25/29/526482529.db2.gz ZAEZXVWKUQASDP-INIZCTEOSA-N 1 0 318.424 3.564 10 0 DHAERO Cc1nc(C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)sc1C ZINC000189885189 526891850 /nfs/dbraw/zinc/89/18/50/526891850.db2.gz OPTJXWKAGRIPPY-ZDUSSCGKSA-N 1 0 312.442 3.796 10 0 DHAERO [NH3+]CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000040173853 527183582 /nfs/dbraw/zinc/18/35/82/527183582.db2.gz VYXNUNWCPPXXJZ-UHFFFAOYSA-N 1 0 318.229 3.560 10 0 DHAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000246727624 527366627 /nfs/dbraw/zinc/36/66/27/527366627.db2.gz YCTVJUXPXIHGCP-OIISXLGYSA-N 1 0 320.864 3.815 10 0 DHAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000246727632 527369438 /nfs/dbraw/zinc/36/94/38/527369438.db2.gz YCTVJUXPXIHGCP-UAGQMJEPSA-N 1 0 320.864 3.815 10 0 DHAERO Brc1cscc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712542759 563321628 /nfs/dbraw/zinc/32/16/28/563321628.db2.gz OVBXILOTWSGKES-JTQLQIEISA-N 1 0 300.246 3.807 10 0 DHAERO OCCCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000013726905 563388193 /nfs/dbraw/zinc/38/81/93/563388193.db2.gz VPEWUPYFWVHGSV-UHFFFAOYSA-N 1 0 317.404 3.657 10 0 DHAERO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2sccc21 ZINC000725242509 563525765 /nfs/dbraw/zinc/52/57/65/563525765.db2.gz ABPYAMNPFKKMRC-WMLDXEAASA-N 1 0 324.490 3.658 10 0 DHAERO Cc1ccc(C)c([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675054225 563861679 /nfs/dbraw/zinc/86/16/79/563861679.db2.gz MNYWEZGKLSXKSV-GOEBONIOSA-N 1 0 304.434 3.703 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@]2(CC1)[NH2+]CCc1sccc12 ZINC000704096970 568414292 /nfs/dbraw/zinc/41/42/92/568414292.db2.gz QOYIKCBPONYKMJ-QGZVFWFLSA-N 1 0 322.474 3.510 10 0 DHAERO c1[nH]nc2c1C[C@@H]([NH2+][C@@H]1CC3(CCCC3)Oc3ccccc31)CC2 ZINC000090454395 1032398410 /nfs/dbraw/zinc/39/84/10/1032398410.db2.gz YNDBVTGTRPTKID-MAUKXSAKSA-N 1 0 323.440 3.693 10 0 DHAERO Cc1cc(C[C@H](C)[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)[nH]n1 ZINC000090532852 1032406107 /nfs/dbraw/zinc/40/61/07/1032406107.db2.gz YUMMKPRDRIXVAD-ZBEGNZNMSA-N 1 0 317.408 3.680 10 0 DHAERO FC(F)(F)c1csc([C@@H]2CCC[N@H+](Cc3cc[nH]c3)C2)n1 ZINC000093772326 1032556790 /nfs/dbraw/zinc/55/67/90/1032556790.db2.gz BQQVOGMWTZCMSN-LLVKDONJSA-N 1 0 315.364 3.870 10 0 DHAERO CC(C)(C)OC(=O)n1cc(C[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000095642084 185382957 /nfs/dbraw/zinc/38/29/57/185382957.db2.gz HBEJMKJVENIWPZ-AWEZNQCLSA-N 1 0 300.402 3.719 10 0 DHAERO CC[NH2+]Cc1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000082662004 185191358 /nfs/dbraw/zinc/19/13/58/185191358.db2.gz JAKXNBGQPFTQAB-UHFFFAOYSA-N 1 0 303.715 3.654 10 0 DHAERO O[C@@H](c1ccc(Br)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000083165710 185215590 /nfs/dbraw/zinc/21/55/90/185215590.db2.gz GVCWWKLEICUGLP-MEDUHNTESA-N 1 0 320.230 3.635 10 0 DHAERO COCCC1(C[NH2+][C@H](Cc2ccccc2OC)C(C)C)CC1 ZINC000090535460 185301205 /nfs/dbraw/zinc/30/12/05/185301205.db2.gz WOXNQXQGYDNTIH-QGZVFWFLSA-N 1 0 305.462 3.669 10 0 DHAERO Nc1ccc2sc(C[NH+]3CCN(c4ccccc4)CC3)cc2c1 ZINC000090600123 185305858 /nfs/dbraw/zinc/30/58/58/185305858.db2.gz WSZQNEFKZKGHJD-UHFFFAOYSA-N 1 0 323.465 3.806 10 0 DHAERO C[C@@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000150718042 186059775 /nfs/dbraw/zinc/05/97/75/186059775.db2.gz OLNDTAYBRWVCBR-STQMWFEESA-N 1 0 308.853 3.543 10 0 DHAERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(-c2ccccc2)cc1 ZINC000150718225 186059874 /nfs/dbraw/zinc/05/98/74/186059874.db2.gz WOJZYRMFYLYNST-BEFAXECRSA-N 1 0 308.425 3.673 10 0 DHAERO CC[C@H](O)c1ccc(OCC[NH2+][C@@H](C)Cc2ccccc2)cc1 ZINC000001842859 180898676 /nfs/dbraw/zinc/89/86/76/180898676.db2.gz DOBLSWXRNYSVDC-JXFKEZNVSA-N 1 0 313.441 3.730 10 0 in-man DHAERO CC1=N[n+]2c(cc(-c3ccccc3)cc2-c2ccccc2)OC1 ZINC000005306700 181228482 /nfs/dbraw/zinc/22/84/82/181228482.db2.gz YLIZDJPEKHQFFF-UHFFFAOYSA-N 1 0 301.369 3.925 10 0 DHAERO CCC[C@@H](NC(=O)[C@@H]([NH3+])CCC)c1cccc(C(F)(F)F)c1 ZINC000236924020 202073570 /nfs/dbraw/zinc/07/35/70/202073570.db2.gz WVPNWWBZMFYDAF-UONOGXRCSA-N 1 0 316.367 3.790 10 0 DHAERO C[N@H+](C1CCCC1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000006750571 181383350 /nfs/dbraw/zinc/38/33/50/181383350.db2.gz OYSKTXPGQLLRKD-UHFFFAOYSA-N 1 0 319.424 3.696 10 0 DHAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2ccccc2c1 ZINC000091984120 193136088 /nfs/dbraw/zinc/13/60/88/193136088.db2.gz CPTHXYDGFURXEX-KBXCAEBGSA-N 1 0 309.413 3.540 10 0 DHAERO CCOCCC[NH2+]Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC000010474682 181671963 /nfs/dbraw/zinc/67/19/63/181671963.db2.gz VMVJZSXRGKOHAC-UHFFFAOYSA-N 1 0 306.233 3.908 10 0 DHAERO Cc1nc(Oc2ccc(CC[NH3+])cc2)cc(-c2ccccc2)n1 ZINC000011849551 181711128 /nfs/dbraw/zinc/71/11/28/181711128.db2.gz DTVWXDIPUCYJOV-UHFFFAOYSA-N 1 0 305.381 3.746 10 0 DHAERO COc1cc(CC[NH3+])cc(Cl)c1OCc1ccccc1C ZINC000011959872 181721044 /nfs/dbraw/zinc/72/10/44/181721044.db2.gz OOMFEYILBIGXKW-UHFFFAOYSA-N 1 0 305.805 3.737 10 0 DHAERO COc1ccc([C@H]([NH3+])Cc2ccc(Br)cc2)cc1 ZINC000019441335 182122872 /nfs/dbraw/zinc/12/28/72/182122872.db2.gz HWEDCZGEFHWMEQ-OAHLLOKOSA-N 1 0 306.203 3.700 10 0 DHAERO COc1ccc([C@H]([NH3+])c2cc(Br)ccc2F)cc1 ZINC000019422377 182122292 /nfs/dbraw/zinc/12/22/92/182122292.db2.gz RBVAAALWUFQDKE-AWEZNQCLSA-N 1 0 310.166 3.645 10 0 DHAERO CCCCN(CC)[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019506025 182126782 /nfs/dbraw/zinc/12/67/82/182126782.db2.gz OUMUILYJUSXUMV-CQSZACIVSA-N 1 0 317.246 3.710 10 0 DHAERO CCCCN(CC)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019506023 182126832 /nfs/dbraw/zinc/12/68/32/182126832.db2.gz OUMUILYJUSXUMV-AWEZNQCLSA-N 1 0 317.246 3.710 10 0 DHAERO CCN(c1ccccc1C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000019478158 182124511 /nfs/dbraw/zinc/12/45/11/182124511.db2.gz BYSKQVVYNJCGAE-CYBMUJFWSA-N 1 0 323.234 3.877 10 0 DHAERO [NH3+]C[C@H](Oc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000019671436 182135266 /nfs/dbraw/zinc/13/52/66/182135266.db2.gz JVDHRABBLBMMIP-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO [NH3+]C[C@H](Oc1cccc(Br)c1)c1ccc(F)cc1 ZINC000019671432 182135436 /nfs/dbraw/zinc/13/54/36/182135436.db2.gz RHWQBBPQKWXNCK-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO [NH3+][C@@H](c1ccc(Br)cc1F)c1cc(F)ccc1F ZINC000019969551 182171533 /nfs/dbraw/zinc/17/15/33/182171533.db2.gz BJQBFBPTOYYJNE-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO [NH3+][C@@H](c1ccccc1Br)c1c(F)cc(F)cc1F ZINC000019971703 182172422 /nfs/dbraw/zinc/17/24/22/182172422.db2.gz YDSDCSLJVQVUGR-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO [NH3+]C[C@H](c1c(F)cccc1Cl)N1CCc2ccccc2C1 ZINC000020226262 182198631 /nfs/dbraw/zinc/19/86/31/182198631.db2.gz LKPGJLSUJBFVHH-MRXNPFEDSA-N 1 0 304.796 3.537 10 0 DHAERO Cc1sc2ncnc(NCCC[NH3+])c2c1-c1ccc(C)cc1 ZINC000020322725 182206895 /nfs/dbraw/zinc/20/68/95/182206895.db2.gz PGLIJMXJQBXRNV-UHFFFAOYSA-N 1 0 312.442 3.736 10 0 DHAERO COc1ccc(F)cc1[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000020470557 182221466 /nfs/dbraw/zinc/22/14/66/182221466.db2.gz YVHIGQLKXVRNHH-AWEZNQCLSA-N 1 0 310.166 3.645 10 0 DHAERO [NH3+]C[C@H](c1cc(Br)cs1)N1CCCCCCC1 ZINC000020475272 182221699 /nfs/dbraw/zinc/22/16/99/182221699.db2.gz XTCHBNBLINRQML-GFCCVEGCSA-N 1 0 317.296 3.777 10 0 DHAERO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCCOC ZINC000020930401 182254627 /nfs/dbraw/zinc/25/46/27/182254627.db2.gz WXOSVCKBZFCMAU-UHFFFAOYSA-N 1 0 306.233 3.908 10 0 DHAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCO)cc1 ZINC000020874160 182250861 /nfs/dbraw/zinc/25/08/61/182250861.db2.gz XIMFISDKXDPEAV-UHFFFAOYSA-N 1 0 321.420 3.809 10 0 DHAERO CCCOc1ccc2ccccc2c1CNCCC[NH+](C)C ZINC000020968001 182256481 /nfs/dbraw/zinc/25/64/81/182256481.db2.gz HTTWZWMHGIYUQO-UHFFFAOYSA-N 1 0 300.446 3.670 10 0 DHAERO Clc1ccc(CCN2CC[N@@H+]3CCCC[C@@H]3C2)cc1Cl ZINC000022940721 182343603 /nfs/dbraw/zinc/34/36/03/182343603.db2.gz NNKDWXNCNGJXIG-CQSZACIVSA-N 1 0 313.272 3.706 10 0 DHAERO CCOc1cc(Br)c([C@@H]([NH3+])CC)cc1OCC ZINC000036926267 182853052 /nfs/dbraw/zinc/85/30/52/182853052.db2.gz ZZKCREIEOIYCBY-NSHDSACASA-N 1 0 302.212 3.656 10 0 DHAERO CC(C)CCCOC[C@@H](O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000037975340 182947480 /nfs/dbraw/zinc/94/74/80/182947480.db2.gz KYEOVNKUQIVWCA-PBHICJAKSA-N 1 0 313.869 3.804 10 0 DHAERO CC[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000037914589 182936751 /nfs/dbraw/zinc/93/67/51/182936751.db2.gz IXEBNSRLTWMRDD-SMDDNHRTSA-N 1 0 310.235 3.895 10 0 DHAERO [NH3+][C@H](Cc1cc(F)ccc1F)c1ccc(Br)cc1 ZINC000040845866 183140801 /nfs/dbraw/zinc/14/08/01/183140801.db2.gz OFOGDXCHHOPATD-CQSZACIVSA-N 1 0 312.157 3.970 10 0 DHAERO CCCC[N@H+](CC)CC[C@H](O)c1ccc(Br)cc1 ZINC000041145270 183176229 /nfs/dbraw/zinc/17/62/29/183176229.db2.gz VYMDJANIDNUFQK-HNNXBMFYSA-N 1 0 314.267 3.995 10 0 DHAERO CCC[NH+](CCC)CC[C@H](O)c1ccc(Br)cc1 ZINC000041145233 183176433 /nfs/dbraw/zinc/17/64/33/183176433.db2.gz MKWSNJNKTXOSFL-HNNXBMFYSA-N 1 0 314.267 3.995 10 0 DHAERO [NH3+]C[C@H](Cc1ccccc1F)c1ccc(Br)cc1 ZINC000041541273 183200750 /nfs/dbraw/zinc/20/07/50/183200750.db2.gz IZFYBJYELZINBM-ZDUSSCGKSA-N 1 0 308.194 3.873 10 0 DHAERO CC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H](C)C(N)=S ZINC000042444521 183271429 /nfs/dbraw/zinc/27/14/29/183271429.db2.gz HXCOABAZALVBEA-VIFPVBQESA-N 1 0 305.274 3.738 10 0 DHAERO CC(C)C[C@H](C)N(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000042577491 183285965 /nfs/dbraw/zinc/28/59/65/183285965.db2.gz YMFMNTSBHQGIRH-WFASDCNBSA-N 1 0 313.283 3.815 10 0 DHAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H](CN)c1ccc(Br)o1 ZINC000042606999 183290184 /nfs/dbraw/zinc/29/01/84/183290184.db2.gz LDFNWSABLSXDEX-WOPDTQHZSA-N 1 0 315.255 3.552 10 0 DHAERO CCC(CC)N(CCOC)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042614948 183291426 /nfs/dbraw/zinc/29/14/26/183291426.db2.gz WDLZEYKRTGKRKB-LBPRGKRZSA-N 1 0 304.887 3.538 10 0 DHAERO CCC(CC)N(CCOC)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000042614949 183291514 /nfs/dbraw/zinc/29/15/14/183291514.db2.gz WDLZEYKRTGKRKB-GFCCVEGCSA-N 1 0 304.887 3.538 10 0 DHAERO C[C@@H]([N@H+](C)CC(=O)c1cccc(Br)c1)C(C)(C)C ZINC000042773759 183306704 /nfs/dbraw/zinc/30/67/04/183306704.db2.gz ITPJXCBEDZZACK-LLVKDONJSA-N 1 0 312.251 3.998 10 0 DHAERO C[C@H]([N@H+](C)[C@@H](CN)c1ccc(Br)cc1)C(C)(C)C ZINC000042742288 183304951 /nfs/dbraw/zinc/30/49/51/183304951.db2.gz JJACCYTZXUKKGI-FZMZJTMJSA-N 1 0 313.283 3.815 10 0 DHAERO C[C@H](N)[C@H](c1ccc(Br)cc1)[N@H+](C)C1CCCC1 ZINC000042952838 183321678 /nfs/dbraw/zinc/32/16/78/183321678.db2.gz SFPGQYXLNNGVGD-XHDPSFHLSA-N 1 0 311.267 3.712 10 0 DHAERO COc1cccc(O[C@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000042956590 183322894 /nfs/dbraw/zinc/32/28/94/183322894.db2.gz BGTLRJULPXFVJC-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO CCc1nccn1[C@@H](c1ccc(Br)cc1)[C@@H]([NH3+])CC ZINC000042956222 183322950 /nfs/dbraw/zinc/32/29/50/183322950.db2.gz UYPQIOQJBIPEDV-ZFWWWQNUSA-N 1 0 322.250 3.535 10 0 DHAERO Cc1ccc(O[C@H](C[NH3+])c2cccc(F)c2)c(Br)c1 ZINC000042973936 183324814 /nfs/dbraw/zinc/32/48/14/183324814.db2.gz CJQKEBMAQCNUAM-OAHLLOKOSA-N 1 0 324.193 3.975 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCC(C)CC1 ZINC000043019776 183328544 /nfs/dbraw/zinc/32/85/44/183328544.db2.gz MIFKHFGSDFCFCS-IUODEOHRSA-N 1 0 311.267 3.569 10 0 DHAERO CCC[NH+](CCC)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043019944 183328642 /nfs/dbraw/zinc/32/86/42/183328642.db2.gz MKSJAESILHQSSI-DOMZBBRYSA-N 1 0 313.283 3.959 10 0 DHAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCC(C)CC1 ZINC000043019780 183328781 /nfs/dbraw/zinc/32/87/81/183328781.db2.gz MIFKHFGSDFCFCS-SWLSCSKDSA-N 1 0 311.267 3.569 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCC[C@@H]1C ZINC000043021031 183329594 /nfs/dbraw/zinc/32/95/94/183329594.db2.gz ILIMWBRAZWUPAK-CQDKDKBSSA-N 1 0 311.267 3.712 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)n1nc(C)cc1C ZINC000043022080 183329820 /nfs/dbraw/zinc/32/98/20/183329820.db2.gz LXDQPKBILFMVOO-LSDHHAIUSA-N 1 0 322.250 3.589 10 0 DHAERO CC(C)CCO[C@@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043022872 183330897 /nfs/dbraw/zinc/33/08/97/183330897.db2.gz NERNXWHNNPOHJW-SMDDNHRTSA-N 1 0 300.240 3.900 10 0 DHAERO Cc1ccccc1[C@@H](C[NH3+])Oc1ccc(Br)cc1 ZINC000043038501 183331847 /nfs/dbraw/zinc/33/18/47/183331847.db2.gz BXDWLNDJRMDPNV-OAHLLOKOSA-N 1 0 306.203 3.836 10 0 DHAERO Cc1ccccc1[C@H](C[NH3+])Oc1ccc(Br)cc1F ZINC000043039780 183331996 /nfs/dbraw/zinc/33/19/96/183331996.db2.gz SAOHDQWDXNFRQR-HNNXBMFYSA-N 1 0 324.193 3.975 10 0 DHAERO Cc1nn([C@H](c2ccccc2Br)[C@H](C)[NH3+])c(C)c1C ZINC000043093854 183336999 /nfs/dbraw/zinc/33/69/99/183336999.db2.gz CZSXKVJEIPQLAT-BONVTDFDSA-N 1 0 322.250 3.507 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)Cc1ccoc1 ZINC000043092635 183335542 /nfs/dbraw/zinc/33/55/42/183335542.db2.gz NYMWYFDTMLXEEC-NHYWBVRUSA-N 1 0 323.234 3.562 10 0 DHAERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)CC(C)C ZINC000043091339 183335555 /nfs/dbraw/zinc/33/55/55/183335555.db2.gz YVSQSJVYLFFSKW-GJZGRUSLSA-N 1 0 313.283 3.815 10 0 DHAERO CC(C)CCN(C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043092689 183336010 /nfs/dbraw/zinc/33/60/10/183336010.db2.gz DQCMNTBQNRJNHV-IUODEOHRSA-N 1 0 313.283 3.815 10 0 DHAERO Cc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104974787 194060608 /nfs/dbraw/zinc/06/06/08/194060608.db2.gz QKYRPCAVQWHLKN-INIZCTEOSA-N 1 0 315.461 3.820 10 0 DHAERO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105899330 194164100 /nfs/dbraw/zinc/16/41/00/194164100.db2.gz NESZUWDVQGDJOV-WFASDCNBSA-N 1 0 324.350 3.695 10 0 DHAERO CC[NH2+][C@@H](C)[C@@H](C)CCOc1cccc(Br)c1 ZINC000049596937 183745527 /nfs/dbraw/zinc/74/55/27/183745527.db2.gz YWNUYKWSRFAVPH-RYUDHWBXSA-N 1 0 300.240 3.852 10 0 DHAERO COc1ccc(Br)cc1C[C@]1([NH3+])CCCC[C@H]1C ZINC000049597845 183746381 /nfs/dbraw/zinc/74/63/81/183746381.db2.gz RHDNHMVQQXWFPQ-IAQYHMDHSA-N 1 0 312.251 3.908 10 0 DHAERO C[NH2+][C@@H](Cc1cc(Br)ccc1OC)CC(C)C ZINC000049599459 183746960 /nfs/dbraw/zinc/74/69/60/183746960.db2.gz BVYVNCLHXIRNON-CYBMUJFWSA-N 1 0 300.240 3.634 10 0 DHAERO CCC[C@H](CC)[NH2+]CC(=O)Nc1ccccc1Br ZINC000050404603 183785475 /nfs/dbraw/zinc/78/54/75/183785475.db2.gz YCWBMYYYOBOCGD-NSHDSACASA-N 1 0 313.239 3.556 10 0 DHAERO CCC[NH2+][C@@H](CCc1ccc(F)c(Br)c1)COC ZINC000051696250 183834494 /nfs/dbraw/zinc/83/44/94/183834494.db2.gz BJTUVWWFLSCCPE-LBPRGKRZSA-N 1 0 318.230 3.535 10 0 DHAERO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(Br)c1 ZINC000051999899 183846006 /nfs/dbraw/zinc/84/60/06/183846006.db2.gz NILYHTKQCMYSIS-KFWWJZLASA-N 1 0 312.251 3.793 10 0 DHAERO C[NH2+]C[C@H](CCOC(C)C)Cc1ccccc1Br ZINC000052979873 183882899 /nfs/dbraw/zinc/88/28/99/183882899.db2.gz QVKGDXISCMTAPT-CYBMUJFWSA-N 1 0 314.267 3.642 10 0 DHAERO [NH3+]C[C@H](Nc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000057653641 184043993 /nfs/dbraw/zinc/04/39/93/184043993.db2.gz JTVDSRHAVDLHIO-AWEZNQCLSA-N 1 0 309.182 3.700 10 0 DHAERO CCc1[nH]c2ccc(C[NH2+]Cc3ccc4nonc4c3)cc2c1C ZINC000059308264 184136930 /nfs/dbraw/zinc/13/69/30/184136930.db2.gz KSUDMJZETYNHDW-UHFFFAOYSA-N 1 0 320.396 3.865 10 0 DHAERO [NH3+][C@@H](Cc1ccc(Br)s1)Cc1ccccc1F ZINC000060696613 184154375 /nfs/dbraw/zinc/15/43/75/184154375.db2.gz CLROBBDQEQUIPT-SNVBAGLBSA-N 1 0 314.223 3.762 10 0 DHAERO CC[NH2+]C[C@@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000061228877 184166920 /nfs/dbraw/zinc/16/69/20/184166920.db2.gz MJDCVIZOVCHGHA-SSDOTTSWSA-N 1 0 309.624 3.831 10 0 DHAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000061298451 184167650 /nfs/dbraw/zinc/16/76/50/184167650.db2.gz LJYANMYVBWIEID-VIFPVBQESA-N 1 0 303.233 3.559 10 0 DHAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000061298452 184167662 /nfs/dbraw/zinc/16/76/62/184167662.db2.gz LJYANMYVBWIEID-SECBINFHSA-N 1 0 303.233 3.559 10 0 DHAERO CC[NH2+][C@@H](CC)c1nnc(-c2ccc(Br)cc2)o1 ZINC000061512259 184171791 /nfs/dbraw/zinc/17/17/91/184171791.db2.gz NJYBJOGPIGXAFJ-NSHDSACASA-N 1 0 310.195 3.560 10 0 DHAERO CC[C@@]1(C(=O)Nc2cccc(Cl)c2Cl)CCC[NH2+]C1 ZINC000062853043 184256675 /nfs/dbraw/zinc/25/66/75/184256675.db2.gz WOMNZJNDBLJYKD-CQSZACIVSA-N 1 0 301.217 3.712 10 0 DHAERO CC[C@]1(C(=O)Nc2cccc(Cl)c2Cl)CCC[NH2+]C1 ZINC000062853042 184256729 /nfs/dbraw/zinc/25/67/29/184256729.db2.gz WOMNZJNDBLJYKD-AWEZNQCLSA-N 1 0 301.217 3.712 10 0 DHAERO CC[NH2+][C@H](c1ccc(C)nc1)c1cccc(Br)c1 ZINC000062949955 184261736 /nfs/dbraw/zinc/26/17/36/184261736.db2.gz TWMGCKADFRPKSP-HNNXBMFYSA-N 1 0 305.219 3.851 10 0 DHAERO Brc1ccccc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188495 184277309 /nfs/dbraw/zinc/27/73/09/184277309.db2.gz UBGHJROUGNQLJO-JKSUJKDBSA-N 1 0 323.278 3.556 10 0 DHAERO Cc1cc(Br)ccc1O[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000063061709 184268510 /nfs/dbraw/zinc/26/85/10/184268510.db2.gz NYAGUQZOASQCFI-IAQYHMDHSA-N 1 0 321.218 3.620 10 0 DHAERO Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000193563111 335053369 /nfs/dbraw/zinc/05/33/69/335053369.db2.gz SLDONHOMWLRYNI-XJKSGUPXSA-N 1 0 314.454 3.594 10 0 DHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H](C)CCC=C(C)C ZINC000275683274 257257600 /nfs/dbraw/zinc/25/76/00/257257600.db2.gz WMQJYFJUUJACOK-IKGGRYGDSA-N 1 0 305.466 3.848 10 0 DHAERO C[C@@H](C(=O)Nc1ccccc1SC1CCCC1)C1C[NH2+]C1 ZINC000163915437 132125491 /nfs/dbraw/zinc/12/54/91/132125491.db2.gz GWJWKIPMJHHQKW-GFCCVEGCSA-N 1 0 304.459 3.515 10 0 DHAERO CC(C)c1ccc([C@@H](C)NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000261976862 331741340 /nfs/dbraw/zinc/74/13/40/331741340.db2.gz ZSHUIPDWRZQIBY-CQSZACIVSA-N 1 0 308.425 3.904 10 0 DHAERO CC1(C)CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000261691718 331759454 /nfs/dbraw/zinc/75/94/54/331759454.db2.gz HOESPCGCTLNYKY-GFCCVEGCSA-N 1 0 316.232 3.585 10 0 DHAERO Cc1c(Cl)cccc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000130038131 332022144 /nfs/dbraw/zinc/02/21/44/332022144.db2.gz OTUXUFDNDMOTEX-MLGOLLRUSA-N 1 0 302.805 3.923 10 0 DHAERO Cc1ccccc1[C@@H]([NH2+]CCCNC(=O)C(C)C)c1ccccc1 ZINC000181022154 332172847 /nfs/dbraw/zinc/17/28/47/332172847.db2.gz CKRYOOMZVYIYHW-FQEVSTJZSA-N 1 0 324.468 3.836 10 0 DHAERO C[C@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)CCCC2 ZINC000261603937 332289023 /nfs/dbraw/zinc/28/90/23/332289023.db2.gz CEFTWNHZOUYPOL-AWEZNQCLSA-N 1 0 320.436 3.660 10 0 DHAERO CC[C@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)c1cccs1 ZINC000049529594 332315363 /nfs/dbraw/zinc/31/53/63/332315363.db2.gz JYEKGRNUVRRGSN-KBPBESRZSA-N 1 0 300.427 3.897 10 0 DHAERO CC(C)c1nc2ccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2s1 ZINC000153446193 332383476 /nfs/dbraw/zinc/38/34/76/332383476.db2.gz GCWQZTKDFUQODK-RYUDHWBXSA-N 1 0 317.458 3.876 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1cccc(Cl)c1)CC2 ZINC000171981340 333056797 /nfs/dbraw/zinc/05/67/97/333056797.db2.gz RXCKCRHSUNLHNW-IUODEOHRSA-N 1 0 318.852 3.721 10 0 DHAERO C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)c1cccnc1 ZINC000112537081 333093708 /nfs/dbraw/zinc/09/37/08/333093708.db2.gz HEWSEAVALFVYKB-PXNSSMCTSA-N 1 0 309.457 3.787 10 0 DHAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](c1ccc(C)cc1)C1CCC1)CC2 ZINC000187328928 333429528 /nfs/dbraw/zinc/42/95/28/333429528.db2.gz CLNHTHNNFLSPOR-XLIONFOSSA-N 1 0 324.472 3.595 10 0 DHAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049129452 334315043 /nfs/dbraw/zinc/31/50/43/334315043.db2.gz KBKIYJXJBIMWHP-NXEZZACHSA-N 1 0 302.871 3.745 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)N1CCCCCC1 ZINC000049129499 334315108 /nfs/dbraw/zinc/31/51/08/334315108.db2.gz GYWMXOXSTCPSSW-NWDGAFQWSA-N 1 0 314.882 3.843 10 0 DHAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)c2cccnc12 ZINC000113270252 335301238 /nfs/dbraw/zinc/30/12/38/335301238.db2.gz CATJDXVWRJDYKU-UKRRQHHQSA-N 1 0 315.848 3.557 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000166108437 335571898 /nfs/dbraw/zinc/57/18/98/335571898.db2.gz RLSYPPMTVJJNHL-CQSZACIVSA-N 1 0 319.792 3.593 10 0 DHAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000052567355 335796095 /nfs/dbraw/zinc/79/60/95/335796095.db2.gz JBKAZRSAMKNQNK-MRXNPFEDSA-N 1 0 320.795 3.512 10 0 DHAERO C(OC1CCCC1)c1noc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000333461790 336204065 /nfs/dbraw/zinc/20/40/65/336204065.db2.gz PTVRDNMTZKSYEM-HNNXBMFYSA-N 1 0 305.422 3.608 10 0 DHAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)no1 ZINC000103150209 336237684 /nfs/dbraw/zinc/23/76/84/336237684.db2.gz SIJVHIKQKHXYGR-MRXNPFEDSA-N 1 0 321.424 3.986 10 0 DHAERO Cc1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1F ZINC000103243158 336239126 /nfs/dbraw/zinc/23/91/26/336239126.db2.gz BFWSCISORKNULZ-KRWDZBQOSA-N 1 0 315.392 3.559 10 0 DHAERO Clc1nc(N2CC[N@@H+]3CCCC[C@H]3C2)cc2ccccc21 ZINC000301250114 336296764 /nfs/dbraw/zinc/29/67/64/336296764.db2.gz RNZOFPQATXQKRW-AWEZNQCLSA-N 1 0 301.821 3.563 10 0 DHAERO CCc1c(C)[nH+]c2ccccc2c1NC[C@H](O)c1ccncc1 ZINC000302078388 336347457 /nfs/dbraw/zinc/34/74/57/336347457.db2.gz ZDAULSOQPUUKLR-SFHVURJKSA-N 1 0 307.397 3.646 10 0 DHAERO CCC1(CC)CN(c2cc[nH+]c3cc(F)ccc32)CC[S@]1=O ZINC000302208249 336354055 /nfs/dbraw/zinc/35/40/55/336354055.db2.gz AVWGWWKKDRHHDL-JOCHJYFZSA-N 1 0 320.433 3.501 10 0 DHAERO [NH3+]CCCN(Cc1ccccc1)C(=O)c1cc2ccccc2s1 ZINC000303984424 336981104 /nfs/dbraw/zinc/98/11/04/336981104.db2.gz DPMWMCJDQWDXHT-UHFFFAOYSA-N 1 0 324.449 3.893 10 0 DHAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000193916632 337080560 /nfs/dbraw/zinc/08/05/60/337080560.db2.gz YQQHJPMJOCQZKC-KRWDZBQOSA-N 1 0 313.445 3.600 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cc(Br)cs1 ZINC000194050085 337081344 /nfs/dbraw/zinc/08/13/44/337081344.db2.gz UBUDQGONJKRLLD-UMNHJUIQSA-N 1 0 318.280 3.712 10 0 DHAERO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1nnc(C)n1CC ZINC000173991597 337140374 /nfs/dbraw/zinc/14/03/74/337140374.db2.gz LIYRRULFGKLJJA-SFHVURJKSA-N 1 0 314.477 3.758 10 0 DHAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2ccccc2c1 ZINC000175017215 337143996 /nfs/dbraw/zinc/14/39/96/337143996.db2.gz ZUWMCUMVBGEKAI-RBUKOAKNSA-N 1 0 308.425 3.539 10 0 DHAERO CCSc1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000176355186 337150937 /nfs/dbraw/zinc/15/09/37/337150937.db2.gz HSBUJWKQSUUIBY-OAHLLOKOSA-N 1 0 321.490 3.747 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)sc1Cl ZINC000177037067 337153028 /nfs/dbraw/zinc/15/30/28/337153028.db2.gz QYJNGWUMFARDRM-SECBINFHSA-N 1 0 321.273 3.611 10 0 DHAERO Cc1nn(C)cc1[C@H](C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000178610012 337165415 /nfs/dbraw/zinc/16/54/15/337165415.db2.gz JGSHWISZUIIUIQ-LIRRHRJNSA-N 1 0 306.413 3.564 10 0 DHAERO CCn1cc([C@@H](C)N[C@@H](c2ccccc2)c2cccnc2)cn1 ZINC000178610952 337165439 /nfs/dbraw/zinc/16/54/39/337165439.db2.gz YFLSHHDMLCURCI-BEFAXECRSA-N 1 0 306.413 3.738 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)CC2 ZINC000179682462 337171146 /nfs/dbraw/zinc/17/11/46/337171146.db2.gz LXFHXGCWJXLNMT-GHMZBOCLSA-N 1 0 324.881 3.782 10 0 DHAERO Clc1ccc(/C=C/CN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000179880370 337172245 /nfs/dbraw/zinc/17/22/45/337172245.db2.gz XRORLTNHXGZMPU-BGTMTDRBSA-N 1 0 320.845 3.883 10 0 DHAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cnn(C(C)C)c2)C12CCCC2 ZINC000179863482 337172267 /nfs/dbraw/zinc/17/22/67/337172267.db2.gz LOBWWFYASRHYEH-IAGOWNOFSA-N 1 0 305.466 3.634 10 0 DHAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000180649617 337176935 /nfs/dbraw/zinc/17/69/35/337176935.db2.gz YEKTXMOTZWZBPH-FPCVCCKLSA-N 1 0 304.482 3.521 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CC[C@@H](C)c3ccccc31)CC2 ZINC000180647330 337177001 /nfs/dbraw/zinc/17/70/01/337177001.db2.gz SYUCYCKTVGDEDP-RKVPGOIHSA-N 1 0 324.472 3.945 10 0 DHAERO Cc1csc([C@@H]2CCC[N@H+](CCC(=O)c3ccccc3)C2)n1 ZINC000182181303 337187070 /nfs/dbraw/zinc/18/70/70/337187070.db2.gz FLSMLJYRRGSZME-MRXNPFEDSA-N 1 0 314.454 3.904 10 0 DHAERO CCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)cc1 ZINC000188112351 337270968 /nfs/dbraw/zinc/27/09/68/337270968.db2.gz PHMUECROOUVPTA-MSOLQXFVSA-N 1 0 301.455 3.518 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1csc(Cl)c1 ZINC000191367403 337296304 /nfs/dbraw/zinc/29/63/04/337296304.db2.gz AQJFSHJIKYBANQ-WCQYABFASA-N 1 0 322.865 3.511 10 0 DHAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)C(=O)Nc1ccc(OC)cc1 ZINC000192532982 337306322 /nfs/dbraw/zinc/30/63/22/337306322.db2.gz FPBZLDCVAOHNOZ-BBRMVZONSA-N 1 0 316.401 3.665 10 0 DHAERO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)cc1O ZINC000035258028 337342230 /nfs/dbraw/zinc/34/22/30/337342230.db2.gz YCZFHIKNRWADOM-NWDGAFQWSA-N 1 0 303.324 3.612 10 0 DHAERO COc1ccc(C(=O)[C@@H]2CCCC[C@H]2[NH+]2CCCCC2)cc1 ZINC000584605188 337371475 /nfs/dbraw/zinc/37/14/75/337371475.db2.gz DGXRLLURGNXNBI-QZTJIDSGSA-N 1 0 301.430 3.923 10 0 DHAERO C[NH+](C)CCN1c2ccccc2[C@H](c2ccccc2)CCC1=O ZINC000584626592 337375997 /nfs/dbraw/zinc/37/59/97/337375997.db2.gz UDGDCXKOTFQMGB-KRWDZBQOSA-N 1 0 308.425 3.507 10 0 DHAERO Cc1cccc(OC[C@H](COCc2ccccc2)[NH2+]C(C)C)c1 ZINC000584627512 337376149 /nfs/dbraw/zinc/37/61/49/337376149.db2.gz UDTBGHIHXFUGEZ-IBGZPJMESA-N 1 0 313.441 3.957 10 0 DHAERO C[NH+](C)C[C@H]1CN2c3ccccc3Sc3cccc(c32)C1=O ZINC000584632684 337377142 /nfs/dbraw/zinc/37/71/42/337377142.db2.gz PRLDIFCGGIHYKG-LBPRGKRZSA-N 1 0 310.422 3.663 10 0 DHAERO FC(F)(F)c1ccc(Nc2ccc([C@H]3C[NH2+]CCO3)nc2)cc1 ZINC000584633336 337377462 /nfs/dbraw/zinc/37/74/62/337377462.db2.gz CWRDKDSHVOKMNB-OAHLLOKOSA-N 1 0 323.318 3.505 10 0 DHAERO COc1cc2c(cc1OC)[C@H]1C[C@@H](c3ccccc3)C[N@@H+]1CC2 ZINC000584649271 337380521 /nfs/dbraw/zinc/38/05/21/337380521.db2.gz GGMQYTBZZVMOEE-SJLPKXTDSA-N 1 0 309.409 3.791 10 0 DHAERO C[NH+](C)C[C@@H](Cc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000584652621 337381172 /nfs/dbraw/zinc/38/11/72/337381172.db2.gz WQBLSXDKAKBJRV-MRXNPFEDSA-N 1 0 301.817 3.943 10 0 DHAERO CCn1cnnc1C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000105929915 337386857 /nfs/dbraw/zinc/38/68/57/337386857.db2.gz UYUPFUFQISJEQB-UHFFFAOYSA-N 1 0 320.440 3.831 10 0 DHAERO CC(C)C[C@@H](C[NH+](C)C)NCc1cscc1Br ZINC000336695184 337398304 /nfs/dbraw/zinc/39/83/04/337398304.db2.gz ILIBUSVNKYIICH-LBPRGKRZSA-N 1 0 319.312 3.577 10 0 DHAERO Cc1ncc(CN2CC[NH+]([C@H](C)c3ccccc3C)CC2)s1 ZINC000128068573 337423887 /nfs/dbraw/zinc/42/38/87/337423887.db2.gz YCIGGWBXEBSRKT-OAHLLOKOSA-N 1 0 315.486 3.639 10 0 DHAERO Cc1ccc2[nH+]ccc(N3C[C@H](CO)[C@@H](c4ccsc4)C3)c2c1 ZINC000249451395 337570362 /nfs/dbraw/zinc/57/03/62/337570362.db2.gz MGXLNDCIBGJRCW-NVXWUHKLSA-N 1 0 324.449 3.817 10 0 DHAERO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261721010 337609080 /nfs/dbraw/zinc/60/90/80/337609080.db2.gz KCWBUBSPHVOPGN-CKEIUWERSA-N 1 0 322.880 3.871 10 0 DHAERO CC[C@@H](C)Oc1ccccc1/C=C/c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000261738803 337609545 /nfs/dbraw/zinc/60/95/45/337609545.db2.gz KULUXCAMMGOZTC-SNESEAJLSA-N 1 0 315.417 3.568 10 0 DHAERO Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261783485 337610418 /nfs/dbraw/zinc/61/04/18/337610418.db2.gz PODQUXJGGLQXSH-NXWXRZEISA-N 1 0 314.473 3.670 10 0 DHAERO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000261791300 337610585 /nfs/dbraw/zinc/61/05/85/337610585.db2.gz LXSYXWGANRPQED-BXIUTXANSA-N 1 0 322.452 3.529 10 0 DHAERO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000261844819 337611507 /nfs/dbraw/zinc/61/15/07/337611507.db2.gz VEZXUOOSLYHGRX-COEWEUQVSA-N 1 0 320.864 3.528 10 0 DHAERO Cc1c(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)sc2cccc(F)c12 ZINC000261871184 337611875 /nfs/dbraw/zinc/61/18/75/337611875.db2.gz OBWWHOLDFMFFIT-CYBMUJFWSA-N 1 0 320.433 3.548 10 0 DHAERO CC(C)Cn1ccc2cc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000262307367 337616792 /nfs/dbraw/zinc/61/67/92/337616792.db2.gz RPKCFEBCRAORMD-HOTGVXAUSA-N 1 0 313.445 3.753 10 0 DHAERO Cc1ccc(Oc2ccccc2)c(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262574795 337619560 /nfs/dbraw/zinc/61/95/60/337619560.db2.gz SVXNICXRXVCDBS-CQSZACIVSA-N 1 0 310.397 3.581 10 0 DHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccsc2Br)C[C@H](C)O1 ZINC000527701873 337757617 /nfs/dbraw/zinc/75/76/17/337757617.db2.gz BEJPPCYNDVTMNA-JGPRNRPPSA-N 1 0 318.280 3.804 10 0 DHAERO CCCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000119803887 337865952 /nfs/dbraw/zinc/86/59/52/337865952.db2.gz JEKDSYSBKRXVAJ-ROUUACIJSA-N 1 0 306.494 3.584 10 0 DHAERO CCc1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2cccs2)cc1 ZINC000121495922 337894253 /nfs/dbraw/zinc/89/42/53/337894253.db2.gz FLSBNUYYRWKWGN-PBHICJAKSA-N 1 0 319.470 3.539 10 0 DHAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c(F)c1 ZINC000122861675 337924710 /nfs/dbraw/zinc/92/47/10/337924710.db2.gz RXPMTWUEZGZVSJ-QWHCGFSZSA-N 1 0 303.377 3.822 10 0 DHAERO C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1 ZINC000194965901 338785727 /nfs/dbraw/zinc/78/57/27/338785727.db2.gz OIBIKONZYWKILK-CORIIIEPSA-N 1 0 317.351 3.526 10 0 DHAERO C[C@@H]([NH2+]C1(C2CC2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495274641 339980070 /nfs/dbraw/zinc/98/00/70/339980070.db2.gz AADGVVLPWDKDGW-ZIAGYGMSSA-N 1 0 308.466 3.554 10 0 DHAERO C[C@H]([NH2+]CCC1(F)CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496136854 339999041 /nfs/dbraw/zinc/99/90/41/339999041.db2.gz JVYHVGDAEFGYCQ-UONOGXRCSA-N 1 0 314.445 3.504 10 0 DHAERO O[C@H](COCc1ccccc1)C[NH+]1CCC2(CCCCC2)CC1 ZINC000302976040 340291625 /nfs/dbraw/zinc/29/16/25/340291625.db2.gz FPEADMLNUQNGBK-IBGZPJMESA-N 1 0 317.473 3.610 10 0 DHAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000221044223 340521055 /nfs/dbraw/zinc/52/10/55/340521055.db2.gz MQAZWOVSTLCJTA-UHFFFAOYSA-N 1 0 317.433 3.561 10 0 DHAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000194032252 340588222 /nfs/dbraw/zinc/58/82/22/340588222.db2.gz IDJDUOSYQJOIDV-CVEARBPZSA-N 1 0 311.853 3.557 10 0 DHAERO COc1ccc([C@H](C)[NH2+]CCn2cc(C)cn2)c2ccccc12 ZINC000123906069 340796013 /nfs/dbraw/zinc/79/60/13/340796013.db2.gz XLMREVPSRNCAST-HNNXBMFYSA-N 1 0 309.413 3.704 10 0 DHAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000130824155 341048065 /nfs/dbraw/zinc/04/80/65/341048065.db2.gz YHFNJDCDROJCJC-WRWORJQWSA-N 1 0 319.040 3.710 10 0 DHAERO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000134867485 341225595 /nfs/dbraw/zinc/22/55/95/341225595.db2.gz CKOXRJUMXOYZMZ-INIZCTEOSA-N 1 0 311.441 3.602 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccccc1Cl ZINC000245414150 341292251 /nfs/dbraw/zinc/29/22/51/341292251.db2.gz CVBQKYBTUSTTHQ-KGLIPLIRSA-N 1 0 323.868 3.527 10 0 DHAERO CC[N@@H+]1CC[C@H](Nc2cccc(-n3nc(C)cc3C)c2)[C@@H](C)C1 ZINC000245555385 341301682 /nfs/dbraw/zinc/30/16/82/341301682.db2.gz CDYKKBVNTBIFDJ-LIRRHRJNSA-N 1 0 312.461 3.631 10 0 DHAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)ccc1Cl ZINC000246056477 341322934 /nfs/dbraw/zinc/32/29/34/341322934.db2.gz QIDOVKBKBVBVSX-KBPBESRZSA-N 1 0 321.852 3.739 10 0 DHAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000246141478 341329129 /nfs/dbraw/zinc/32/91/29/341329129.db2.gz BAOPNLVZODRHPI-KBXCAEBGSA-N 1 0 311.429 3.690 10 0 DHAERO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@@H](O)COC(C)(C)C)c1 ZINC000246592106 341354117 /nfs/dbraw/zinc/35/41/17/341354117.db2.gz ROAUCUPZOZMJNJ-SJLPKXTDSA-N 1 0 305.462 3.616 10 0 DHAERO CC(C)C[C@H](CO)[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000246825069 341357379 /nfs/dbraw/zinc/35/73/79/341357379.db2.gz BJYVFYNFVKIZAM-BFHYXJOUSA-N 1 0 306.475 3.785 10 0 DHAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H](c2ccccc2)C(C)C)C1 ZINC000247109828 341361105 /nfs/dbraw/zinc/36/11/05/341361105.db2.gz VNQXZNBHCYAPJV-ROUUACIJSA-N 1 0 317.477 3.509 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1cc(F)ccc1F ZINC000247187955 341362004 /nfs/dbraw/zinc/36/20/04/341362004.db2.gz WJYOSFQAPUFCRN-DOMZBBRYSA-N 1 0 305.372 3.695 10 0 DHAERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)cc1OCC ZINC000247940485 341371309 /nfs/dbraw/zinc/37/13/09/341371309.db2.gz CYRSGNWLOVBTGK-XIRDDKMYSA-N 1 0 321.461 3.686 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(Br)s1 ZINC000247950005 341371415 /nfs/dbraw/zinc/37/14/15/341371415.db2.gz DXLLIUKBXNIHKD-GARJFASQSA-N 1 0 318.280 3.712 10 0 DHAERO Cc1ccc([C@H]([NH2+][C@@H](C)C[S@@](C)=O)c2ccccc2)c(C)c1 ZINC000248492136 341378838 /nfs/dbraw/zinc/37/88/38/341378838.db2.gz OJMGSELRIJOMJA-DKZVUGQWSA-N 1 0 315.482 3.749 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@@H+](C[C@H](C)Cc3ccccc3)C2)no1 ZINC000248559349 341379871 /nfs/dbraw/zinc/37/98/71/341379871.db2.gz JCAAFYDTRPUSID-QAPCUYQASA-N 1 0 313.445 3.511 10 0 DHAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000248663286 341383589 /nfs/dbraw/zinc/38/35/89/341383589.db2.gz ZKXMGAUAUZWQKO-UAGQMJEPSA-N 1 0 309.450 3.539 10 0 DHAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC1CCC(C(F)(F)F)CC1 ZINC000248702859 341384736 /nfs/dbraw/zinc/38/47/36/341384736.db2.gz GQJJUIRHZAANBY-PPWQZUPISA-N 1 0 304.400 3.524 10 0 DHAERO C[C@@H](CC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000248826394 341387798 /nfs/dbraw/zinc/38/77/98/341387798.db2.gz GJHUOVQFGLDINY-HKUYNNGSSA-N 1 0 324.472 3.571 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)C12CCOCC2 ZINC000249025692 341392157 /nfs/dbraw/zinc/39/21/57/341392157.db2.gz RNZXVJOGGGCCBI-XLAORIBOSA-N 1 0 307.478 3.519 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(CC)cc2)C12CCOCC2 ZINC000249067482 341393136 /nfs/dbraw/zinc/39/31/36/341393136.db2.gz ZRALZEUIKOMUOP-ATZDWAIDSA-N 1 0 317.473 3.874 10 0 DHAERO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000249175102 341394817 /nfs/dbraw/zinc/39/48/17/341394817.db2.gz DSVGEFWWVXVYQF-RLLQIKCJSA-N 1 0 324.472 3.501 10 0 DHAERO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1C ZINC000089732643 341407767 /nfs/dbraw/zinc/40/77/67/341407767.db2.gz TXWQLKFWOPPBDL-QZTJIDSGSA-N 1 0 324.472 3.721 10 0 DHAERO CCC(=O)N1CC[C@H]([NH2+][C@@H](c2ccccc2Cl)C(C)C)C1 ZINC000091371298 341425396 /nfs/dbraw/zinc/42/53/96/341425396.db2.gz XPJOONROSCVQGF-SUMWQHHRSA-N 1 0 308.853 3.638 10 0 DHAERO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(F)cc1Br ZINC000164040564 341702873 /nfs/dbraw/zinc/70/28/73/341702873.db2.gz VXJFOAJGVSFDHM-NOZJJQNGSA-N 1 0 318.230 3.646 10 0 DHAERO C[NH2+][C@@H]1CCCC[C@H]1Cc1cc(Br)ccc1OC ZINC000049597141 517977813 /nfs/dbraw/zinc/97/78/13/517977813.db2.gz VPPYHUHJDZCMSG-SMDDNHRTSA-N 1 0 312.251 3.778 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCc2ccsc2)C1 ZINC000172472434 518807095 /nfs/dbraw/zinc/80/70/95/518807095.db2.gz ZBQMPOVVDOUAOC-OAHLLOKOSA-N 1 0 324.490 3.527 10 0 DHAERO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000112541016 519645661 /nfs/dbraw/zinc/64/56/61/519645661.db2.gz OSAGISODWBWWPT-JAGHRAMZSA-N 1 0 310.441 3.938 10 0 DHAERO CC(C)c1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccccc2)n1 ZINC000070456194 519833508 /nfs/dbraw/zinc/83/35/08/519833508.db2.gz CSGHXQZXQWROND-HNNXBMFYSA-N 1 0 310.445 3.679 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H]1CCCCc3ccccc31)CC2 ZINC000177442471 519896757 /nfs/dbraw/zinc/89/67/57/519896757.db2.gz BEWFUIMVDNFLJH-WMZOPIPTSA-N 1 0 324.472 3.774 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1csc(Cl)c1)CC2 ZINC000191428251 519897609 /nfs/dbraw/zinc/89/76/09/519897609.db2.gz HILZDEBTQQXKFI-CMPLNLGQSA-N 1 0 324.881 3.782 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCc2ccccc2)C12CCOCC2 ZINC000186195447 520433037 /nfs/dbraw/zinc/43/30/37/520433037.db2.gz YJTUWKZKBOQADZ-YTQUADARSA-N 1 0 317.473 3.572 10 0 DHAERO CC1(C)C[C@H]([NH2+]C2CCC3(CC2)OCCO3)c2ccccc2O1 ZINC000161784160 520554252 /nfs/dbraw/zinc/55/42/52/520554252.db2.gz FISIXZPDSGMVAB-INIZCTEOSA-N 1 0 317.429 3.564 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@H](C)c2cc3cccc(OC)c3o2)C1 ZINC000249612432 521649573 /nfs/dbraw/zinc/64/95/73/521649573.db2.gz DHIJYWRVHVHLCE-HIFRSBDPSA-N 1 0 302.418 3.576 10 0 DHAERO C[NH+](C)[C@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000181983516 522101616 /nfs/dbraw/zinc/10/16/16/522101616.db2.gz USXIVQKFDCFDKE-SFHVURJKSA-N 1 0 309.413 3.581 10 0 DHAERO CCc1nc(C)c([C@@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)s1 ZINC000163800976 522225231 /nfs/dbraw/zinc/22/52/31/522225231.db2.gz GDWZCSZWUMTCLM-CZUORRHYSA-N 1 0 317.502 3.967 10 0 DHAERO CC[C@H]([NH2+]Cc1nnc(C2CC2)n1C)C(C)(C)c1ccccc1 ZINC000180006363 522673748 /nfs/dbraw/zinc/67/37/48/522673748.db2.gz ZNTCWXYCKRDJGX-INIZCTEOSA-N 1 0 312.461 3.539 10 0 DHAERO CC[C@@H](O)CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000128153271 522990675 /nfs/dbraw/zinc/99/06/75/522990675.db2.gz XHKFVILBCLKZDS-HUUCEWRRSA-N 1 0 316.470 3.938 10 0 DHAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000180522419 524027641 /nfs/dbraw/zinc/02/76/41/524027641.db2.gz HRHORUQTPOCEOV-CHWSQXEVSA-N 1 0 318.490 3.691 10 0 DHAERO C[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)[C@@H]([NH3+])c1ccccc1 ZINC000226797799 524223109 /nfs/dbraw/zinc/22/31/09/524223109.db2.gz XMSDFBIVYFLMDX-JRPNMDOOSA-N 1 0 322.861 3.915 10 0 DHAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc1C ZINC000180514714 525744697 /nfs/dbraw/zinc/74/46/97/525744697.db2.gz VFRIYZFHRXHCRE-NVXWUHKLSA-N 1 0 312.461 3.684 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(C)nc4ccccc34)C2)c1 ZINC000124656162 526266022 /nfs/dbraw/zinc/26/60/22/526266022.db2.gz BBIROUYEZNNOMA-GOSISDBHSA-N 1 0 320.440 3.885 10 0 DHAERO Clc1ccc([C@@H]2C[C@H]2C[NH2+]Cc2csnn2)c(Cl)c1 ZINC000182640576 526962706 /nfs/dbraw/zinc/96/27/06/526962706.db2.gz HGXVXMCQUQYBAE-QPUJVOFHSA-N 1 0 314.241 3.738 10 0 DHAERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(Oc4ccccc4)o3)C2)cn1 ZINC000180436169 527319278 /nfs/dbraw/zinc/31/92/78/527319278.db2.gz CHOSDGKLKPVOEW-HNNXBMFYSA-N 1 0 323.396 3.795 10 0 DHAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(Oc3ccccc3)cc2)C1 ZINC000237872700 527349782 /nfs/dbraw/zinc/34/97/82/527349782.db2.gz XKOBXWUODPFTBT-IAGOWNOFSA-N 1 0 324.424 3.613 10 0 DHAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000237894532 527356183 /nfs/dbraw/zinc/35/61/83/527356183.db2.gz WITPFKWGEJBIPG-XJKSGUPXSA-N 1 0 320.864 3.743 10 0 DHAERO Cc1ccc([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1F ZINC000675052492 563780636 /nfs/dbraw/zinc/78/06/36/563780636.db2.gz ASHKHVHUGQGJDY-HIFRSBDPSA-N 1 0 308.397 3.533 10 0 DHAERO Cc1ccc([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c(F)c1 ZINC000675055708 563909891 /nfs/dbraw/zinc/90/98/91/563909891.db2.gz WVPOPNAQPLMZAL-IUODEOHRSA-N 1 0 308.397 3.533 10 0 DHAERO COCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000013722267 563387429 /nfs/dbraw/zinc/38/74/29/563387429.db2.gz TZULWRQMKRFHDH-UHFFFAOYSA-N 1 0 303.377 3.531 10 0 DHAERO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000068593029 563495666 /nfs/dbraw/zinc/49/56/66/563495666.db2.gz WZVGIPUTVFCAAB-ZOBUZTSGSA-N 1 0 318.461 3.810 10 0 DHAERO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2sccc21 ZINC000725242508 563525636 /nfs/dbraw/zinc/52/56/36/563525636.db2.gz ABPYAMNPFKKMRC-RHSMWYFYSA-N 1 0 324.490 3.658 10 0 DHAERO CCc1ccc([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1 ZINC000675054489 563861704 /nfs/dbraw/zinc/86/17/04/563861704.db2.gz NSHFBFGHHDRNRD-HOTGVXAUSA-N 1 0 304.434 3.648 10 0 DHAERO Cc1cc(C)cc([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675054647 563869197 /nfs/dbraw/zinc/86/91/97/563869197.db2.gz OSOPWKKPPMGEAQ-HZPDHXFCSA-N 1 0 304.434 3.703 10 0 DHAERO CC(=O)Nc1ccc(C[N@H+]2CC=C(c3cccs3)CC2)cc1 ZINC000093533757 1032543475 /nfs/dbraw/zinc/54/34/75/1032543475.db2.gz WKUBJSWJDGWHFQ-UHFFFAOYSA-N 1 0 312.438 3.996 10 0 DHAERO Cc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000047326739 1025617725 /nfs/dbraw/zinc/61/77/25/1025617725.db2.gz ALJFOXFYBRLJKC-UHFFFAOYSA-N 1 0 321.852 3.741 10 0 DHAERO C[NH2+]Cc1sc(Cc2ccccc2OC)nc1C(C)(C)C ZINC000082438879 185182828 /nfs/dbraw/zinc/18/28/28/185182828.db2.gz YRMMVESFICRGND-UHFFFAOYSA-N 1 0 304.459 3.759 10 0 DHAERO COCc1nc(-c2ccc(Cl)cc2)sc1C[NH2+]C1CC1 ZINC000082445313 185183449 /nfs/dbraw/zinc/18/34/49/185183449.db2.gz DSDCRVFGNCGBCB-UHFFFAOYSA-N 1 0 308.834 3.862 10 0 DHAERO Cc1cc(C)c(C(=O)[C@H]2CCC[NH2+]C2)c(C)c1Br ZINC000083161578 185215072 /nfs/dbraw/zinc/21/50/72/185215072.db2.gz XDAVRVYJWFYTRW-LBPRGKRZSA-N 1 0 310.235 3.557 10 0 DHAERO CCn1cc(C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)cn1 ZINC000092809114 185342912 /nfs/dbraw/zinc/34/29/12/185342912.db2.gz MGEYTJWDGJUJJG-UHFFFAOYSA-N 1 0 305.372 3.561 10 0 DHAERO Cn1nccc1C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000092810340 185343048 /nfs/dbraw/zinc/34/30/48/185343048.db2.gz HXWDHCUDMZQCMC-UHFFFAOYSA-N 1 0 307.800 3.592 10 0 DHAERO C[C@@H](c1cccs1)[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000092901935 185348364 /nfs/dbraw/zinc/34/83/64/185348364.db2.gz PDMXFMMSOQPSNY-QWHCGFSZSA-N 1 0 310.463 3.750 10 0 DHAERO CC(C)Cc1c2cc(Br)cc(F)c2oc1C[NH3+] ZINC000052068921 190682284 /nfs/dbraw/zinc/68/22/84/190682284.db2.gz WVEJHMSNKFWRIT-UHFFFAOYSA-N 1 0 300.171 3.992 10 0 DHAERO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000236711370 201977017 /nfs/dbraw/zinc/97/70/17/201977017.db2.gz KSWVHBSAYLCVNI-GOSISDBHSA-N 1 0 316.401 3.565 10 0 DHAERO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CN(C)C(=O)O3)CC2)cc1 ZINC000072164852 191065903 /nfs/dbraw/zinc/06/59/03/191065903.db2.gz AUYCQGRMOLGPHH-LJQANCHMSA-N 1 0 316.445 3.617 10 0 DHAERO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)n2)cc1 ZINC000150692233 186057279 /nfs/dbraw/zinc/05/72/79/186057279.db2.gz OENRCUPSXHVPSO-KGLIPLIRSA-N 1 0 315.442 3.575 10 0 DHAERO Cc1ccc(-c2csc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)n2)cc1 ZINC000150692236 186057473 /nfs/dbraw/zinc/05/74/73/186057473.db2.gz OENRCUPSXHVPSO-KBPBESRZSA-N 1 0 315.442 3.575 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000236799959 202016157 /nfs/dbraw/zinc/01/61/57/202016157.db2.gz BILCMBPHBFCRLQ-JKSUJKDBSA-N 1 0 308.853 3.911 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 ZINC000236804424 202018902 /nfs/dbraw/zinc/01/89/02/202018902.db2.gz XANHIASHONUBAF-MRXNPFEDSA-N 1 0 313.401 3.557 10 0 DHAERO CCc1nc(-c2ccc(C)cc2)nc(NCC2CC[NH2+]CC2)c1C ZINC000073684281 191341534 /nfs/dbraw/zinc/34/15/34/191341534.db2.gz RZCCYWVAMRGFQO-UHFFFAOYSA-N 1 0 324.472 3.734 10 0 DHAERO Clc1nc2c3ccccc3sc2c(N[C@H]2CCC[NH2+]C2)n1 ZINC000073736351 191349440 /nfs/dbraw/zinc/34/94/40/191349440.db2.gz LKZQQUJTZKDOEG-VIFPVBQESA-N 1 0 318.833 3.662 10 0 DHAERO CCC[C@H]1[C@@H](CC(=O)NC(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000005470018 181247626 /nfs/dbraw/zinc/24/76/26/181247626.db2.gz FDZLZLAFLPFOSA-MSOLQXFVSA-N 1 0 302.462 3.592 10 0 DHAERO CCC(CC)(NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000236915187 202067963 /nfs/dbraw/zinc/06/79/63/202067963.db2.gz RGPJJDSGIUXJRQ-SWLSCSKDSA-N 1 0 308.853 3.599 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)NC(c1cccc(C)c1)c1cccc(C)c1 ZINC000236933852 202078473 /nfs/dbraw/zinc/07/84/73/202078473.db2.gz KIZJONHSTQMTNZ-GOSISDBHSA-N 1 0 310.441 3.636 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(OCc2ccccc2C)c1 ZINC000236956739 202092782 /nfs/dbraw/zinc/09/27/82/202092782.db2.gz NBQDGFULBNXEGW-SFHVURJKSA-N 1 0 312.413 3.640 10 0 DHAERO Cc1ccc2c(c1)C1(C[C@@H]2[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000091302962 193036001 /nfs/dbraw/zinc/03/60/01/193036001.db2.gz UNGYUTDHXAELTG-INIZCTEOSA-N 1 0 316.445 3.667 10 0 DHAERO COc1cc(C[NH3+])cc(Cl)c1OCCCc1ccccc1 ZINC000011799700 181706108 /nfs/dbraw/zinc/70/61/08/181706108.db2.gz XNSFSNPVCMDQFL-UHFFFAOYSA-N 1 0 305.805 3.819 10 0 DHAERO CC(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000016473543 182045922 /nfs/dbraw/zinc/04/59/22/182045922.db2.gz PVFOHIGNWQNEJK-UHFFFAOYSA-N 1 0 308.731 3.685 10 0 DHAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000019233405 182110748 /nfs/dbraw/zinc/11/07/48/182110748.db2.gz MVKAYKUWHUBLHL-KSBSHMNSSA-N 1 0 309.624 3.959 10 0 DHAERO CCN1CC[N@H+](C(C)C)[C@@H]2CCn3c4ccccc4c(C)c3[C@H]21 ZINC000019367444 182120286 /nfs/dbraw/zinc/12/02/86/182120286.db2.gz WXNVFYIBELASJW-QUCCMNQESA-N 1 0 311.473 3.809 10 0 in-man DHAERO [NH3+]C[C@@H](c1ccc(Br)s1)N1CCc2ccccc21 ZINC000019396506 182122069 /nfs/dbraw/zinc/12/20/69/182122069.db2.gz OTKBFHVDIWIJNQ-LBPRGKRZSA-N 1 0 323.259 3.573 10 0 DHAERO C[NH2+]Cc1cccc(OC)c1OCc1c(F)cccc1Cl ZINC000019777400 182147766 /nfs/dbraw/zinc/14/77/66/182147766.db2.gz KHMJHJVMHKZSEX-UHFFFAOYSA-N 1 0 309.768 3.786 10 0 DHAERO [NH3+][C@@H](c1ccc2c(c1)CCO2)c1ccc(Br)cc1F ZINC000019971141 182171237 /nfs/dbraw/zinc/17/12/37/182171237.db2.gz DHCNUVPXUFMJJI-HNNXBMFYSA-N 1 0 322.177 3.571 10 0 DHAERO [NH3+][C@@H](c1ccc(F)c(F)c1)c1ccc(Br)cc1F ZINC000019968497 182171386 /nfs/dbraw/zinc/17/13/86/182171386.db2.gz SYDJIWGXAJRRHS-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000020022624 182179812 /nfs/dbraw/zinc/17/98/12/182179812.db2.gz VHNYYBLRWFKSSN-OAHLLOKOSA-N 1 0 321.207 3.646 10 0 DHAERO CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(Br)c1)N(C)C ZINC000020145585 182192693 /nfs/dbraw/zinc/19/26/93/182192693.db2.gz HXXPBOJALIHZOZ-SWLSCSKDSA-N 1 0 313.283 3.686 10 0 DHAERO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](CN)c2ccc(C(F)(F)F)cc2)C1 ZINC000020081908 182185274 /nfs/dbraw/zinc/18/52/74/182185274.db2.gz QGXJNMNXCIJUOK-ZOWXZIJZSA-N 1 0 300.368 3.683 10 0 DHAERO Cc1ccc(OCc2ccccc2C(N)=[NH2+])c(Br)c1 ZINC000020077917 182185340 /nfs/dbraw/zinc/18/53/40/182185340.db2.gz IZBFTUBCBUMULV-UHFFFAOYSA-N 1 0 319.202 3.621 10 0 DHAERO CN(Cc1ccc(F)cc1)[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000020226281 182199009 /nfs/dbraw/zinc/19/90/09/182199009.db2.gz GWJXLQVAHYICMF-OAHLLOKOSA-N 1 0 310.775 3.750 10 0 DHAERO [NH3+]C[C@@H](c1cccc(Br)c1)N1CCCCCCC1 ZINC000020265282 182200703 /nfs/dbraw/zinc/20/07/03/182200703.db2.gz QVZMLPLJAKUFKY-HNNXBMFYSA-N 1 0 311.267 3.715 10 0 DHAERO Cc1nc2scc(-c3ccc(F)cc3)c2c(NCCC[NH3+])n1 ZINC000020325785 182207757 /nfs/dbraw/zinc/20/77/57/182207757.db2.gz OWKIBTHRLXLTIJ-UHFFFAOYSA-N 1 0 316.405 3.567 10 0 DHAERO CN(C)CC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000020477634 182221681 /nfs/dbraw/zinc/22/16/81/182221681.db2.gz JGVAJUJDARJOJI-UHFFFAOYSA-N 1 0 318.848 3.570 10 0 DHAERO COCC[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000020875971 182251738 /nfs/dbraw/zinc/25/17/38/182251738.db2.gz KIRRYKUQHLSBLZ-UHFFFAOYSA-N 1 0 324.218 3.754 10 0 DHAERO CCC[NH2+]Cc1cc(Br)cc(OC)c1OCCC ZINC000020934190 182255284 /nfs/dbraw/zinc/25/52/84/182255284.db2.gz DJCJLZQOFVGCSP-UHFFFAOYSA-N 1 0 316.239 3.746 10 0 DHAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2cccc(Cl)c2Cl)C1 ZINC000021012390 182260087 /nfs/dbraw/zinc/26/00/87/182260087.db2.gz WTBYDPGEEXZUMU-WDMOLILDSA-N 1 0 301.261 3.971 10 0 DHAERO OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000021983372 182301840 /nfs/dbraw/zinc/30/18/40/182301840.db2.gz HOCWWBFODSQMGO-MRXNPFEDSA-N 1 0 322.235 3.981 10 0 DHAERO CCN(CCc1ccc(Cl)c(Cl)c1)CC[NH+]1CCCC1 ZINC000022454093 182321944 /nfs/dbraw/zinc/32/19/44/182321944.db2.gz NMEAEGORKFOIDR-UHFFFAOYSA-N 1 0 315.288 3.954 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)cc(Cl)c1OC ZINC000022935887 182341919 /nfs/dbraw/zinc/34/19/19/182341919.db2.gz JIFSVNIQDNIJKC-ZDUSSCGKSA-N 1 0 317.260 3.576 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1cccnc1 ZINC000022931688 182342892 /nfs/dbraw/zinc/34/28/92/182342892.db2.gz AOSUEMOFMUFXPO-KRWDZBQOSA-N 1 0 315.486 3.630 10 0 DHAERO [NH3+]Cc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000040417894 183063569 /nfs/dbraw/zinc/06/35/69/183063569.db2.gz NSHKRFZGETZCDQ-UHFFFAOYSA-N 1 0 305.303 3.562 10 0 DHAERO Cc1ccc(C)c(Nc2ncnc(Nc3cc[nH+]cc3)c2N)c1 ZINC000040687498 183117791 /nfs/dbraw/zinc/11/77/91/183117791.db2.gz ZDQGOLXPODENHN-UHFFFAOYSA-N 1 0 306.373 3.558 10 0 DHAERO CC1CC[NH+](CC[C@H](O)c2ccc(Br)cc2)CC1 ZINC000041145224 183176313 /nfs/dbraw/zinc/17/63/13/183176313.db2.gz ZYLVSHCZKHENSV-HNNXBMFYSA-N 1 0 312.251 3.605 10 0 DHAERO CCCC[N@H+](C)CC[C@H](O)c1ccc(Br)cc1 ZINC000041145262 183176446 /nfs/dbraw/zinc/17/64/46/183176446.db2.gz ILRDMZMBKRUZFC-AWEZNQCLSA-N 1 0 300.240 3.605 10 0 DHAERO CN(CCC[NH2+]C(C)(C)C)Cc1ccccc1Br ZINC000042441247 183270170 /nfs/dbraw/zinc/27/01/70/183270170.db2.gz WWSULIKYTGMXGX-UHFFFAOYSA-N 1 0 313.283 3.659 10 0 DHAERO CC[N@@H+](Cc1c(Cl)cccc1Cl)C[C@H](C)C(N)=S ZINC000042444121 183271330 /nfs/dbraw/zinc/27/13/30/183271330.db2.gz DPYBPTLJELGLCN-VIFPVBQESA-N 1 0 305.274 3.738 10 0 DHAERO C[C@H]([NH2+]C1CCS(=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000042335968 183255326 /nfs/dbraw/zinc/25/53/26/183255326.db2.gz QHHWCZXATYONNL-CEGNQUAASA-N 1 0 306.258 3.555 10 0 DHAERO CC(C)C[C@H](C)N(C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042577554 183286102 /nfs/dbraw/zinc/28/61/02/183286102.db2.gz UHBUMIFRXSBNFS-JQWIXIFHSA-N 1 0 319.312 3.877 10 0 DHAERO CC(C)CN(C(C)C)[C@@H](C[NH3+])c1ccccc1Br ZINC000042579778 183286136 /nfs/dbraw/zinc/28/61/36/183286136.db2.gz RBWMYTWRQCXSFZ-HNNXBMFYSA-N 1 0 313.283 3.815 10 0 DHAERO CC(C)C[N@H+](C(C)C)[C@@H](CN)c1cc(Br)cs1 ZINC000042579834 183287192 /nfs/dbraw/zinc/28/71/92/183287192.db2.gz XFKOYGBZOVTQGR-LBPRGKRZSA-N 1 0 319.312 3.877 10 0 DHAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CC)C1CC1 ZINC000042952780 183321326 /nfs/dbraw/zinc/32/13/26/183321326.db2.gz CENHFVVZCLPKTI-CABCVRRESA-N 1 0 311.267 3.712 10 0 DHAERO C[C@@H](N)[C@H](c1ccc(Br)cc1)[N@H+](C)C1CCCC1 ZINC000042952841 183321409 /nfs/dbraw/zinc/32/14/09/183321409.db2.gz SFPGQYXLNNGVGD-IAQYHMDHSA-N 1 0 311.267 3.712 10 0 DHAERO CCCN([C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+])C1CC1 ZINC000042952884 183322001 /nfs/dbraw/zinc/32/20/01/183322001.db2.gz MHRLNCRPMRFTQN-ABAIWWIYSA-N 1 0 311.267 3.712 10 0 DHAERO CC[C@H]([NH3+])[C@H](SCCOC)c1ccc(Br)cc1 ZINC000042959460 183323835 /nfs/dbraw/zinc/32/38/35/183323835.db2.gz ZSAMGYGLVOMWHR-QWHCGFSZSA-N 1 0 318.280 3.607 10 0 DHAERO [NH3+]C[C@@H](Oc1cccc(Br)c1)c1cccc(F)c1 ZINC000042973563 183325509 /nfs/dbraw/zinc/32/55/09/183325509.db2.gz KRUHAXQWOYCXRC-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)Cc1ccco1 ZINC000043020510 183328407 /nfs/dbraw/zinc/32/84/07/183328407.db2.gz RXWBBZUXECHAHB-ABAIWWIYSA-N 1 0 323.234 3.562 10 0 DHAERO CCCCN(C)[C@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020134 183328518 /nfs/dbraw/zinc/32/85/18/183328518.db2.gz RZKNSIFJTISEQD-HUUCEWRRSA-N 1 0 313.283 3.959 10 0 DHAERO CCCCCN(C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020407 183328629 /nfs/dbraw/zinc/32/86/29/183328629.db2.gz AQVFMVRUUGPJDD-IUODEOHRSA-N 1 0 313.283 3.959 10 0 DHAERO CCCC[N@H+](CC)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020136 183328740 /nfs/dbraw/zinc/32/87/40/183328740.db2.gz MRRGCITYYHVKBI-IUODEOHRSA-N 1 0 313.283 3.959 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCC(C)CC1 ZINC000043019782 183329080 /nfs/dbraw/zinc/32/90/80/183329080.db2.gz MIFKHFGSDFCFCS-WFASDCNBSA-N 1 0 311.267 3.569 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)Cc1ccoc1 ZINC000043021197 183329446 /nfs/dbraw/zinc/32/94/46/183329446.db2.gz SNNRWYKVFOKSHA-IAQYHMDHSA-N 1 0 323.234 3.562 10 0 DHAERO [NH3+]C[C@H](Oc1cccc(F)c1)c1cccc(Br)c1 ZINC000043022718 183330474 /nfs/dbraw/zinc/33/04/74/183330474.db2.gz IEVDEEOMTNWOMG-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1)c1cccc(Br)c1 ZINC000043022653 183330971 /nfs/dbraw/zinc/33/09/71/183330971.db2.gz KJRIZKUYNJXKLE-IAQYHMDHSA-N 1 0 306.203 3.916 10 0 DHAERO [NH3+]C[C@H](Sc1ccccn1)c1cccc(Br)c1 ZINC000043024415 183331123 /nfs/dbraw/zinc/33/11/23/183331123.db2.gz ULKUUDGQIJNKHY-LBPRGKRZSA-N 1 0 309.232 3.636 10 0 DHAERO Brc1ccccc1C1CC([NH2+]C[C@@H]2CCCCO2)C1 ZINC000042815451 183312314 /nfs/dbraw/zinc/31/23/14/183312314.db2.gz GCBFHNQBNDSLFA-RUXDESIVSA-N 1 0 324.262 3.854 10 0 DHAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1Br)c1cccs1 ZINC000043110048 183337979 /nfs/dbraw/zinc/33/79/79/183337979.db2.gz PGMJPTXURLSULJ-NOZJJQNGSA-N 1 0 312.232 3.978 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1ccc(Cl)s1 ZINC000043105588 183337980 /nfs/dbraw/zinc/33/79/80/183337980.db2.gz LJTLNDQQMGGXEX-RNCFNFMXSA-N 1 0 300.880 3.983 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N1CCCC[C@@H]1C ZINC000043090394 183335671 /nfs/dbraw/zinc/33/56/71/183335671.db2.gz FMJNAXVXGAPFDG-YWPYICTPSA-N 1 0 311.267 3.712 10 0 DHAERO CCCN(CC)[C@H](c1ccccc1Br)[C@H]([NH3+])CC ZINC000043091289 183336196 /nfs/dbraw/zinc/33/61/96/183336196.db2.gz TXELHAHKQQIRMD-HUUCEWRRSA-N 1 0 313.283 3.959 10 0 DHAERO CCC[NH2+][C@H]1CCN([C@@H](C)c2cccc(Br)c2)C1 ZINC000049568534 183742820 /nfs/dbraw/zinc/74/28/20/183742820.db2.gz JKMYYDXUGUZJHY-WFASDCNBSA-N 1 0 311.267 3.584 10 0 DHAERO C[NH2+][C@@H](Cc1ccc(OC)c(Br)c1)C(C)(C)C ZINC000049599684 183747026 /nfs/dbraw/zinc/74/70/26/183747026.db2.gz FBNGNEPJPNCVKQ-ZDUSSCGKSA-N 1 0 300.240 3.634 10 0 DHAERO Cc1ccc(C(N)=[NH2+])c(Oc2ccccc2Br)c1 ZINC000051580474 183830869 /nfs/dbraw/zinc/83/08/69/183830869.db2.gz ZSFZDPOCQMMKBM-UHFFFAOYSA-N 1 0 305.175 3.834 10 0 DHAERO [NH3+]C[C@H](Cc1ccc(Br)cc1)c1ccccc1F ZINC000057735890 184050477 /nfs/dbraw/zinc/05/04/77/184050477.db2.gz GGGQMYXOCJSMRD-LBPRGKRZSA-N 1 0 308.194 3.873 10 0 DHAERO CC[NH2+][C@H](CC)c1nnc(-c2ccc(Br)cc2)o1 ZINC000061512260 184171972 /nfs/dbraw/zinc/17/19/72/184171972.db2.gz NJYBJOGPIGXAFJ-LLVKDONJSA-N 1 0 310.195 3.560 10 0 DHAERO Brc1ccccc1CN1CC[NH2+]Cc2ccccc21 ZINC000062818229 184254167 /nfs/dbraw/zinc/25/41/67/184254167.db2.gz HQHJFMBFANZAHV-UHFFFAOYSA-N 1 0 317.230 3.559 10 0 DHAERO C[NH2+][C@@H](Cc1ccc(Br)cc1)c1ccc(C)nc1 ZINC000062949906 184261603 /nfs/dbraw/zinc/26/16/03/184261603.db2.gz HOBQZYUFCIRYCD-HNNXBMFYSA-N 1 0 305.219 3.656 10 0 DHAERO Cc1cc(Br)ccc1OCc1ccc(C[NH3+])cc1F ZINC000063061822 184268517 /nfs/dbraw/zinc/26/85/17/184268517.db2.gz WOMJWGDGQYJPME-UHFFFAOYSA-N 1 0 324.193 3.934 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2ccc(F)c(C)c2)c(Br)c1 ZINC000063055940 184268686 /nfs/dbraw/zinc/26/86/86/184268686.db2.gz ACVQWLJWQVVXLD-HNNXBMFYSA-N 1 0 324.193 3.953 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N1CCCC1(C)C ZINC000063065910 184269119 /nfs/dbraw/zinc/26/91/19/184269119.db2.gz PBSVBVLICXSDGI-BXKDBHETSA-N 1 0 317.296 3.773 10 0 DHAERO CCCC[NH2+]C[C@@H](C)Oc1ccc(Br)cc1C ZINC000063062700 184269151 /nfs/dbraw/zinc/26/91/51/184269151.db2.gz WJPTXIUGYBHZNZ-GFCCVEGCSA-N 1 0 300.240 3.915 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCCC1(C)C ZINC000063065868 184269165 /nfs/dbraw/zinc/26/91/65/184269165.db2.gz WMESFNYDINAOLW-RISCZKNCSA-N 1 0 311.267 3.712 10 0 DHAERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCCC1(C)C ZINC000063065869 184269201 /nfs/dbraw/zinc/26/92/01/184269201.db2.gz WMESFNYDINAOLW-SMDDNHRTSA-N 1 0 311.267 3.712 10 0 DHAERO C[C@@H]([NH3+])[C@H]1CCCCN1[C@@H](C)c1ccccc1Br ZINC000063191270 184277130 /nfs/dbraw/zinc/27/71/30/184277130.db2.gz LDHNJLMFOFKPSQ-TYNCELHUSA-N 1 0 311.267 3.712 10 0 DHAERO FC(F)(F)c1cc(OC[C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000066346098 184403718 /nfs/dbraw/zinc/40/37/18/184403718.db2.gz ZLWSPNLYAFQQDI-JTQLQIEISA-N 1 0 313.241 3.855 10 0 DHAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(-c2ccccc2)cc1 ZINC000130778973 196109780 /nfs/dbraw/zinc/10/97/80/196109780.db2.gz AEPKUZNARPXXLS-HNNXBMFYSA-N 1 0 323.440 3.547 10 0 DHAERO FC(F)(F)C[C@@H](NCCC[NH+]1CCCC1)c1ccccc1 ZINC000037229647 331546184 /nfs/dbraw/zinc/54/61/84/331546184.db2.gz NIJPEYPEYISJNT-OAHLLOKOSA-N 1 0 300.368 3.756 10 0 DHAERO CCC[C@@H]([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1ccccn1 ZINC000180516504 331571225 /nfs/dbraw/zinc/57/12/25/331571225.db2.gz KZMHOMBWARJNAT-HUUCEWRRSA-N 1 0 321.465 3.816 10 0 DHAERO C[C@H]([NH2+][C@H]1CCc2sc(Br)cc21)[C@H]1CCCO1 ZINC000293812949 331981565 /nfs/dbraw/zinc/98/15/65/331981565.db2.gz RSUWBRGOVJNTQL-INTQDDNPSA-N 1 0 316.264 3.655 10 0 DHAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180977974 332171026 /nfs/dbraw/zinc/17/10/26/332171026.db2.gz YSFMATQWKWDWHH-HZMVEIRTSA-N 1 0 306.494 3.534 10 0 DHAERO C[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000040807448 332172009 /nfs/dbraw/zinc/17/20/09/332172009.db2.gz LOZXVHWKDIQKKE-MEBBXXQBSA-N 1 0 323.223 3.871 10 0 DHAERO CCC[C@H]([NH3+])C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000236845595 332206492 /nfs/dbraw/zinc/20/64/92/332206492.db2.gz FEOKCJHCTBQOND-ZDUSSCGKSA-N 1 0 317.260 3.515 10 0 DHAERO C[NH2+]CCCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000040856015 332207014 /nfs/dbraw/zinc/20/70/14/332207014.db2.gz CIMPQTZALMJCDC-UHFFFAOYSA-N 1 0 300.427 3.776 10 0 DHAERO C[C@@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)c1ccc(Cl)s1 ZINC000261787237 332319977 /nfs/dbraw/zinc/31/99/77/332319977.db2.gz QBSPWFMJRWBUPF-ZYHUDNBSSA-N 1 0 314.882 3.876 10 0 DHAERO C[C@@H](NCc1ccccc1OCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000562960556 332652506 /nfs/dbraw/zinc/65/25/06/332652506.db2.gz PLHNIUJZZSCKCR-IEBWSBKVSA-N 1 0 324.468 3.743 10 0 DHAERO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)COCc1ccccc1 ZINC000390511568 333288063 /nfs/dbraw/zinc/28/80/63/333288063.db2.gz ASMIUMUMZPBERY-CVEARBPZSA-N 1 0 301.405 3.952 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2Br)C1 ZINC000040502202 333353540 /nfs/dbraw/zinc/35/35/40/333353540.db2.gz NAEZHNYFWGEDGE-QWHCGFSZSA-N 1 0 311.267 3.584 10 0 DHAERO CCc1nc(C)c([C@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)s1 ZINC000188660636 333384651 /nfs/dbraw/zinc/38/46/51/333384651.db2.gz SWEDJYDTEQXDSI-SJCJKPOMSA-N 1 0 310.507 3.996 10 0 DHAERO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000021035905 333412880 /nfs/dbraw/zinc/41/28/80/333412880.db2.gz FIVAEGIGCQSPRI-IIMNLJJBSA-N 1 0 313.228 3.853 10 0 DHAERO CC1(C)CCc2ccccc2[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000186476850 335158374 /nfs/dbraw/zinc/15/83/74/335158374.db2.gz IVTWRIOVHLQJQK-GOSISDBHSA-N 1 0 308.425 3.589 10 0 DHAERO CCC[C@@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1ccsc1 ZINC000187777407 334272962 /nfs/dbraw/zinc/27/29/62/334272962.db2.gz PVWKNPPWEZINOJ-HUUCEWRRSA-N 1 0 318.490 3.909 10 0 DHAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000303202609 334304369 /nfs/dbraw/zinc/30/43/69/334304369.db2.gz FNVMPKZWHJJIDW-DMKPSLHHSA-N 1 0 311.425 3.687 10 0 DHAERO CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049129436 334314889 /nfs/dbraw/zinc/31/48/89/334314889.db2.gz IZKVVBLBHDEOAQ-QWRGUYRKSA-N 1 0 302.871 3.603 10 0 DHAERO C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(Cl)s1 ZINC000049129557 334315099 /nfs/dbraw/zinc/31/50/99/334315099.db2.gz QMJPECOSYYMRJR-VIFPVBQESA-N 1 0 312.797 3.830 10 0 DHAERO Cc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)s2)c1 ZINC000049129606 334315307 /nfs/dbraw/zinc/31/53/07/334315307.db2.gz VSPIHXZVFNGIPO-LLVKDONJSA-N 1 0 308.834 3.999 10 0 DHAERO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049129545 334315316 /nfs/dbraw/zinc/31/53/16/334315316.db2.gz HZLVIYXCVPRDGU-JTQLQIEISA-N 1 0 324.833 3.699 10 0 DHAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cccc(OC)c1 ZINC000127061734 334874267 /nfs/dbraw/zinc/87/42/67/334874267.db2.gz OHRTXMLPISKETC-CQSZACIVSA-N 1 0 309.413 3.916 10 0 DHAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cn2)cc1 ZINC000102686438 335930108 /nfs/dbraw/zinc/93/01/08/335930108.db2.gz WGSZEPPYBKTMKO-GFCCVEGCSA-N 1 0 317.820 3.587 10 0 DHAERO COC(=O)C1CCC([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000192446068 336032866 /nfs/dbraw/zinc/03/28/66/336032866.db2.gz CVGXRCSITFCKDO-SEVFCGSRSA-N 1 0 301.430 3.946 10 0 DHAERO C(c1noc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1)C1CCCCC1 ZINC000333463236 336204040 /nfs/dbraw/zinc/20/40/40/336204040.db2.gz QANISJFMJGZUNN-INIZCTEOSA-N 1 0 319.449 3.508 10 0 DHAERO Cc1cccc2c(N[C@H]3CCN(c4ncccc4F)C3)cc[nH+]c12 ZINC000301675361 336322766 /nfs/dbraw/zinc/32/27/66/336322766.db2.gz PONLWJITFADDAM-AWEZNQCLSA-N 1 0 322.387 3.768 10 0 DHAERO Cc1cc(NCCc2nncn2C(C)C)c2cccc(F)c2n1 ZINC000301696803 336324172 /nfs/dbraw/zinc/32/41/72/336324172.db2.gz ZEBQMVKDVNOCQG-UHFFFAOYSA-N 1 0 313.380 3.509 10 0 DHAERO CCc1c(C)[nH+]c2ccccc2c1NCCc1cnn(C)c1C ZINC000302037698 336344692 /nfs/dbraw/zinc/34/46/92/336344692.db2.gz MNDQBLCEJQRZIP-UHFFFAOYSA-N 1 0 308.429 3.802 10 0 DHAERO C[C@H](Nc1cc[nH+]cc1C(N)=O)c1cc2cc(Cl)ccc2o1 ZINC000302203283 336353792 /nfs/dbraw/zinc/35/37/92/336353792.db2.gz BXCIJNSPDLKJAX-VIFPVBQESA-N 1 0 315.760 3.753 10 0 DHAERO CCC1(CC)CN(c2cc(C)[nH+]c3ccccc32)CC[S@]1=O ZINC000302215880 336354347 /nfs/dbraw/zinc/35/43/47/336354347.db2.gz HYVYKPGGYZDVNN-JOCHJYFZSA-N 1 0 316.470 3.671 10 0 DHAERO CC(C)C[N@@H+]1CC[C@@H](CNc2ccnc3c(F)cc(F)cc23)C1 ZINC000302394326 336358121 /nfs/dbraw/zinc/35/81/21/336358121.db2.gz DRUFASNXBALSLB-ZDUSSCGKSA-N 1 0 319.399 3.903 10 0 DHAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000105437390 336387480 /nfs/dbraw/zinc/38/74/80/336387480.db2.gz MJFKRQLUGDJMCX-BLLLJJGKSA-N 1 0 302.805 3.812 10 0 DHAERO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2C)sc1C ZINC000119224083 336883201 /nfs/dbraw/zinc/88/32/01/336883201.db2.gz ZXFRUFPNHMSUKI-STQMWFEESA-N 1 0 317.458 3.746 10 0 DHAERO COCc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000122758717 337023346 /nfs/dbraw/zinc/02/33/46/337023346.db2.gz CNZGFIPRGKWMTP-GOSISDBHSA-N 1 0 313.445 3.520 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnc(C2CCCC2)s1 ZINC000123384618 337045481 /nfs/dbraw/zinc/04/54/81/337045481.db2.gz SVPMEPSSKMADPI-HNNXBMFYSA-N 1 0 307.507 3.717 10 0 DHAERO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 ZINC000123413858 337048046 /nfs/dbraw/zinc/04/80/46/337048046.db2.gz SZJGSNSGBURNIU-HOTGVXAUSA-N 1 0 322.518 3.558 10 0 DHAERO CCOCCN1CC[N@H+](CC[C@@H](C)c2ccccc2)C[C@H]1CC ZINC000193900793 337079946 /nfs/dbraw/zinc/07/99/46/337079946.db2.gz DRXDNJKLVFDZRD-UYAOXDASSA-N 1 0 318.505 3.613 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000171521348 337087821 /nfs/dbraw/zinc/08/78/21/337087821.db2.gz CAYQSLAZDUWRQV-WMLDXEAASA-N 1 0 301.409 3.983 10 0 DHAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(Cl)cc2cccnc21 ZINC000172081441 337089720 /nfs/dbraw/zinc/08/97/20/337089720.db2.gz QHOOSLLVLYSFGJ-CXAGYDPISA-N 1 0 315.848 3.557 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1SC(C)C ZINC000177017956 337152839 /nfs/dbraw/zinc/15/28/39/337152839.db2.gz UNYMAGWMFFJMJJ-OAHLLOKOSA-N 1 0 320.502 3.743 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCSc1ccccc1F ZINC000178321939 337163899 /nfs/dbraw/zinc/16/38/99/337163899.db2.gz XQTZVRMSADHEIX-HNNXBMFYSA-N 1 0 319.449 3.587 10 0 DHAERO CCn1cc([C@H](C)N[C@H](c2ccccc2)c2cccnc2)cn1 ZINC000178610988 337165376 /nfs/dbraw/zinc/16/53/76/337165376.db2.gz YFLSHHDMLCURCI-HNAYVOBHSA-N 1 0 306.413 3.738 10 0 DHAERO COCc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)c1 ZINC000179206064 337168186 /nfs/dbraw/zinc/16/81/86/337168186.db2.gz RYOHCJRPSDBEQF-QGZVFWFLSA-N 1 0 316.470 3.978 10 0 DHAERO Cn1cc([C@@H]2CC[N@H+](C/C=C/c3ccc(Cl)cc3)C2)cn1 ZINC000179806587 337171838 /nfs/dbraw/zinc/17/18/38/337171838.db2.gz NQAVGRZUFARLMO-XYBNCVKDSA-N 1 0 301.821 3.576 10 0 DHAERO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000180533064 337176156 /nfs/dbraw/zinc/17/61/56/337176156.db2.gz YFZJSGOWJBXTHQ-WBVHZDCISA-N 1 0 312.461 3.684 10 0 DHAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1ccc(Cl)s1)CC2 ZINC000180617252 337176693 /nfs/dbraw/zinc/17/66/93/337176693.db2.gz ZYSJVYIWXQSVLN-GHMZBOCLSA-N 1 0 324.881 3.611 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1ccc(C)cc1 ZINC000180648113 337176864 /nfs/dbraw/zinc/17/68/64/337176864.db2.gz NMAOEGKTPNHTTJ-IRXDYDNUSA-N 1 0 312.461 3.766 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CC[C@H](C)c3ccccc31)CC2 ZINC000180647348 337176872 /nfs/dbraw/zinc/17/68/72/337176872.db2.gz SYUCYCKTVGDEDP-DAYGRLMNSA-N 1 0 324.472 3.945 10 0 DHAERO c1nc2n(n1)C[C@H]([NH2+][C@H](c1ccccc1)C1CCCCC1)CC2 ZINC000183318994 337192933 /nfs/dbraw/zinc/19/29/33/337192933.db2.gz KRTBPBCYDXFVPB-IEBWSBKVSA-N 1 0 310.445 3.504 10 0 DHAERO CCCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186073147 337253313 /nfs/dbraw/zinc/25/33/13/337253313.db2.gz YXAUJXHTPGGYQJ-HNNXBMFYSA-N 1 0 320.234 3.718 10 0 DHAERO CC(C)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186073005 337253407 /nfs/dbraw/zinc/25/34/07/337253407.db2.gz BPQXCJCMPQHMKI-HNNXBMFYSA-N 1 0 320.234 3.574 10 0 DHAERO Cc1nc2n(n1)CCC[C@@H]2N[C@H]1CCCc2c(C)ccc(C)c21 ZINC000186219868 337254830 /nfs/dbraw/zinc/25/48/30/337254830.db2.gz VZBZERTXMDAVMX-IRXDYDNUSA-N 1 0 310.445 3.705 10 0 DHAERO OC[C@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1c1ccsc1 ZINC000188069253 337270267 /nfs/dbraw/zinc/27/02/67/337270267.db2.gz VUBWXBSLOFXRHO-CABCVRRESA-N 1 0 307.846 3.609 10 0 DHAERO CCN(C)c1ccc(C[NH2+][C@H]2CCCc3cc(F)ccc32)cn1 ZINC000191529777 337298917 /nfs/dbraw/zinc/29/89/17/337298917.db2.gz YCJCSOPDWQWRTB-SFHVURJKSA-N 1 0 313.420 3.844 10 0 DHAERO C[NH+](C)CCc1ccc2c(c1)-c1cnnc3c1C(=CCC3)C=C2 ZINC000584596894 337374386 /nfs/dbraw/zinc/37/43/86/337374386.db2.gz PAJHFMLGLZGWGQ-UHFFFAOYSA-N 1 0 303.409 3.604 10 0 DHAERO [NH3+]Cc1sccc1-c1ccc2ncc(-c3cccs3)n2n1 ZINC000584656514 337377932 /nfs/dbraw/zinc/37/79/32/337377932.db2.gz YTCZCLYYPFXSIA-UHFFFAOYSA-N 1 0 312.423 3.645 10 0 DHAERO CC[C@H](c1ccccc1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106083351 337386947 /nfs/dbraw/zinc/38/69/47/337386947.db2.gz PFPPREGECBPWTH-GOSISDBHSA-N 1 0 310.445 3.529 10 0 DHAERO CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]1c1ccco1 ZINC000116211104 337392500 /nfs/dbraw/zinc/39/25/00/337392500.db2.gz KXVYOBJRRDPYGC-INIZCTEOSA-N 1 0 306.450 3.845 10 0 DHAERO CC(C)[C@](C)(C[NH3+])NCc1ccc(Br)cc1Cl ZINC000336718837 337398399 /nfs/dbraw/zinc/39/83/99/337398399.db2.gz VLLRQGNIHXFNOT-ZDUSSCGKSA-N 1 0 319.674 3.566 10 0 DHAERO CC[C@H]([NH2+][C@@H](CO)CC(C)C)c1ccc(Br)cc1 ZINC000040774124 337398818 /nfs/dbraw/zinc/39/88/18/337398818.db2.gz UWOFHJJFCBUDIH-CABCVRRESA-N 1 0 314.267 3.897 10 0 DHAERO Cc1cnn(CC[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)c1 ZINC000124022569 337403240 /nfs/dbraw/zinc/40/32/40/337403240.db2.gz ODYOXOYZRWFSAV-INIZCTEOSA-N 1 0 319.836 3.657 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](C)c2ccccc2)C12CCOCC2 ZINC000248982722 337569109 /nfs/dbraw/zinc/56/91/09/337569109.db2.gz JFMFFAKNKQTFQI-OGWHTMIXSA-N 1 0 317.473 3.742 10 0 DHAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249190398 337570033 /nfs/dbraw/zinc/57/00/33/337570033.db2.gz NOKWZBKCDVPZOR-LNLFQRSKSA-N 1 0 310.445 3.521 10 0 DHAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cc(Cl)ccc1Cl ZINC000261815064 337610981 /nfs/dbraw/zinc/61/09/81/337610981.db2.gz SCTOBIOLAWWVPI-CKYFFXLPSA-N 1 0 315.244 3.546 10 0 DHAERO C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000261930912 337612730 /nfs/dbraw/zinc/61/27/30/337612730.db2.gz BIAOQRRFSQJSDO-NURSFMCSSA-N 1 0 315.244 3.688 10 0 DHAERO COC[C@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)C1CC1 ZINC000090460980 337881338 /nfs/dbraw/zinc/88/13/38/337881338.db2.gz XBOBRJQYOQJVCR-SJORKVTESA-N 1 0 301.430 3.838 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(Br)s1 ZINC000153738232 338229478 /nfs/dbraw/zinc/22/94/78/338229478.db2.gz DXLLIUKBXNIHKD-HBNTYKKESA-N 1 0 318.280 3.712 10 0 DHAERO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000165292096 339052895 /nfs/dbraw/zinc/05/28/95/339052895.db2.gz OOTQZUBTIOPAMQ-SNVBAGLBSA-N 1 0 317.260 3.936 10 0 DHAERO O[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000300415927 340225419 /nfs/dbraw/zinc/22/54/19/340225419.db2.gz ZLBGALHIJSKDTC-KNXALSJPSA-N 1 0 324.262 3.577 10 0 DHAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccccc1I ZINC000308856294 340237268 /nfs/dbraw/zinc/23/72/68/340237268.db2.gz PZNNYLOLKRCRCI-GHMZBOCLSA-N 1 0 317.214 3.986 10 0 DHAERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cncc(C)c2)cc1OC ZINC000184305895 340491951 /nfs/dbraw/zinc/49/19/51/340491951.db2.gz ONMJSUNUCXIOPN-ZIAGYGMSSA-N 1 0 300.402 3.819 10 0 DHAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2C)C12CCOCC2 ZINC000185672802 340504188 /nfs/dbraw/zinc/50/41/88/340504188.db2.gz CVXLPOORXWRFGX-MOPGFXCFSA-N 1 0 317.473 3.676 10 0 DHAERO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000190024809 340542051 /nfs/dbraw/zinc/54/20/51/340542051.db2.gz NBXCPALMYDKQJJ-YJBOKZPZSA-N 1 0 317.477 3.608 10 0 DHAERO COc1ccc([C@@H](C)[NH2+]CCn2cc(C)cn2)c2ccccc12 ZINC000123906289 340796018 /nfs/dbraw/zinc/79/60/18/340796018.db2.gz XLMREVPSRNCAST-OAHLLOKOSA-N 1 0 309.413 3.704 10 0 DHAERO C[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccc(Cl)s1 ZINC000130194975 341006061 /nfs/dbraw/zinc/00/60/61/341006061.db2.gz ZWQWLXKYBGQGLE-LLVKDONJSA-N 1 0 320.845 3.641 10 0 DHAERO COCCCCC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134827650 341224781 /nfs/dbraw/zinc/22/47/81/341224781.db2.gz BMZQSYCMAOAGBH-KRWDZBQOSA-N 1 0 307.409 3.680 10 0 DHAERO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@H](O)COC(C)(C)C)c1 ZINC000134872253 341225688 /nfs/dbraw/zinc/22/56/88/341225688.db2.gz ROAUCUPZOZMJNJ-FUHWJXTLSA-N 1 0 305.462 3.616 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3C)C2)no1 ZINC000136182540 341254551 /nfs/dbraw/zinc/25/45/51/341254551.db2.gz IAGRBVUXJJILNX-AWEZNQCLSA-N 1 0 319.836 3.795 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000245428434 341293128 /nfs/dbraw/zinc/29/31/28/341293128.db2.gz XFXVJHWOZKIYGD-CJNGLKHVSA-N 1 0 323.868 3.527 10 0 DHAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(Cl)ccc1C ZINC000245439004 341294133 /nfs/dbraw/zinc/29/41/33/341294133.db2.gz ZACCWSFDUXRQDI-GJZGRUSLSA-N 1 0 321.852 3.739 10 0 DHAERO c1cncc(-c2cccc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)c2)c1 ZINC000245541757 341300837 /nfs/dbraw/zinc/30/08/37/341300837.db2.gz OTVMBXYVKPGXSC-WOJBJXKFSA-N 1 0 308.425 3.892 10 0 DHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000246012842 341322046 /nfs/dbraw/zinc/32/20/46/341322046.db2.gz SBQRWHLOMNKFLW-YOKBYHGQSA-N 1 0 307.409 3.833 10 0 DHAERO C[C@H](c1ccc2ccccc2c1)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246335194 341342580 /nfs/dbraw/zinc/34/25/80/341342580.db2.gz DWPKFFDOUULOCJ-CBGDNZLLSA-N 1 0 324.468 3.553 10 0 DHAERO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246439478 341348863 /nfs/dbraw/zinc/34/88/63/341348863.db2.gz OLLZUNTUBGNYTN-VGWMRTNUSA-N 1 0 310.507 3.534 10 0 DHAERO Cn1cc([C@H]2CCC[N@@H+]2[C@H]2CCc3c2cccc3Cl)cn1 ZINC000246632291 341354888 /nfs/dbraw/zinc/35/48/88/341354888.db2.gz JCWZMUUPISLIQQ-SJORKVTESA-N 1 0 301.821 3.898 10 0 DHAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@H](C)C1 ZINC000248531249 341379209 /nfs/dbraw/zinc/37/92/09/341379209.db2.gz FFGJNVMHNBKHOA-VQHPVUNQSA-N 1 0 308.510 3.638 10 0 DHAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)[C@@H](C)C1 ZINC000248531247 341379219 /nfs/dbraw/zinc/37/92/19/341379219.db2.gz FFGJNVMHNBKHOA-NXOAAHMSSA-N 1 0 308.510 3.638 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@@H+](CC[C@H](C)c3ccccc3)C2)no1 ZINC000248997117 341391568 /nfs/dbraw/zinc/39/15/68/341391568.db2.gz PIMJUPHOARZAMK-RDJZCZTQSA-N 1 0 313.445 3.826 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](CC)c2ccccc2)C12CCOCC2 ZINC000249004885 341391675 /nfs/dbraw/zinc/39/16/75/341391675.db2.gz NSIOVBRKSWJCLH-YTQUADARSA-N 1 0 317.473 3.744 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](CC)c2ccccc2)C12CCOCC2 ZINC000249004868 341391715 /nfs/dbraw/zinc/39/17/15/341391715.db2.gz NSIOVBRKSWJCLH-BHIYHBOVSA-N 1 0 317.473 3.744 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C)cc(C)c2)C12CCOCC2 ZINC000249020098 341392225 /nfs/dbraw/zinc/39/22/25/341392225.db2.gz QLJNXLITMDZVOL-BHIYHBOVSA-N 1 0 317.473 3.928 10 0 DHAERO C[C@H](NC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000249109503 341394097 /nfs/dbraw/zinc/39/40/97/341394097.db2.gz LVVXKNBQADECGB-TWOQFEAHSA-N 1 0 322.452 3.993 10 0 DHAERO C[C@@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)[C@@H](C[NH3+])C1 ZINC000262498934 341523184 /nfs/dbraw/zinc/52/31/84/341523184.db2.gz LSNGQHHJBCYYFQ-IUODEOHRSA-N 1 0 319.836 3.554 10 0 DHAERO COc1ccccc1C[C@@H]([NH2+]CCCC(C)(C)CO)C(C)C ZINC000163276717 341653852 /nfs/dbraw/zinc/65/38/52/341653852.db2.gz PDKQPKXFHAWMRM-QGZVFWFLSA-N 1 0 307.478 3.651 10 0 DHAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000379744541 518147621 /nfs/dbraw/zinc/14/76/21/518147621.db2.gz QNYHXUFRHRQTTG-MJGOQNOKSA-N 1 0 324.468 3.929 10 0 DHAERO CC(C)c1nc(NC[C@H]2CCC[NH2+]C2)cc(-c2ccccc2)n1 ZINC000070456364 519865686 /nfs/dbraw/zinc/86/56/86/519865686.db2.gz ZBSMKMDEJMVJFY-HNNXBMFYSA-N 1 0 310.445 3.679 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc3c(c1)CCC3)CC2 ZINC000180515979 519897215 /nfs/dbraw/zinc/89/72/15/519897215.db2.gz YCJITTJBQZWDPN-RDTXWAMCSA-N 1 0 324.472 3.556 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1cc3ccccc3o1)CC2 ZINC000180506128 519897630 /nfs/dbraw/zinc/89/76/30/519897630.db2.gz KVBXCFDOOFFKEN-DZGCQCFKSA-N 1 0 324.428 3.813 10 0 DHAERO CCOC(=O)C1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000237161002 520553650 /nfs/dbraw/zinc/55/36/50/520553650.db2.gz KDVJQTSFBAHKQB-LKSINWNRSA-N 1 0 311.372 3.737 10 0 DHAERO CC[NH+](CC)CCCNc1nc(-c2ccc(Cl)cc2)no1 ZINC000057354133 520623669 /nfs/dbraw/zinc/62/36/69/520623669.db2.gz JELIXAAQIJJHBZ-UHFFFAOYSA-N 1 0 308.813 3.534 10 0 DHAERO CCC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccc2C)C1 ZINC000180777878 521137737 /nfs/dbraw/zinc/13/77/37/521137737.db2.gz VMJSIPNPVWBERK-NQIIRXRSSA-N 1 0 322.452 3.685 10 0 DHAERO CCCC[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000246195123 521226516 /nfs/dbraw/zinc/22/65/16/521226516.db2.gz DNRLERXKRCFQEQ-NUJGCVRESA-N 1 0 318.461 3.560 10 0 DHAERO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3ccc(C)o3)ccc2o1 ZINC000182584800 521918334 /nfs/dbraw/zinc/91/83/34/521918334.db2.gz HETFJCSPKMGZJV-LBPRGKRZSA-N 1 0 313.353 3.972 10 0 DHAERO CCc1csc([C@H]2CCC[N@H+](Cc3c(C)noc3C)C2)n1 ZINC000157042737 522116959 /nfs/dbraw/zinc/11/69/59/522116959.db2.gz QHWAHHXUQUOOTR-ZDUSSCGKSA-N 1 0 305.447 3.690 10 0 DHAERO CCc1csc([C@H]2CCC[N@H+](CCc3ccncc3)C2)n1 ZINC000157816588 522118467 /nfs/dbraw/zinc/11/84/67/522118467.db2.gz GBNDDCNBAHSVKD-HNNXBMFYSA-N 1 0 301.459 3.523 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1F ZINC000181090765 522724178 /nfs/dbraw/zinc/72/41/78/522724178.db2.gz NBFYSCYWDYRDBK-CJNGLKHVSA-N 1 0 316.424 3.596 10 0 DHAERO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000237000789 523295073 /nfs/dbraw/zinc/29/50/73/523295073.db2.gz UQMPBYMDIKLCJE-ZDUSSCGKSA-N 1 0 319.412 3.783 10 0 DHAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000180522455 524027016 /nfs/dbraw/zinc/02/70/16/524027016.db2.gz HRHORUQTPOCEOV-OLZOCXBDSA-N 1 0 318.490 3.691 10 0 DHAERO CCc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)CC(F)(F)F)o1 ZINC000189391750 524035711 /nfs/dbraw/zinc/03/57/11/524035711.db2.gz WYTMEOIFDLQKJX-YPMHNXCESA-N 1 0 305.340 3.682 10 0 DHAERO C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)[C@H](C)[NH3+] ZINC000156825005 524280616 /nfs/dbraw/zinc/28/06/16/524280616.db2.gz RULNBOHAPUAUQF-OLZOCXBDSA-N 1 0 300.427 3.760 10 0 DHAERO COc1ccc2cc(N3CCC4(CC[NH2+]CC4)CC3)ccc2c1 ZINC000090548383 525634625 /nfs/dbraw/zinc/63/46/25/525634625.db2.gz LPRLCYNYVOSEQG-UHFFFAOYSA-N 1 0 310.441 3.818 10 0 DHAERO Cc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(C(C)C)n2)cc1 ZINC000070456204 525818409 /nfs/dbraw/zinc/81/84/09/525818409.db2.gz NFJKJZCEFPVJNJ-INIZCTEOSA-N 1 0 324.472 3.987 10 0 DHAERO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000246172316 525865046 /nfs/dbraw/zinc/86/50/46/525865046.db2.gz BHXCQYAZJGHHDY-BVBHFADKSA-N 1 0 314.473 3.812 10 0 DHAERO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)c1 ZINC000157797173 525940070 /nfs/dbraw/zinc/94/00/70/525940070.db2.gz ADBJZWCFOLBRBG-OAHLLOKOSA-N 1 0 302.443 3.840 10 0 DHAERO O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156991214 526499819 /nfs/dbraw/zinc/49/98/19/526499819.db2.gz WODPBQFZOSCWCN-IPMKNSEASA-N 1 0 318.505 3.680 10 0 DHAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000237874216 527349484 /nfs/dbraw/zinc/34/94/84/527349484.db2.gz HXNASIHJDOEYCG-AQNXPRMDSA-N 1 0 322.452 3.604 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000180129879 527440095 /nfs/dbraw/zinc/44/00/95/527440095.db2.gz OAIBYXFAYMYYGQ-HNNXBMFYSA-N 1 0 307.800 3.649 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cnc(CC(C)C)s1 ZINC000180133854 527441779 /nfs/dbraw/zinc/44/17/79/527441779.db2.gz OUBZGXJNPWCGBG-HNNXBMFYSA-N 1 0 318.490 3.511 10 0 DHAERO Cc1ccc(F)c([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675054292 563861768 /nfs/dbraw/zinc/86/17/68/563861768.db2.gz MSJHDHLGDHJAQE-WFASDCNBSA-N 1 0 308.397 3.533 10 0 DHAERO Cc1ccc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1Cl ZINC000675055799 563909892 /nfs/dbraw/zinc/90/98/92/563909892.db2.gz YIXPAEGJGMDTFJ-HIFRSBDPSA-N 1 0 324.852 3.966 10 0 DHAERO Fc1ccc(CC[NH2+]Cc2cccc(Oc3ncccn3)c2)cc1 ZINC000013731624 563388018 /nfs/dbraw/zinc/38/80/18/563388018.db2.gz HIPNCNZNXXLWAX-UHFFFAOYSA-N 1 0 323.371 3.740 10 0 DHAERO [NH3+][C@@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000050329928 563468393 /nfs/dbraw/zinc/46/83/93/563468393.db2.gz GLNACDVDBRUSGA-SNVBAGLBSA-N 1 0 309.232 3.909 10 0 DHAERO CCC(CC)C[C@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000068591307 563494922 /nfs/dbraw/zinc/49/49/22/563494922.db2.gz MXBWNMKGTJGIHS-MRXNPFEDSA-N 1 0 312.498 3.953 10 0 DHAERO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068593169 563495826 /nfs/dbraw/zinc/49/58/26/563495826.db2.gz SUMRNPXVOUVXAY-BFYDXBDKSA-N 1 0 318.461 3.810 10 0 DHAERO CCCc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])cc1 ZINC000071790693 563501589 /nfs/dbraw/zinc/50/15/89/563501589.db2.gz ZETHJCQAEHOFJN-IRXDYDNUSA-N 1 0 318.461 3.691 10 0 DHAERO CC(C)(C)C[C@H]1C[NH2+][C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000725255637 563558667 /nfs/dbraw/zinc/55/86/67/563558667.db2.gz GQHGIPYVCOLGKP-KDOFPFPSSA-N 1 0 310.482 3.802 10 0 DHAERO COCC[NH2+]Cc1ccccc1OCc1cccc(Cl)c1 ZINC000032204214 563768952 /nfs/dbraw/zinc/76/89/52/563768952.db2.gz KIZXWCWZMMNNOU-UHFFFAOYSA-N 1 0 305.805 3.655 10 0 DHAERO Cc1ccc(F)cc1[C@@H]1C[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675052486 563780534 /nfs/dbraw/zinc/78/05/34/563780534.db2.gz AOSAJJZXDKSXQT-ZFWWWQNUSA-N 1 0 308.397 3.533 10 0 DHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000675053111 563856446 /nfs/dbraw/zinc/85/64/46/563856446.db2.gz FXKIEBFNZXYEMU-KBPBESRZSA-N 1 0 310.825 3.658 10 0 DHAERO Cc1ccccc1[C@]1(C)C[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675053140 563856713 /nfs/dbraw/zinc/85/67/13/563856713.db2.gz GLEXJAAQHVSCDO-KSSFIOAISA-N 1 0 304.434 3.568 10 0 DHAERO Cc1ccc(C)c([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675054219 563861916 /nfs/dbraw/zinc/86/19/16/563861916.db2.gz MNYWEZGKLSXKSV-GDBMZVCRSA-N 1 0 304.434 3.703 10 0 DHAERO Cc1ccc(C)c([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675055665 563909873 /nfs/dbraw/zinc/90/98/73/563909873.db2.gz WEZVYCNLXYHQTN-GDBMZVCRSA-N 1 0 304.434 3.621 10 0 DHAERO CCCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1C ZINC000092788490 1032510087 /nfs/dbraw/zinc/51/00/87/1032510087.db2.gz ATSGFPIIVNHWFI-OAHLLOKOSA-N 1 0 318.490 3.746 10 0 DHAERO O[C@@H](c1ccc(Br)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000083165706 185215612 /nfs/dbraw/zinc/21/56/12/185215612.db2.gz GVCWWKLEICUGLP-BDJLRTHQSA-N 1 0 320.230 3.635 10 0 DHAERO COc1ncc(-c2ccc(C[NH+](C)C)cc2)c2c(O)cccc12 ZINC000090555766 185303174 /nfs/dbraw/zinc/30/31/74/185303174.db2.gz LXCFMSJKQOPFBL-UHFFFAOYSA-N 1 0 308.381 3.678 10 0 DHAERO CCn1cc(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)cn1 ZINC000092809395 185342879 /nfs/dbraw/zinc/34/28/79/185342879.db2.gz IFNPFTBMTIADPN-UHFFFAOYSA-N 1 0 308.429 3.764 10 0 DHAERO C[C@H]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000235632643 201918272 /nfs/dbraw/zinc/91/82/72/201918272.db2.gz GTUJKHZFMYBTKA-ONGXEEELSA-N 1 0 316.232 3.585 10 0 DHAERO Cc1nc(-c2cccc(Cl)c2)nc(N[C@H]2CCC[NH2+]C2)c1C ZINC000070456558 190896797 /nfs/dbraw/zinc/89/67/97/190896797.db2.gz GBCBBYVJIPLPCY-HNNXBMFYSA-N 1 0 316.836 3.578 10 0 DHAERO C[NH+]1CCC(N(C(=O)c2ccc(C(C)(C)C)cc2)C2CC2)CC1 ZINC000001502057 180869984 /nfs/dbraw/zinc/86/99/84/180869984.db2.gz BREOVWXZKXTMQB-UHFFFAOYSA-N 1 0 314.473 3.683 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000236816026 202023392 /nfs/dbraw/zinc/02/33/92/202023392.db2.gz QDHYBXYYWSJHKV-LLVKDONJSA-N 1 0 309.822 3.529 10 0 DHAERO O[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000075558118 191490257 /nfs/dbraw/zinc/49/02/57/191490257.db2.gz FXQGPHXSRKHQMO-HXUWFJFHSA-N 1 0 321.424 3.509 10 0 DHAERO CCC[C@@H]1[C@H](CC(=O)NC(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000005469700 181247347 /nfs/dbraw/zinc/24/73/47/181247347.db2.gz FDZLZLAFLPFOSA-ZWKOTPCHSA-N 1 0 302.462 3.592 10 0 DHAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000236912297 202067427 /nfs/dbraw/zinc/06/74/27/202067427.db2.gz XUIHVKLOOMOGMX-BLLLJJGKSA-N 1 0 315.442 3.545 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000236951081 202089862 /nfs/dbraw/zinc/08/98/62/202089862.db2.gz QGCAALZBNBEDAI-AWEZNQCLSA-N 1 0 310.825 3.727 10 0 DHAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2ccccc2c1 ZINC000091984119 193135878 /nfs/dbraw/zinc/13/58/78/193135878.db2.gz CPTHXYDGFURXEX-RDTXWAMCSA-N 1 0 309.413 3.540 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@]([NH3+])(c2cccc(Cl)c2)C1 ZINC000261508910 203073109 /nfs/dbraw/zinc/07/31/09/203073109.db2.gz YELKNYSWUAYJGD-MRXNPFEDSA-N 1 0 310.825 3.525 10 0 DHAERO C[NH2+]Cc1ccc(OC)cc1OCc1c(F)cccc1Cl ZINC000019777402 182147770 /nfs/dbraw/zinc/14/77/70/182147770.db2.gz SKHXFSVSZQCPTB-UHFFFAOYSA-N 1 0 309.768 3.786 10 0 DHAERO C[NH2+]Cc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000019777230 182147912 /nfs/dbraw/zinc/14/79/12/182147912.db2.gz CWAQLUODRUPWTG-UHFFFAOYSA-N 1 0 324.193 3.887 10 0 DHAERO CC[C@@H]([NH2+][C@H]1CN2CCC1CC2)c1ccc(Br)cc1 ZINC000019947453 182169224 /nfs/dbraw/zinc/16/92/24/182169224.db2.gz RUHVSCLBJAZRHO-CVEARBPZSA-N 1 0 323.278 3.584 10 0 DHAERO [NH3+][C@@H](Cc1ccc(Br)cc1)c1cc(F)ccc1F ZINC000019969445 182171390 /nfs/dbraw/zinc/17/13/90/182171390.db2.gz YBKSIULQUFPXSX-AWEZNQCLSA-N 1 0 312.157 3.970 10 0 DHAERO COc1ccc(OC)c([C@@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000019967564 182171785 /nfs/dbraw/zinc/17/17/85/182171785.db2.gz MKVJMMJOECWAMR-HNNXBMFYSA-N 1 0 322.202 3.514 10 0 DHAERO COc1ccc(OC)c([C@@H]([NH3+])c2cccc(Br)c2)c1 ZINC000019967652 182171857 /nfs/dbraw/zinc/17/18/57/182171857.db2.gz HFZUCAFLDZJETN-HNNXBMFYSA-N 1 0 322.202 3.514 10 0 DHAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(Cl)cc2Cl)C1 ZINC000019991353 182174705 /nfs/dbraw/zinc/17/47/05/182174705.db2.gz UKSQTLKFPMAVKV-RWSFTLGLSA-N 1 0 301.261 3.971 10 0 DHAERO [NH3+]C[C@H](c1ccc(Br)s1)N1CCCCCCC1 ZINC000020265369 182200785 /nfs/dbraw/zinc/20/07/85/182200785.db2.gz BPXWSFYIJCEJEH-LLVKDONJSA-N 1 0 317.296 3.777 10 0 DHAERO CCCOc1ccc(C[NH2+]CC(C)C)cc1Br ZINC000020925942 182254149 /nfs/dbraw/zinc/25/41/49/182254149.db2.gz DZPSRQXGHALNQE-UHFFFAOYSA-N 1 0 300.240 3.984 10 0 DHAERO CCCOc1c(Cl)cc(C[NH2+][C@@H](CC)CO)cc1Cl ZINC000020926304 182254346 /nfs/dbraw/zinc/25/43/46/182254346.db2.gz QXQOXSLSQLTLNV-NSHDSACASA-N 1 0 306.233 3.643 10 0 DHAERO CCCOc1c(Cl)cc(C[NH2+]C(C)(C)CO)cc1Cl ZINC000020926255 182254355 /nfs/dbraw/zinc/25/43/55/182254355.db2.gz ZAHYZNGKQBACPW-UHFFFAOYSA-N 1 0 306.233 3.643 10 0 DHAERO CCCOc1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000020928913 182254368 /nfs/dbraw/zinc/25/43/68/182254368.db2.gz RRAXLRWRYXAMMS-QGZVFWFLSA-N 1 0 319.832 3.952 10 0 DHAERO CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1Cl ZINC000020925596 182254462 /nfs/dbraw/zinc/25/44/62/182254462.db2.gz ATSMLJXEPSDZPM-QGZVFWFLSA-N 1 0 319.832 3.952 10 0 DHAERO Cc1ccc(COc2ccccc2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000020873604 182250879 /nfs/dbraw/zinc/25/08/79/182250879.db2.gz AMWRCESCQQAPKY-LJQANCHMSA-N 1 0 311.425 3.843 10 0 DHAERO Fc1ccc([C@@H](CCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000022864211 182338373 /nfs/dbraw/zinc/33/83/73/182338373.db2.gz IVBRMABBDOJLRU-FQEVSTJZSA-N 1 0 312.432 3.643 10 0 DHAERO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000023430268 182360756 /nfs/dbraw/zinc/36/07/56/182360756.db2.gz FMAUIMHXRDEVCQ-MRXNPFEDSA-N 1 0 318.461 3.639 10 0 DHAERO O[C@H](c1ccnc2c(Cl)cc(Cl)cc12)[C@@H]1CCCC[NH2+]1 ZINC000027523262 182475131 /nfs/dbraw/zinc/47/51/31/182475131.db2.gz VHIDLFMQUGZQQI-DZGCQCFKSA-N 1 0 311.212 3.717 10 0 DHAERO [NH3+]CCOC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000034164507 182730741 /nfs/dbraw/zinc/73/07/41/182730741.db2.gz TXLIAXQCAUHQEE-UHFFFAOYSA-N 1 0 303.405 3.954 10 0 DHAERO CC[C@H](O)C[NH+](Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000036031926 182793880 /nfs/dbraw/zinc/79/38/80/182793880.db2.gz DWLJEYLXXKFXPL-SFHVURJKSA-N 1 0 305.368 3.738 10 0 DHAERO C[NH2+][C@@H](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000037534285 182905003 /nfs/dbraw/zinc/90/50/03/182905003.db2.gz ZDWKGWGAZUORKI-INIZCTEOSA-N 1 0 304.231 3.822 10 0 DHAERO [NH3+]Cc1ccc(OCCOc2ccc(Cl)c(Cl)c2)cc1 ZINC000038001385 182957758 /nfs/dbraw/zinc/95/77/58/182957758.db2.gz YPVBPYLQPGIXTB-UHFFFAOYSA-N 1 0 312.196 3.910 10 0 DHAERO Cc1cccc(C(=O)OCC(C)(C)[NH3+])c1-c1cccc2c1NCC2 ZINC000039027440 183014294 /nfs/dbraw/zinc/01/42/94/183014294.db2.gz ZKLFOFQWKVVKKF-UHFFFAOYSA-N 1 0 324.424 3.524 10 0 DHAERO CC(C)(C)NNc1[nH+]cnc(Oc2cccc3ccccc32)c1N ZINC000040683359 183117038 /nfs/dbraw/zinc/11/70/38/183117038.db2.gz LTCCIAHSNHGWIT-UHFFFAOYSA-N 1 0 323.400 3.719 10 0 DHAERO O=C(C[NH2+]Cc1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000040827815 183138041 /nfs/dbraw/zinc/13/80/41/183138041.db2.gz VTUKIYAFZQALNE-UHFFFAOYSA-N 1 0 309.196 3.722 10 0 DHAERO [NH3+]C[C@@H](Cc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000041541257 183200145 /nfs/dbraw/zinc/20/01/45/183200145.db2.gz JDBNFQMBKBGFHM-CYBMUJFWSA-N 1 0 308.194 3.873 10 0 DHAERO [NH3+]C[C@H](Cc1ccccc1F)c1cccc(Br)c1 ZINC000041541260 183200275 /nfs/dbraw/zinc/20/02/75/183200275.db2.gz ASOHSDWIHUEFSD-ZDUSSCGKSA-N 1 0 308.194 3.873 10 0 DHAERO CC(C)[N@H+](CCC(N)=S)Cc1c(Cl)cccc1Cl ZINC000042529386 183280819 /nfs/dbraw/zinc/28/08/19/183280819.db2.gz RRIMQXBHLZVDNL-UHFFFAOYSA-N 1 0 305.274 3.880 10 0 DHAERO CC(C)CN(C(C)C)[C@H](C[NH3+])c1ccccc1Br ZINC000042579781 183287155 /nfs/dbraw/zinc/28/71/55/183287155.db2.gz RBWMYTWRQCXSFZ-OAHLLOKOSA-N 1 0 313.283 3.815 10 0 DHAERO CC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCO2)C(C)C ZINC000042585679 183287586 /nfs/dbraw/zinc/28/75/86/183287586.db2.gz OIAJLFOOOKYBDY-GFCCVEGCSA-N 1 0 314.223 3.702 10 0 DHAERO CC[C@@H]([NH2+]Cc1cc(Br)ccc1OC)C(C)C ZINC000042585505 183287928 /nfs/dbraw/zinc/28/79/28/183287928.db2.gz KLFTWCLKVZTXNP-CYBMUJFWSA-N 1 0 300.240 3.982 10 0 DHAERO C[C@H](C[NH+]1CCCC1)N[C@@H](C)c1ccccc1Br ZINC000042597529 183289728 /nfs/dbraw/zinc/28/97/28/183289728.db2.gz JERUTYQBGQDATQ-OLZOCXBDSA-N 1 0 311.267 3.584 10 0 DHAERO C[C@H](CN1CCCC1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000042597305 183289884 /nfs/dbraw/zinc/28/98/84/183289884.db2.gz VNMNZPXISAUVLZ-OLZOCXBDSA-N 1 0 311.267 3.584 10 0 DHAERO C[C@H]1CCCC[C@@H]1N(C)c1cc(Br)ccc1C[NH3+] ZINC000042609454 183290540 /nfs/dbraw/zinc/29/05/40/183290540.db2.gz NDBNARXJSAAAOY-FZMZJTMJSA-N 1 0 311.267 3.923 10 0 DHAERO CCCN(CC(F)(F)F)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000042745716 183304455 /nfs/dbraw/zinc/30/44/55/183304455.db2.gz APURADUCAGJWCH-MRVPVSSYSA-N 1 0 300.777 3.676 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCCC[C@@H]1C ZINC000042951798 183321025 /nfs/dbraw/zinc/32/10/25/183321025.db2.gz WNMFJLCHOABDMG-YWPYICTPSA-N 1 0 311.267 3.712 10 0 DHAERO CC[C@H](N)[C@H](c1cccc(Br)c1)[N@H+](CC)C(C)C ZINC000043020325 183328538 /nfs/dbraw/zinc/32/85/38/183328538.db2.gz BARSZRFBCOGEMA-GJZGRUSLSA-N 1 0 313.283 3.958 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CC)C1CC1 ZINC000043020296 183328613 /nfs/dbraw/zinc/32/86/13/183328613.db2.gz DMKBRCXWHYYRSK-LSDHHAIUSA-N 1 0 311.267 3.712 10 0 DHAERO CCCCCN(C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020409 183329182 /nfs/dbraw/zinc/32/91/82/183329182.db2.gz AQVFMVRUUGPJDD-DOMZBBRYSA-N 1 0 313.283 3.959 10 0 DHAERO Cc1ccc(O[C@H](C[NH3+])c2ccccc2Br)cc1 ZINC000043094502 183336713 /nfs/dbraw/zinc/33/67/13/183336713.db2.gz DTHBYKZEXNSTJI-OAHLLOKOSA-N 1 0 306.203 3.836 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1cccs1)N(C)Cc1ccc(Cl)s1 ZINC000043105592 183337975 /nfs/dbraw/zinc/33/79/75/183337975.db2.gz LJTLNDQQMGGXEX-NOZJJQNGSA-N 1 0 300.880 3.983 10 0 DHAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)CC1CC1 ZINC000043092424 183335547 /nfs/dbraw/zinc/33/55/47/183335547.db2.gz VHXOUCZLRBVCDU-CABCVRRESA-N 1 0 311.267 3.569 10 0 DHAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)Cc1ccoc1 ZINC000043092641 183335797 /nfs/dbraw/zinc/33/57/97/183335797.db2.gz NYMWYFDTMLXEEC-XHDPSFHLSA-N 1 0 323.234 3.562 10 0 DHAERO CCCN([C@H](c1ccccc1Br)[C@@H](C)[NH3+])C1CC1 ZINC000043091306 183336079 /nfs/dbraw/zinc/33/60/79/183336079.db2.gz KHOQIQXASQXPTN-ABAIWWIYSA-N 1 0 311.267 3.712 10 0 DHAERO CCCN(C(C)C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091294 183336266 /nfs/dbraw/zinc/33/62/66/183336266.db2.gz VVBWCFINVNYSRH-DOMZBBRYSA-N 1 0 313.283 3.958 10 0 DHAERO CC[C@H](C)[C@@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000049596124 183745460 /nfs/dbraw/zinc/74/54/60/183745460.db2.gz MEHWCMPBUJNBAA-NWDGAFQWSA-N 1 0 300.240 3.852 10 0 DHAERO C[NH2+][C@H]1CCCC[C@H]1CCOc1cccc(Br)c1 ZINC000049597138 183745689 /nfs/dbraw/zinc/74/56/89/183745689.db2.gz TVBMWOMHIDTYSG-WFASDCNBSA-N 1 0 312.251 3.996 10 0 DHAERO CC(C)(C)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000053010068 183883552 /nfs/dbraw/zinc/88/35/52/183883552.db2.gz RSPSSYDTTWJBTJ-GFCCVEGCSA-N 1 0 311.267 3.664 10 0 DHAERO CC[NH2+][C@H](Cc1ccc(Br)cc1F)c1ccncc1 ZINC000053822438 183913533 /nfs/dbraw/zinc/91/35/33/183913533.db2.gz HSDKKHONWSVGPD-OAHLLOKOSA-N 1 0 323.209 3.877 10 0 DHAERO COCC[NH2+]C[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl ZINC000053567922 183906715 /nfs/dbraw/zinc/90/67/15/183906715.db2.gz JJJABPGREQJHSJ-QMMMGPOBSA-N 1 0 312.624 3.650 10 0 DHAERO CC[C@@H](C)C[N@H+](C)CC[C@H](O)c1cccc(Br)c1 ZINC000053972745 183918234 /nfs/dbraw/zinc/91/82/34/183918234.db2.gz FXEQRCDXSRSDJJ-DOMZBBRYSA-N 1 0 314.267 3.851 10 0 DHAERO CCC[NH2+][C@H](c1cc(Cl)sc1Cl)[C@H]1COCCO1 ZINC000055300706 183977917 /nfs/dbraw/zinc/97/79/17/183977917.db2.gz FVADCQLNYMPDEW-MWLCHTKSSA-N 1 0 310.246 3.511 10 0 DHAERO Cc1ccc([C@H](C[NH3+])Nc2ccc(Br)cc2)cc1 ZINC000057634076 184043227 /nfs/dbraw/zinc/04/32/27/184043227.db2.gz QLQISHSZDQIEPX-HNNXBMFYSA-N 1 0 305.219 3.869 10 0 DHAERO O=C1N(c2ccc(Oc3ccccc3)cc2)CC[C@@]12CCC[NH2+]C2 ZINC000059711531 184140069 /nfs/dbraw/zinc/14/00/69/184140069.db2.gz LASCVADFEKYUHE-HXUWFJFHSA-N 1 0 322.408 3.585 10 0 DHAERO C[NH2+][C@@H](Cc1ccc(Br)cc1F)c1ncccc1C ZINC000060700811 184154486 /nfs/dbraw/zinc/15/44/86/184154486.db2.gz COXANZACBDMIOZ-AWEZNQCLSA-N 1 0 323.209 3.795 10 0 DHAERO CCC[NH2+][C@H](CCCOC)c1ccccc1Br ZINC000060700175 184154584 /nfs/dbraw/zinc/15/45/84/184154584.db2.gz KJXXKIKTXDWOJQ-CQSZACIVSA-N 1 0 300.240 3.916 10 0 DHAERO NNc1ccc(Cl)c(COc2c(Cl)cccc2Cl)[nH+]1 ZINC000061639425 184180206 /nfs/dbraw/zinc/18/02/06/184180206.db2.gz YFORZYTZDGMNFA-UHFFFAOYSA-N 1 0 318.591 3.906 10 0 DHAERO CC(C)c1ccn(-c2ccc([C@@H](C)[NH3+])cc2Br)n1 ZINC000061698593 184183880 /nfs/dbraw/zinc/18/38/80/184183880.db2.gz GHKOCZSYMMAZQG-SNVBAGLBSA-N 1 0 308.223 3.778 10 0 DHAERO CCOC(=O)C[C@@H](C)C[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000061830353 184188939 /nfs/dbraw/zinc/18/89/39/184188939.db2.gz DOSPCWDYBRYVGO-TVQRCGJNSA-N 1 0 304.217 3.973 10 0 DHAERO Cc1cc(Br)cn2c(N)c(Cc3ccccc3)[nH+]c12 ZINC000062431830 184235955 /nfs/dbraw/zinc/23/59/55/184235955.db2.gz YBQFUOPYLCTGLI-UHFFFAOYSA-N 1 0 316.202 3.578 10 0 DHAERO CC(C)C[NH2+]Cc1cc(Br)ccc1OCC1CC1 ZINC000062729990 184250530 /nfs/dbraw/zinc/25/05/30/184250530.db2.gz HENAEHBSZKRXDY-UHFFFAOYSA-N 1 0 312.251 3.984 10 0 DHAERO CC[C@]1(C(=O)Nc2cc(Cl)ccc2Cl)CCC[NH2+]C1 ZINC000062851886 184256615 /nfs/dbraw/zinc/25/66/15/184256615.db2.gz BRJDXIOORWCYIZ-AWEZNQCLSA-N 1 0 301.217 3.712 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2cc(F)ccc2C)c(Br)c1 ZINC000062665410 184247355 /nfs/dbraw/zinc/24/73/55/184247355.db2.gz UMYZGBUWXAGNSV-OAHLLOKOSA-N 1 0 324.193 3.953 10 0 DHAERO COc1ccc([C@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)cc1F ZINC000120437676 132141942 /nfs/dbraw/zinc/14/19/42/132141942.db2.gz WRIQXZNJLONFCH-KBXCAEBGSA-N 1 0 316.420 3.788 10 0 DHAERO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)CC(C)(C)C1 ZINC000121362393 132155342 /nfs/dbraw/zinc/15/53/42/132155342.db2.gz ZPAPJXBIVKNGSO-DOTOQJQBSA-N 1 0 301.478 3.855 10 0 DHAERO CC[NH2+]Cc1ccccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000036281654 331514078 /nfs/dbraw/zinc/51/40/78/331514078.db2.gz FWBFLYCEJBKMQO-UHFFFAOYSA-N 1 0 302.805 3.631 10 0 DHAERO CC[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1cccc(Cl)c1 ZINC000037007278 331532129 /nfs/dbraw/zinc/53/21/29/331532129.db2.gz FAOXHPFFUKVEQK-MRXNPFEDSA-N 1 0 302.805 3.680 10 0 DHAERO O=C(CC[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000261751993 331959975 /nfs/dbraw/zinc/95/99/75/331959975.db2.gz TZDZWOQGCGLAJQ-JKSUJKDBSA-N 1 0 306.837 3.536 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCc2sc(Br)cc21)[C@H]1CCCO1 ZINC000293812960 331981495 /nfs/dbraw/zinc/98/14/95/331981495.db2.gz RSUWBRGOVJNTQL-JMJZKYOTSA-N 1 0 316.264 3.655 10 0 DHAERO [NH3+]C[C@H](NC(=O)c1csc2ccccc12)C1CCCCC1 ZINC000127344123 332001411 /nfs/dbraw/zinc/00/14/11/332001411.db2.gz NAPOEUVMQOIYRG-HNNXBMFYSA-N 1 0 302.443 3.539 10 0 DHAERO CC(C)(C)C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000261766941 332021206 /nfs/dbraw/zinc/02/12/06/332021206.db2.gz OCDJEOGZDNJFAX-ZACQAIPSSA-N 1 0 302.462 3.655 10 0 DHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nc(C(C)C)nn3C1)[C@H](C)C2 ZINC000180858209 332139846 /nfs/dbraw/zinc/13/98/46/332139846.db2.gz MRSYEDVTBOVPGY-IDHHARJASA-N 1 0 324.472 3.548 10 0 DHAERO C[C@@H](Oc1cccc(Cl)c1)c1nc(C2([NH3+])CCCCC2)no1 ZINC000261822013 332437124 /nfs/dbraw/zinc/43/71/24/332437124.db2.gz AUGUCKQYCIWMTK-LLVKDONJSA-N 1 0 321.808 3.981 10 0 DHAERO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000261639593 332483519 /nfs/dbraw/zinc/48/35/19/332483519.db2.gz CGNPDWFIXRUACY-PWSUYJOCSA-N 1 0 315.244 3.703 10 0 DHAERO COCCC[C@@H](C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000178523963 333015139 /nfs/dbraw/zinc/01/51/39/333015139.db2.gz ODXFPKJDBAHOSX-VXGBXAGGSA-N 1 0 300.240 3.915 10 0 DHAERO FC(F)Oc1ccccc1-c1csc(C2CC[NH2+]CC2)n1 ZINC000053252385 333048664 /nfs/dbraw/zinc/04/86/64/333048664.db2.gz LCEWEMFGJZRZNU-UHFFFAOYSA-N 1 0 310.369 3.879 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)CC2 ZINC000171981356 333056972 /nfs/dbraw/zinc/05/69/72/333056972.db2.gz CIQKSSDKIGIMFG-STQMWFEESA-N 1 0 318.852 3.721 10 0 DHAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)c1cccnc1 ZINC000112537082 333093925 /nfs/dbraw/zinc/09/39/25/333093925.db2.gz HEWSEAVALFVYKB-XLIONFOSSA-N 1 0 309.457 3.787 10 0 DHAERO COC(=O)c1ccc(F)c(CN[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000182104570 333149538 /nfs/dbraw/zinc/14/95/38/333149538.db2.gz BMMUCIJPGZBKTI-JTQLQIEISA-N 1 0 323.314 3.741 10 0 DHAERO CCN1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000040502776 333353497 /nfs/dbraw/zinc/35/34/97/333353497.db2.gz DATLFURVQFQCHG-CYBMUJFWSA-N 1 0 318.795 3.515 10 0 DHAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049129449 334314868 /nfs/dbraw/zinc/31/48/68/334314868.db2.gz KBKIYJXJBIMWHP-UWVGGRQHSA-N 1 0 302.871 3.745 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)NC1CCCCC1 ZINC000049129487 334315040 /nfs/dbraw/zinc/31/50/40/334315040.db2.gz KSEVGVZHQDSHCE-WDEREUQCSA-N 1 0 314.882 3.890 10 0 DHAERO Cc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049129612 334315298 /nfs/dbraw/zinc/31/52/98/334315298.db2.gz GSSAAUDDPNWNHF-LLVKDONJSA-N 1 0 308.834 3.999 10 0 DHAERO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000122965663 334724870 /nfs/dbraw/zinc/72/48/70/334724870.db2.gz FQRUTKBQTWRRSJ-GXTWGEPZSA-N 1 0 316.401 3.665 10 0 DHAERO CCc1cc(N2CCC(c3ccnn3C)CC2)c2ccccc2[nH+]1 ZINC000124403647 334758451 /nfs/dbraw/zinc/75/84/51/334758451.db2.gz GSVYIFDJMRERGS-UHFFFAOYSA-N 1 0 320.440 3.915 10 0 DHAERO CC(C)(C)[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000162442048 334907723 /nfs/dbraw/zinc/90/77/23/334907723.db2.gz ULAVZCHLPSVLHI-DETPVDSQSA-N 1 0 324.415 3.686 10 0 DHAERO COc1cncc(C[NH2+][C@@H](C)c2cccc(Br)c2)c1 ZINC000343706313 335189286 /nfs/dbraw/zinc/18/92/86/335189286.db2.gz GNAUDCJMUIWFEN-NSHDSACASA-N 1 0 321.218 3.704 10 0 DHAERO Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c(Cl)c1 ZINC000191158203 335624584 /nfs/dbraw/zinc/62/45/84/335624584.db2.gz PIZGZNZPZIIFJH-QGZVFWFLSA-N 1 0 316.832 3.681 10 0 DHAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000395255607 336077926 /nfs/dbraw/zinc/07/79/26/336077926.db2.gz YCVSRLHGVAVQAV-JBLDHEPKSA-N 1 0 315.244 3.559 10 0 DHAERO COC(=O)CCC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000037416923 336239452 /nfs/dbraw/zinc/23/94/52/336239452.db2.gz FOYKJYLODRDZTR-MRVPVSSYSA-N 1 0 308.180 3.736 10 0 DHAERO C[C@H]([NH2+]CCC(C)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000379180799 336258684 /nfs/dbraw/zinc/25/86/84/336258684.db2.gz PAJATNUZYKEWGP-QWHCGFSZSA-N 1 0 320.424 3.657 10 0 DHAERO Cc1ccc([C@@H]([NH2+]CC(=O)NC(C)C)c2ccccc2)c(C)c1 ZINC000192864335 336275622 /nfs/dbraw/zinc/27/56/22/336275622.db2.gz XOAKZYIGWPVDEO-FQEVSTJZSA-N 1 0 310.441 3.507 10 0 DHAERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1F)c1cccc(Cl)c1 ZINC000192931342 336284715 /nfs/dbraw/zinc/28/47/15/336284715.db2.gz QCMQMORLJSRWPB-WFASDCNBSA-N 1 0 323.795 3.570 10 0 DHAERO CCC[N@@H+]1CCCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000301401451 336304598 /nfs/dbraw/zinc/30/45/98/336304598.db2.gz QILNVXQLKDOLSG-UHFFFAOYSA-N 1 0 303.837 3.810 10 0 DHAERO COC(=O)CCC1CCN(c2cc[nH+]c3c(C)cccc23)CC1 ZINC000301673646 336322553 /nfs/dbraw/zinc/32/25/53/336322553.db2.gz OYBSWPIXVPUIOP-UHFFFAOYSA-N 1 0 312.413 3.713 10 0 DHAERO C[NH+](C)[C@@H](CNc1ccc2c(Cl)ccnc2c1F)C1CC1 ZINC000301995944 336342025 /nfs/dbraw/zinc/34/20/25/336342025.db2.gz SQLXTESSLBYJQV-AWEZNQCLSA-N 1 0 307.800 3.779 10 0 DHAERO CCc1c(C)[nH+]c2ccccc2c1NCCC1(C)OCCO1 ZINC000302177459 336352579 /nfs/dbraw/zinc/35/25/79/336352579.db2.gz XUJVALJEWXOCIB-UHFFFAOYSA-N 1 0 300.402 3.671 10 0 DHAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000105437383 336387475 /nfs/dbraw/zinc/38/74/75/336387475.db2.gz MJFKRQLUGDJMCX-WBMJQRKESA-N 1 0 302.805 3.812 10 0 DHAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000193357514 336701467 /nfs/dbraw/zinc/70/14/67/336701467.db2.gz WUOUONCAHBZLGP-HNAYVOBHSA-N 1 0 301.430 3.668 10 0 DHAERO CC(=O)NC1CCC([NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000120058998 336895323 /nfs/dbraw/zinc/89/53/23/336895323.db2.gz AFNYJWMNMVKLTO-HARDYTLKSA-N 1 0 318.505 3.628 10 0 DHAERO [NH3+]C[C@H]1CCCN1CCSc1cc(Cl)ccc1Cl ZINC000123376871 337045423 /nfs/dbraw/zinc/04/54/23/337045423.db2.gz GBKFSXPVEQPNOL-LLVKDONJSA-N 1 0 305.274 3.509 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C)c(Cl)c1 ZINC000194042828 337081345 /nfs/dbraw/zinc/08/13/45/337081345.db2.gz SNWYJDIOWNCCHG-MRXNPFEDSA-N 1 0 303.837 3.818 10 0 DHAERO CCn1cnnc1C1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000171644048 337087005 /nfs/dbraw/zinc/08/70/05/337087005.db2.gz XSVCVSSWIVWNQY-ZDUSSCGKSA-N 1 0 318.852 3.892 10 0 DHAERO c1ncn([C@@H]2CCC[N@H+](C3c4ccccc4-c4ccccc43)C2)n1 ZINC000171704158 337088638 /nfs/dbraw/zinc/08/86/38/337088638.db2.gz FNQNVGFMCXPMTI-OAHLLOKOSA-N 1 0 316.408 3.685 10 0 DHAERO C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000172100946 337089764 /nfs/dbraw/zinc/08/97/64/337089764.db2.gz WMYCFUJAVLNIGB-MRXNPFEDSA-N 1 0 313.401 3.710 10 0 DHAERO CC[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccc(C)cc1 ZINC000176154769 337150673 /nfs/dbraw/zinc/15/06/73/337150673.db2.gz KGHAGWJCTMFKTJ-ROUUACIJSA-N 1 0 317.477 3.572 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)ccc1Cl ZINC000176974593 337154007 /nfs/dbraw/zinc/15/40/07/337154007.db2.gz OHVBADYFKNSDJW-GFCCVEGCSA-N 1 0 315.244 3.550 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000177357072 337155536 /nfs/dbraw/zinc/15/55/36/337155536.db2.gz UAYKMUIQHLMLKF-ZFWWWQNUSA-N 1 0 323.506 3.552 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000178285180 337161977 /nfs/dbraw/zinc/16/19/77/337161977.db2.gz OSHDZYMKNCQAMK-SFHVURJKSA-N 1 0 324.403 3.543 10 0 DHAERO CCCOc1cccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000180129809 337171563 /nfs/dbraw/zinc/17/15/63/337171563.db2.gz AYSSFFQKBIXWCC-SFHVURJKSA-N 1 0 313.445 3.645 10 0 DHAERO CCCOc1cccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000180129798 337171583 /nfs/dbraw/zinc/17/15/83/337171583.db2.gz AYSSFFQKBIXWCC-GOSISDBHSA-N 1 0 313.445 3.645 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc3ccccc3o1)CC2 ZINC000180645908 337176894 /nfs/dbraw/zinc/17/68/94/337176894.db2.gz JIWCLKICUSUSIT-UKRRQHHQSA-N 1 0 324.428 3.813 10 0 DHAERO C[C@H]1C[C@H](C(=O)Nc2cc(C[NH+](C)C)ccn2)CC(C)(C)C1 ZINC000180930487 337178735 /nfs/dbraw/zinc/17/87/35/337178735.db2.gz ZYXZQKFFBSCFOC-ZFWWWQNUSA-N 1 0 303.450 3.544 10 0 DHAERO Cn1cc([C@@H]2CC[N@H+](CC3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000185515369 337248774 /nfs/dbraw/zinc/24/87/74/337248774.db2.gz BKYWQTCGBARKEF-JVWICGRDSA-N 1 0 315.383 3.578 10 0 DHAERO CN1C(=O)CCc2cc(C[N@@H+]3CCC[C@@H]3c3ccco3)ccc21 ZINC000186966423 337261782 /nfs/dbraw/zinc/26/17/82/337261782.db2.gz PXVWVRZWEMVRGQ-QGZVFWFLSA-N 1 0 310.397 3.526 10 0 DHAERO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2C)cc1OC ZINC000187421127 337265784 /nfs/dbraw/zinc/26/57/84/337265784.db2.gz PVGAZIDIUGATDI-CYBMUJFWSA-N 1 0 300.402 3.566 10 0 DHAERO Cc1ccccc1[C@H](C)[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188056397 337270282 /nfs/dbraw/zinc/27/02/82/337270282.db2.gz YVVZGFNLUDAYOZ-LESCRADOSA-N 1 0 301.455 3.825 10 0 DHAERO Cc1cc(C)cc(C[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)c1 ZINC000188105200 337270922 /nfs/dbraw/zinc/27/09/22/337270922.db2.gz CKVAAXIQOODGJZ-MSOLQXFVSA-N 1 0 301.455 3.573 10 0 DHAERO CC[C@@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1cccc(F)c1 ZINC000188342493 337271942 /nfs/dbraw/zinc/27/19/42/337271942.db2.gz QCIYFGCNFSHVRZ-JKSUJKDBSA-N 1 0 316.424 3.596 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C12CCOCC2 ZINC000188725178 337274580 /nfs/dbraw/zinc/27/45/80/337274580.db2.gz JFSJMOUSGLWMLD-RTBURBONSA-N 1 0 315.457 3.628 10 0 DHAERO CC(C)c1csc([C@H]2CCC[N@H+](CCOCC(F)F)C2)n1 ZINC000189411037 337279728 /nfs/dbraw/zinc/27/97/28/337279728.db2.gz YPRLVDYFIKWRIN-LBPRGKRZSA-N 1 0 318.433 3.728 10 0 DHAERO CC(=O)N(CCCC[NH+](C(C)C)C(C)C)c1cc(C)cc(C)n1 ZINC000584591246 337373432 /nfs/dbraw/zinc/37/34/32/337373432.db2.gz YGGAHNRDSGDZLE-UHFFFAOYSA-N 1 0 319.493 3.950 10 0 DHAERO CC(C)C[C@]1(c2cccc(O[C@@H]3CCCCO3)c2)CC[NH2+]C1 ZINC000584650213 337380719 /nfs/dbraw/zinc/38/07/19/337380719.db2.gz PATGUNQKDRTKCQ-RTBURBONSA-N 1 0 303.446 3.869 10 0 DHAERO CC[C@H]([NH2+][C@@H](CO)CC(C)C)c1cccc(Br)c1 ZINC000040775961 337398815 /nfs/dbraw/zinc/39/88/15/337398815.db2.gz SNHQLVRYIDOLHK-CABCVRRESA-N 1 0 314.267 3.897 10 0 DHAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCSCC1 ZINC000133390664 337445174 /nfs/dbraw/zinc/44/51/74/337445174.db2.gz FLRDISMSKLIKFW-AWEZNQCLSA-N 1 0 312.276 3.922 10 0 DHAERO C[C@H](c1c(F)cccc1F)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504066 337467634 /nfs/dbraw/zinc/46/76/34/337467634.db2.gz IKDAQNXLOTWABN-GFCCVEGCSA-N 1 0 305.372 3.639 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(OC(F)F)cc1 ZINC000248069086 337562413 /nfs/dbraw/zinc/56/24/13/337562413.db2.gz MLIMNUIARKGLJM-BPUTZDHNSA-N 1 0 313.388 3.880 10 0 DHAERO C[C@H]([NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)c1nnc2n1CCCC2 ZINC000249200150 337570013 /nfs/dbraw/zinc/57/00/13/337570013.db2.gz SRROPRBJSNQAJY-VPWXQRGCSA-N 1 0 324.472 3.775 10 0 DHAERO C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000261710661 337608913 /nfs/dbraw/zinc/60/89/13/337608913.db2.gz JFMJRDKJUOSLOX-DXCKQFNASA-N 1 0 320.864 3.767 10 0 DHAERO Cc1cccc([C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C(C)(C)C)c1 ZINC000261868825 337611917 /nfs/dbraw/zinc/61/19/17/337611917.db2.gz XPVLBVCGTDPVCA-ZACQAIPSSA-N 1 0 302.462 3.573 10 0 DHAERO Cc1c(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])sc2cccc(F)c12 ZINC000261889864 337612075 /nfs/dbraw/zinc/61/20/75/337612075.db2.gz VDEMTFGTZHTQMN-JQWIXIFHSA-N 1 0 320.433 3.548 10 0 DHAERO CCC[C@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261909376 337612436 /nfs/dbraw/zinc/61/24/36/337612436.db2.gz SVGUFWCAKMJZSQ-IAGOWNOFSA-N 1 0 308.510 3.959 10 0 DHAERO CC1(C)CN(C(=O)c2ccccc2Nc2ccccc2)CC[C@@H]1[NH3+] ZINC000261931348 337612790 /nfs/dbraw/zinc/61/27/90/337612790.db2.gz WGVWUZFZITZGRM-SFHVURJKSA-N 1 0 323.440 3.630 10 0 DHAERO CC1(C)CN(C(=O)c2ccc(C3CCCCC3)cc2)CC[C@H]1[NH3+] ZINC000262045222 337614657 /nfs/dbraw/zinc/61/46/57/337614657.db2.gz QOWUPYLQKAVDQE-GOSISDBHSA-N 1 0 314.473 3.934 10 0 DHAERO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H](C)C[C@@H](C)O ZINC000122440152 337920696 /nfs/dbraw/zinc/92/06/96/337920696.db2.gz NRXSVQGGZRPOQO-GHJWDPDVSA-N 1 0 311.853 3.859 10 0 DHAERO Cc1cc(F)cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000152769192 338211508 /nfs/dbraw/zinc/21/15/08/338211508.db2.gz PNQZZEOKMRUKIG-KRWDZBQOSA-N 1 0 315.392 3.559 10 0 DHAERO C[C@H]1CC(C[NH2+]Cc2ccccc2Br)C[C@H](C)O1 ZINC000466425386 339204340 /nfs/dbraw/zinc/20/43/40/339204340.db2.gz KKONXDAUTDDWFY-RYUDHWBXSA-N 1 0 312.251 3.742 10 0 DHAERO C[C@@H]1CC(C[NH2+]C2CC(OCc3ccccc3)C2)C[C@@H](C)O1 ZINC000467435369 339238413 /nfs/dbraw/zinc/23/84/13/339238413.db2.gz XWWJUGSQUCYXAD-QAQJPARQSA-N 1 0 303.446 3.527 10 0 DHAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000300411615 340225318 /nfs/dbraw/zinc/22/53/18/340225318.db2.gz OPNQBLJKKMVQNB-MAZHCROVSA-N 1 0 324.262 3.577 10 0 DHAERO CCn1cc(C2CC[NH+](Cc3sccc3Cl)CC2)cn1 ZINC000194370885 340591717 /nfs/dbraw/zinc/59/17/17/340591717.db2.gz MGVUYUWWKWITLR-UHFFFAOYSA-N 1 0 309.866 3.998 10 0 DHAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000250214452 340612590 /nfs/dbraw/zinc/61/25/90/340612590.db2.gz NPOHOWHPYAQPIK-UHOFOFEASA-N 1 0 324.262 3.577 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000250383611 340613770 /nfs/dbraw/zinc/61/37/70/340613770.db2.gz XFWXPDYBTYOGIB-ZFWWWQNUSA-N 1 0 310.894 3.951 10 0 DHAERO CN(CC[N@@H+]1CCCC[C@@H]1c1nccs1)c1ccccc1 ZINC000131277079 341072415 /nfs/dbraw/zinc/07/24/15/341072415.db2.gz RCDBLJHCXVUMPZ-MRXNPFEDSA-N 1 0 301.459 3.807 10 0 DHAERO COCC[N@H+](Cc1ccccc1)Cc1ccc2ccccc2n1 ZINC000072822866 341107840 /nfs/dbraw/zinc/10/78/40/341107840.db2.gz CFJOOEQABGOMPC-UHFFFAOYSA-N 1 0 306.409 3.883 10 0 DHAERO C[C@@H]1CN(Cc2ccc(F)c(Br)c2)CCS1 ZINC000134342443 341213556 /nfs/dbraw/zinc/21/35/56/341213556.db2.gz VFRXHLCUYRPSIR-SECBINFHSA-N 1 0 304.228 3.526 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000245415603 341292254 /nfs/dbraw/zinc/29/22/54/341292254.db2.gz GPIZYPYPOXTNFG-CJNGLKHVSA-N 1 0 323.868 3.527 10 0 DHAERO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H](C)C[C@H](C)O ZINC000246296650 341340642 /nfs/dbraw/zinc/34/06/42/341340642.db2.gz NRXSVQGGZRPOQO-RBOXIYTFSA-N 1 0 311.853 3.859 10 0 DHAERO CC[C@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@@H](C)C1)C(C)C ZINC000246570480 341353825 /nfs/dbraw/zinc/35/38/25/341353825.db2.gz XYLXTAZCSXZLBP-HRCADAONSA-N 1 0 310.507 3.534 10 0 DHAERO CC(C)Sc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246737647 341356489 /nfs/dbraw/zinc/35/64/89/341356489.db2.gz AWLBYWQBYAGULC-WMLDXEAASA-N 1 0 320.502 3.646 10 0 DHAERO Cc1ccc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246766222 341356972 /nfs/dbraw/zinc/35/69/72/341356972.db2.gz QZQCPMNVOAEWDW-YJBOKZPZSA-N 1 0 303.352 3.581 10 0 DHAERO O[C@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](CCCc2ccccc2)C1 ZINC000246903469 341358430 /nfs/dbraw/zinc/35/84/30/341358430.db2.gz XUJYEZUXXFERCK-LPHOPBHVSA-N 1 0 317.379 3.705 10 0 DHAERO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247194149 341362065 /nfs/dbraw/zinc/36/20/65/341362065.db2.gz WTHNPSVDPKOKSL-ROUUACIJSA-N 1 0 301.409 3.946 10 0 DHAERO CC1(C)C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2O1 ZINC000247248646 341362763 /nfs/dbraw/zinc/36/27/63/341362763.db2.gz ZOGSRIBQMGJCKM-VYDXJSESSA-N 1 0 300.446 3.505 10 0 DHAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000247974894 341371940 /nfs/dbraw/zinc/37/19/40/341371940.db2.gz KNIFNUPUVOYNSM-JKSUJKDBSA-N 1 0 313.363 3.832 10 0 DHAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc(OCc2ccccc2)cc1 ZINC000261558445 341374546 /nfs/dbraw/zinc/37/45/46/341374546.db2.gz SKTOUCSCKMAYNV-QGZVFWFLSA-N 1 0 324.424 3.736 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)CCc1cccc(F)c1 ZINC000248385136 341376104 /nfs/dbraw/zinc/37/61/04/341376104.db2.gz HIWPJGJZCREIMI-BEFAXECRSA-N 1 0 315.436 3.816 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)CCc1cccc(F)c1 ZINC000248385137 341376164 /nfs/dbraw/zinc/37/61/64/341376164.db2.gz HIWPJGJZCREIMI-DNVCBOLYSA-N 1 0 315.436 3.816 10 0 DHAERO O[C@@]12CCCC[C@H]1C[N@H+](CCSCc1ccccc1)CC2 ZINC000248748581 341385836 /nfs/dbraw/zinc/38/58/36/341385836.db2.gz OBVKPLSFZNJSFB-ZWKOTPCHSA-N 1 0 305.487 3.547 10 0 DHAERO CC(C)C(=O)N1CCC([NH2+][C@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000248903943 341389932 /nfs/dbraw/zinc/38/99/32/341389932.db2.gz XARCYQHGUSWLTH-NJAFHUGGSA-N 1 0 308.510 3.684 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C)cc(C)c2)C12CCOCC2 ZINC000249020100 341392205 /nfs/dbraw/zinc/39/22/05/341392205.db2.gz QLJNXLITMDZVOL-NZSAHSFTSA-N 1 0 317.473 3.928 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)c2ccc(C)cc2)C12CCOCC2 ZINC000249034053 341392368 /nfs/dbraw/zinc/39/23/68/341392368.db2.gz TUTMKAVYYFJULA-QXAKKESOSA-N 1 0 317.473 3.662 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)C12CCOCC2 ZINC000249062404 341392980 /nfs/dbraw/zinc/39/29/80/341392980.db2.gz YSGNEMHJNQDRRR-BHIYHBOVSA-N 1 0 317.473 3.928 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(CC)cc2)C12CCOCC2 ZINC000249067486 341393123 /nfs/dbraw/zinc/39/31/23/341393123.db2.gz ZRALZEUIKOMUOP-KFKAGJAMSA-N 1 0 317.473 3.874 10 0 DHAERO C[C@@H]1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)[C@@H](C[NH3+])C1 ZINC000262565063 341524955 /nfs/dbraw/zinc/52/49/55/341524955.db2.gz WLKPDSRTZTXYQR-MLGOLLRUSA-N 1 0 319.836 3.554 10 0 DHAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000181918409 519733908 /nfs/dbraw/zinc/73/39/08/519733908.db2.gz OWRSZZVHLIGAFZ-UGSOOPFHSA-N 1 0 310.397 3.819 10 0 DHAERO CC(C)[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000159015032 519813114 /nfs/dbraw/zinc/81/31/14/519813114.db2.gz OHFDXCWRAYUNAA-ZDUSSCGKSA-N 1 0 308.853 3.579 10 0 DHAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000246672193 519839648 /nfs/dbraw/zinc/83/96/48/519839648.db2.gz FOYGGURSTZODNA-XUVXKRRUSA-N 1 0 322.452 3.730 10 0 DHAERO CC(C)n1ccnc1C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180650170 520029318 /nfs/dbraw/zinc/02/93/18/520029318.db2.gz PQYDFAQKYNTAJZ-HNNXBMFYSA-N 1 0 309.417 3.501 10 0 DHAERO CCC(=O)N1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccccc2C)C1 ZINC000180777716 521153086 /nfs/dbraw/zinc/15/30/86/521153086.db2.gz VMJSIPNPVWBERK-RXVVDRJESA-N 1 0 322.452 3.685 10 0 DHAERO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000154355155 521425789 /nfs/dbraw/zinc/42/57/89/521425789.db2.gz SKOFGKKPZJGPSO-LLVKDONJSA-N 1 0 316.367 3.648 10 0 DHAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000188132222 522513881 /nfs/dbraw/zinc/51/38/81/522513881.db2.gz SUKDSGJMKMAGKX-SQNIBIBYSA-N 1 0 324.472 3.676 10 0 DHAERO CC[C@@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1ccc(C)cc1 ZINC000180522244 522929586 /nfs/dbraw/zinc/92/95/86/522929586.db2.gz GGXHFBKQCQQSJO-IAGOWNOFSA-N 1 0 312.461 3.766 10 0 DHAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000236996180 523293479 /nfs/dbraw/zinc/29/34/79/523293479.db2.gz UQMPBYMDIKLCJE-CYBMUJFWSA-N 1 0 319.412 3.783 10 0 DHAERO CC[C@@](C)(O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000161705902 523663787 /nfs/dbraw/zinc/66/37/87/523663787.db2.gz KIFSIQCGOJOPJO-QGZVFWFLSA-N 1 0 322.836 3.822 10 0 DHAERO COc1ccc([C@H](C)C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000182623234 525296514 /nfs/dbraw/zinc/29/65/14/525296514.db2.gz SQPANUYPOFXHPQ-WBVHZDCISA-N 1 0 303.446 3.880 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)s1 ZINC000130259671 525554469 /nfs/dbraw/zinc/55/44/69/525554469.db2.gz WLHAFSNYFLJVJM-NWDGAFQWSA-N 1 0 322.865 3.511 10 0 DHAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(-c2ccccc2)c1 ZINC000180604644 525693337 /nfs/dbraw/zinc/69/33/37/525693337.db2.gz PEYDZAZKHZTGKC-BEFAXECRSA-N 1 0 318.424 3.611 10 0 DHAERO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238854048 525707135 /nfs/dbraw/zinc/70/71/35/525707135.db2.gz MIYNQZRSMKSJTR-YQQAZPJKSA-N 1 0 318.461 3.810 10 0 DHAERO Cc1ccc([C@@H](C)[NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)o1 ZINC000161937516 525724089 /nfs/dbraw/zinc/72/40/89/525724089.db2.gz UPJWALKDAJRABX-CQSZACIVSA-N 1 0 306.450 3.523 10 0 DHAERO Cc1cnc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)s1 ZINC000180523899 526020241 /nfs/dbraw/zinc/02/02/41/526020241.db2.gz CWFZYLFODLXSRG-HOTGVXAUSA-N 1 0 302.443 3.540 10 0 DHAERO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000246237260 526095076 /nfs/dbraw/zinc/09/50/76/526095076.db2.gz IJTKMNBEDCSQKA-FHLIZLRMSA-N 1 0 300.446 3.504 10 0 DHAERO C[C@H](c1ccccc1Cl)N(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000246250072 526108926 /nfs/dbraw/zinc/10/89/26/526108926.db2.gz JUNANLSKKCKFNK-MGPQQGTHSA-N 1 0 320.864 3.910 10 0 DHAERO C[C@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000157062484 526244142 /nfs/dbraw/zinc/24/41/42/526244142.db2.gz MHYOTTFMVAQKMS-IPYPFGDCSA-N 1 0 308.853 3.543 10 0 DHAERO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(C)nc4ccccc34)C2)c1 ZINC000124655847 526268063 /nfs/dbraw/zinc/26/80/63/526268063.db2.gz BBIROUYEZNNOMA-SFHVURJKSA-N 1 0 320.440 3.885 10 0 DHAERO Fc1ccc(CSc2nnc([C@@H]3CCC[NH2+]3)o2)c(Cl)c1 ZINC000040173825 526345106 /nfs/dbraw/zinc/34/51/06/526345106.db2.gz MFXDKEDBJROVIQ-NSHDSACASA-N 1 0 313.785 3.579 10 0 DHAERO Cc1nc2c(s1)[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)CCC2 ZINC000163851295 527112860 /nfs/dbraw/zinc/11/28/60/527112860.db2.gz QEJYWVKOAGVCPV-IAGOWNOFSA-N 1 0 315.486 3.721 10 0 DHAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC3CC3)cc2)cn1 ZINC000191322857 527299160 /nfs/dbraw/zinc/29/91/60/527299160.db2.gz ZTNCKUHGHQQJBH-IBGZPJMESA-N 1 0 311.429 3.546 10 0 DHAERO O[C@H](CCc1ccccc1)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000182299466 527682915 /nfs/dbraw/zinc/68/29/15/527682915.db2.gz RKIKBMIIKGRPOO-IAGOWNOFSA-N 1 0 316.470 3.664 10 0 DHAERO Cc1ccc([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1C ZINC000675052581 563780537 /nfs/dbraw/zinc/78/05/37/563780537.db2.gz BRMCYHPBBQISDI-CVEARBPZSA-N 1 0 304.434 3.703 10 0 DHAERO Cc1ccc([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c(C)c1 ZINC000675055520 563909937 /nfs/dbraw/zinc/90/99/37/563909937.db2.gz UXAZYMRDWDAJKZ-ZBFHGGJFSA-N 1 0 304.434 3.703 10 0 DHAERO Cc1ccc([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c(C)c1 ZINC000675055517 563909884 /nfs/dbraw/zinc/90/98/84/563909884.db2.gz UXAZYMRDWDAJKZ-GDBMZVCRSA-N 1 0 304.434 3.703 10 0 DHAERO Fc1ccc(C[NH2+]Cc2cccc(Oc3ncccn3)c2)cc1 ZINC000013731630 563388251 /nfs/dbraw/zinc/38/82/51/563388251.db2.gz JSQLYRSMMLMAMB-UHFFFAOYSA-N 1 0 309.344 3.698 10 0 DHAERO OCCCCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000013726908 563388310 /nfs/dbraw/zinc/38/83/10/563388310.db2.gz ULSDVXYJYMNATD-UHFFFAOYSA-N 1 0 317.404 3.657 10 0 DHAERO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000725242832 563525340 /nfs/dbraw/zinc/52/53/40/563525340.db2.gz WIGGZMBPPMPSKC-SUMWQHHRSA-N 1 0 324.490 3.658 10 0 DHAERO CC(C)(C)OC(=O)N[C@@H](CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000725271315 563576787 /nfs/dbraw/zinc/57/67/87/563576787.db2.gz CAQTUQLVFRWLKH-LBPRGKRZSA-N 1 0 318.339 3.620 10 0 DHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC000675053113 563856463 /nfs/dbraw/zinc/85/64/63/563856463.db2.gz FXKIEBFNZXYEMU-UONOGXRCSA-N 1 0 310.825 3.658 10 0 DHAERO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC000253388122 563884332 /nfs/dbraw/zinc/88/43/32/563884332.db2.gz YZUWHSJNFAERJI-SCAQPMJSSA-N 1 0 318.461 3.953 10 0 DHAERO CC(=O)N(C1CCC1)[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)CC1 ZINC000328632929 563929901 /nfs/dbraw/zinc/92/99/01/563929901.db2.gz LPAJUDSVQLGTHT-MJGOQNOKSA-N 1 0 304.478 3.598 10 0 DHAERO COc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c(OC)c1 ZINC000092788439 1032510641 /nfs/dbraw/zinc/51/06/41/1032510641.db2.gz CWBGLBKBGQFADV-AWEZNQCLSA-N 1 0 318.442 3.540 10 0 DHAERO CCN(Cc1ncc(-c2ccccc2Cl)o1)C[C@H]1CCCO1 ZINC000075676104 1030667835 /nfs/dbraw/zinc/66/78/35/1030667835.db2.gz TXAABKAERSRLAJ-CYBMUJFWSA-N 1 0 320.820 3.996 10 0 DHAERO CC[NH2+][C@@H](C)c1cc(Br)ccc1OCC(F)F ZINC000052067276 190681264 /nfs/dbraw/zinc/68/12/64/190681264.db2.gz MZYDVYBDLRWMEV-QMMMGPOBSA-N 1 0 308.166 3.764 10 0 DHAERO Fc1cccc(C[n+]2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000226307472 201774582 /nfs/dbraw/zinc/77/45/82/201774582.db2.gz RDIZDAPLEKEDMA-UHFFFAOYSA-N 1 0 305.332 3.970 10 0 DHAERO CCCCCC[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000070192525 190870618 /nfs/dbraw/zinc/87/06/18/190870618.db2.gz MBVDWQKUPQTUEA-UHFFFAOYSA-N 1 0 313.239 3.558 10 0 DHAERO Cc1ccc(-c2csc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)n2)cc1 ZINC000150692244 186057286 /nfs/dbraw/zinc/05/72/86/186057286.db2.gz OENRCUPSXHVPSO-UONOGXRCSA-N 1 0 315.442 3.575 10 0 DHAERO C[NH+]1CCC(OC(=O)Oc2ccccc2)(c2ccccc2)CC1 ZINC000001640536 180882357 /nfs/dbraw/zinc/88/23/57/180882357.db2.gz JAWVTCCRYNKTAD-UHFFFAOYSA-N 1 0 311.381 3.823 10 0 DHAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000073654423 191337263 /nfs/dbraw/zinc/33/72/63/191337263.db2.gz AJCLSGHYNBJLKO-WBVHZDCISA-N 1 0 318.461 3.764 10 0 DHAERO Clc1ccc(C[C@H]2COCC[C@@H]2[NH2+]C2CC2)c(Cl)c1 ZINC000095073879 193416629 /nfs/dbraw/zinc/41/66/29/193416629.db2.gz ZRPVZOFEQTWTAR-NHYWBVRUSA-N 1 0 300.229 3.693 10 0 DHAERO COc1ccc([C@H]2[C@H]([NH3+])c3ccc(OC)cc3OC2(C)C)cc1 ZINC000011849224 181710386 /nfs/dbraw/zinc/71/03/86/181710386.db2.gz CPWUSVLKXLMWDM-ZWKOTPCHSA-N 1 0 313.397 3.658 10 0 DHAERO CCCCN(CC)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000019396236 182120723 /nfs/dbraw/zinc/12/07/23/182120723.db2.gz XBYWZZFQOIUBGA-SNVBAGLBSA-N 1 0 305.285 3.632 10 0 DHAERO [NH3+]C[C@H](c1ccc(Br)s1)N1CCc2ccccc21 ZINC000019396503 182121746 /nfs/dbraw/zinc/12/17/46/182121746.db2.gz OTKBFHVDIWIJNQ-GFCCVEGCSA-N 1 0 323.259 3.573 10 0 DHAERO [NH3+]C[C@H](Oc1ccccc1Br)c1ccccc1F ZINC000019671681 182135388 /nfs/dbraw/zinc/13/53/88/182135388.db2.gz SXQJWERQUPZGAL-AWEZNQCLSA-N 1 0 310.166 3.667 10 0 DHAERO C[C@@H]([NH3+])c1ccccc1Sc1nnc(C2CC2)n1C1CC1 ZINC000019873927 182159155 /nfs/dbraw/zinc/15/91/55/182159155.db2.gz FMRCXOMHHBRCEC-SNVBAGLBSA-N 1 0 300.431 3.661 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccc(Br)cc1 ZINC000019947448 182169386 /nfs/dbraw/zinc/16/93/86/182169386.db2.gz RUHVSCLBJAZRHO-JKSUJKDBSA-N 1 0 323.278 3.584 10 0 DHAERO [NH3+][C@H](c1ccc(Br)cc1F)c1cc(F)ccc1F ZINC000019969552 182171852 /nfs/dbraw/zinc/17/18/52/182171852.db2.gz BJQBFBPTOYYJNE-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO COc1ccc([C@H]([NH3+])c2cc(F)ccc2Br)c(C)c1 ZINC000019972060 182172513 /nfs/dbraw/zinc/17/25/13/182172513.db2.gz NXFUQLZFTYIVTI-HNNXBMFYSA-N 1 0 324.193 3.953 10 0 DHAERO NC(=[NH2+])c1ccccc1Oc1ccc(F)cc1Br ZINC000020076752 182185178 /nfs/dbraw/zinc/18/51/78/182185178.db2.gz CIMHBBKMTZNWFW-UHFFFAOYSA-N 1 0 309.138 3.665 10 0 DHAERO Cc1ccccc1CN(C)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000020226270 182198940 /nfs/dbraw/zinc/19/89/40/182198940.db2.gz GJZRAVUHNHFZJZ-INIZCTEOSA-N 1 0 306.812 3.919 10 0 DHAERO CC(C)(C)[C@H]1CCc2c(sc3ncnc(NCCC[NH3+])c32)C1 ZINC000020323044 182206929 /nfs/dbraw/zinc/20/69/29/182206929.db2.gz ONGUUUFETYDXDM-NSHDSACASA-N 1 0 318.490 3.603 10 0 DHAERO [NH3+][C@H](Cc1nc2ccccc2s1)c1ccc(Br)o1 ZINC000020428179 182216611 /nfs/dbraw/zinc/21/66/11/182216611.db2.gz YKSHFYZDHBGJET-MRVPVSSYSA-N 1 0 323.215 3.894 10 0 DHAERO C[C@H](c1cc2cc(Br)ccc2o1)N1CCC([NH3+])CC1 ZINC000020521529 182226676 /nfs/dbraw/zinc/22/66/76/182226676.db2.gz KXLBKQGNMZXVPB-SNVBAGLBSA-N 1 0 323.234 3.679 10 0 DHAERO c1ccc(CCN2CC[NH+](C[C@H]3CC34CCCCC4)CC2)cc1 ZINC000020540312 182228884 /nfs/dbraw/zinc/22/88/84/182228884.db2.gz HKGGWIUGDTXQHX-HXUWFJFHSA-N 1 0 312.501 3.817 10 0 DHAERO CCCOc1ccc(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000020928919 182254371 /nfs/dbraw/zinc/25/43/71/182254371.db2.gz RRAXLRWRYXAMMS-KRWDZBQOSA-N 1 0 319.832 3.952 10 0 DHAERO Cc1ccc(COc2ccccc2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000020873601 182250929 /nfs/dbraw/zinc/25/09/29/182250929.db2.gz AMWRCESCQQAPKY-IBGZPJMESA-N 1 0 311.425 3.843 10 0 DHAERO Clc1ccc([C@H](c2ccccc2)N2CCC[NH2+]CC2)cc1 ZINC000022045968 182306222 /nfs/dbraw/zinc/30/62/22/182306222.db2.gz RMTYMEIZBKIWGP-SFHVURJKSA-N 1 0 300.833 3.725 10 0 DHAERO CCC[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)COCC(C)C ZINC000036100811 182800840 /nfs/dbraw/zinc/80/08/40/182800840.db2.gz MSIUNGMRHQVFHQ-LJQANCHMSA-N 1 0 307.478 3.549 10 0 DHAERO COc1ccccc1[C@@](C)([NH3+])Cc1cccc(Br)c1 ZINC000037531539 182904934 /nfs/dbraw/zinc/90/49/34/182904934.db2.gz BIHKLLDRLUSXBA-INIZCTEOSA-N 1 0 320.230 3.874 10 0 DHAERO CC(C)C[C@@H](C)[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000038003586 182959589 /nfs/dbraw/zinc/95/95/89/182959589.db2.gz UHILYAXSTSVCOO-LLVKDONJSA-N 1 0 302.340 3.712 10 0 DHAERO Cc1ccc(Nc2ncnc(Nc3cc[nH+]cc3)c2N)c(C)c1 ZINC000040687556 183117846 /nfs/dbraw/zinc/11/78/46/183117846.db2.gz AGCREVHPBUPQQG-UHFFFAOYSA-N 1 0 306.373 3.558 10 0 DHAERO CC[NH2+][C@H](C)c1cnn(-c2ccc(Br)cc2)c1C ZINC000040932734 183148972 /nfs/dbraw/zinc/14/89/72/183148972.db2.gz HJLDMKRTYNLHIR-SNVBAGLBSA-N 1 0 308.223 3.614 10 0 DHAERO [NH3+]C[C@H](Cc1cccc(Br)c1)c1ccc(F)cc1 ZINC000041541248 183200643 /nfs/dbraw/zinc/20/06/43/183200643.db2.gz DVHNPTSOSURLQS-ZDUSSCGKSA-N 1 0 308.194 3.873 10 0 DHAERO COc1ccc(Cl)cc1C[C@@H](C[NH3+])Cc1cccc(F)c1 ZINC000041540966 183200838 /nfs/dbraw/zinc/20/08/38/183200838.db2.gz XHNOTHSPYOYZLN-ZDUSSCGKSA-N 1 0 307.796 3.848 10 0 DHAERO CCCCCCOc1c(Br)cccc1CC[NH3+] ZINC000042412697 183266041 /nfs/dbraw/zinc/26/60/41/183266041.db2.gz TXJDUWJXORXGSM-UHFFFAOYSA-N 1 0 300.240 3.909 10 0 DHAERO C[C@@H]1CCC[C@@H](N(C)c2cc(Br)ccc2C[NH3+])C1 ZINC000042493956 183276846 /nfs/dbraw/zinc/27/68/46/183276846.db2.gz HZHCRKKBWDLSGQ-BXUZGUMPSA-N 1 0 311.267 3.923 10 0 DHAERO CN(Cc1cc(Br)cs1)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042400263 183264012 /nfs/dbraw/zinc/26/40/12/183264012.db2.gz HHPVPVIQBMGICD-QWHCGFSZSA-N 1 0 317.296 3.602 10 0 DHAERO CCCCC[C@H](C[NH3+])N(C)Cc1cc(Br)cs1 ZINC000042398708 183264236 /nfs/dbraw/zinc/26/42/36/183264236.db2.gz UTKNJCAPNXEDTF-GFCCVEGCSA-N 1 0 319.312 3.850 10 0 DHAERO CC(C)CN([C@H](C[NH3+])c1cc(Br)cs1)C1CC1 ZINC000042555365 183284101 /nfs/dbraw/zinc/28/41/01/183284101.db2.gz CEGUHNXECLOEON-GFCCVEGCSA-N 1 0 317.296 3.631 10 0 DHAERO C[C@H](CN1CCCC1)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000042597274 183289769 /nfs/dbraw/zinc/28/97/69/183289769.db2.gz IVOQSDUXWMBBAO-OLZOCXBDSA-N 1 0 311.267 3.584 10 0 DHAERO C[C@@H]([N@H+](C)[C@@H](CN)c1ccc(Br)cc1)C(C)(C)C ZINC000042742291 183304529 /nfs/dbraw/zinc/30/45/29/183304529.db2.gz JJACCYTZXUKKGI-RISCZKNCSA-N 1 0 313.283 3.815 10 0 DHAERO CCC[NH+](CCC)[C@H](c1ccc(Br)cc1)[C@H](C)N ZINC000042952095 183320556 /nfs/dbraw/zinc/32/05/56/183320556.db2.gz ZYZOVBFLMSKELB-WFASDCNBSA-N 1 0 313.283 3.959 10 0 DHAERO CCC[N@H+](CC)[C@@H](c1ccc(Br)cc1)[C@H](N)CC ZINC000042952862 183322052 /nfs/dbraw/zinc/32/20/52/183322052.db2.gz XYLYLHHARMESLN-CABCVRRESA-N 1 0 313.283 3.959 10 0 DHAERO COc1ccc([C@@H](C[NH3+])Oc2ccccc2Br)cc1 ZINC000042963322 183324336 /nfs/dbraw/zinc/32/43/36/183324336.db2.gz MWBYGNLXCMFWCE-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO [NH3+]C[C@@H](Oc1ccc(Br)cc1)c1cccc(F)c1 ZINC000042973463 183324573 /nfs/dbraw/zinc/32/45/73/183324573.db2.gz SOBRQADQGIQARO-CQSZACIVSA-N 1 0 310.166 3.667 10 0 DHAERO [NH3+]C[C@H](OCc1ccccc1)c1cccc(Br)c1 ZINC000043022316 183329656 /nfs/dbraw/zinc/32/96/56/183329656.db2.gz OUOAZGZSUVEHFG-HNNXBMFYSA-N 1 0 306.203 3.666 10 0 DHAERO CC(C)C[C@@H](C)O[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043023132 183330862 /nfs/dbraw/zinc/33/08/62/183330862.db2.gz BMZUHROJDIWOEV-RISCZKNCSA-N 1 0 300.240 3.900 10 0 DHAERO [NH3+]C[C@H](Sc1ccccn1)c1ccccc1Br ZINC000043095871 183337737 /nfs/dbraw/zinc/33/77/37/183337737.db2.gz CDSUWBDWNKNKTF-LBPRGKRZSA-N 1 0 309.232 3.636 10 0 DHAERO Cc1ccc(O[C@H](C[NH3+])c2cccs2)c(Br)c1 ZINC000043110343 183338000 /nfs/dbraw/zinc/33/80/00/183338000.db2.gz FZJLZCUAGQHVSZ-GFCCVEGCSA-N 1 0 312.232 3.898 10 0 DHAERO C[C@H]([NH3+])[C@H](Oc1cccc(Br)c1)c1cccs1 ZINC000043108529 183338016 /nfs/dbraw/zinc/33/80/16/183338016.db2.gz QNNMABNPQXHULO-ZANVPECISA-N 1 0 312.232 3.978 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)Cc1ccoc1 ZINC000043092638 183335595 /nfs/dbraw/zinc/33/55/95/183335595.db2.gz NYMWYFDTMLXEEC-ABAIWWIYSA-N 1 0 323.234 3.562 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)Cc1ccoc1 ZINC000043092644 183335741 /nfs/dbraw/zinc/33/57/41/183335741.db2.gz NYMWYFDTMLXEEC-IAQYHMDHSA-N 1 0 323.234 3.562 10 0 DHAERO CC(C)(C)c1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104974905 194060476 /nfs/dbraw/zinc/06/04/76/194060476.db2.gz AECOQICAFMZDKM-OAHLLOKOSA-N 1 0 315.461 3.686 10 0 DHAERO CCn1cnnc1C1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000105928486 194172126 /nfs/dbraw/zinc/17/21/26/194172126.db2.gz KXYVLDYRLSMSRX-GFCCVEGCSA-N 1 0 320.387 3.517 10 0 DHAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(OC(F)F)cc3)C2)c1 ZINC000106219877 194190916 /nfs/dbraw/zinc/19/09/16/194190916.db2.gz VXRHICHRVVQYMQ-HNNXBMFYSA-N 1 0 321.371 3.630 10 0 DHAERO CC[NH2+][C@H](C)[C@H](C)Cc1cc(Br)ccc1OC ZINC000049596944 183745939 /nfs/dbraw/zinc/74/59/39/183745939.db2.gz LCOYWASLHYEFAA-GHMZBOCLSA-N 1 0 300.240 3.634 10 0 DHAERO COc1ccc(CC2([NH3+])CCC(C)CC2)cc1Br ZINC000049597831 183746194 /nfs/dbraw/zinc/74/61/94/183746194.db2.gz RZLYWSMNRZWYKV-UHFFFAOYSA-N 1 0 312.251 3.908 10 0 DHAERO [NH3+][C@H](Cc1ccc(F)c(Br)c1)c1ccc(F)cc1 ZINC000049598862 183746506 /nfs/dbraw/zinc/74/65/06/183746506.db2.gz FAGWNJXXIFYXHU-CQSZACIVSA-N 1 0 312.157 3.970 10 0 DHAERO [NH3+][C@@H](Cc1ccc(F)c(Br)c1)c1cccc(F)c1 ZINC000049598888 183746674 /nfs/dbraw/zinc/74/66/74/183746674.db2.gz YEVRYPNFAAUKEY-AWEZNQCLSA-N 1 0 312.157 3.970 10 0 DHAERO CCC[NH2+]C[C@@H](OC(C)C)c1cccc(Br)c1 ZINC000050483513 183788030 /nfs/dbraw/zinc/78/80/30/183788030.db2.gz BCIJGHUJAARFTB-CQSZACIVSA-N 1 0 300.240 3.915 10 0 DHAERO [NH3+][C@@H](Cc1ccccc1)Cc1ccc(Br)cc1F ZINC000053816880 183913706 /nfs/dbraw/zinc/91/37/06/183913706.db2.gz IKBZGUMFBKFKLI-AWEZNQCLSA-N 1 0 308.194 3.701 10 0 DHAERO [NH3+]C[C@H](Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC000057653643 184044045 /nfs/dbraw/zinc/04/40/45/184044045.db2.gz JYXKUPOMUXHNHZ-AWEZNQCLSA-N 1 0 309.182 3.700 10 0 DHAERO COc1ccc(C[C@@H]([NH3+])c2ccccc2Br)cc1F ZINC000060699870 184154495 /nfs/dbraw/zinc/15/44/95/184154495.db2.gz RCAARSCTXBKCMH-CQSZACIVSA-N 1 0 324.193 3.839 10 0 DHAERO C[NH2+][C@H](Cc1ccc(Br)cc1F)c1ncccc1C ZINC000060700809 184154670 /nfs/dbraw/zinc/15/46/70/184154670.db2.gz COXANZACBDMIOZ-CQSZACIVSA-N 1 0 323.209 3.795 10 0 DHAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000061286895 184167626 /nfs/dbraw/zinc/16/76/26/184167626.db2.gz ONYBDAACZOQAPG-UHFFFAOYSA-N 1 0 309.624 3.973 10 0 DHAERO C[NH2+][C@@H](C)[C@@H](Cc1ccc(OC)c(Br)c1)C(C)C ZINC000061686812 184183005 /nfs/dbraw/zinc/18/30/05/184183005.db2.gz NGAQWCOFYHUAAU-AAEUAGOBSA-N 1 0 314.267 3.880 10 0 DHAERO C[C@H]([NH3+])c1ccc(Oc2ccc(CO)cc2)c(Br)c1 ZINC000061699653 184183849 /nfs/dbraw/zinc/18/38/49/184183849.db2.gz PWUGGVOPKIPXLD-JTQLQIEISA-N 1 0 322.202 3.753 10 0 DHAERO CCOC(=O)C[C@@H](C)C[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000061830367 184188886 /nfs/dbraw/zinc/18/88/86/184188886.db2.gz GGIXYEWDDQEXTC-ZANVPECISA-N 1 0 304.217 3.973 10 0 DHAERO [NH3+][C@H](c1cccc(Br)c1)c1ccc(F)c(F)c1F ZINC000061838327 184189125 /nfs/dbraw/zinc/18/91/25/184189125.db2.gz HWBYKLQFWOWXKD-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO [NH3+][C@@H](Cc1ccc(Br)cc1)c1ccc2c(c1)COC2 ZINC000062332428 184231306 /nfs/dbraw/zinc/23/13/06/184231306.db2.gz WVTXAPRUWVQZNM-INIZCTEOSA-N 1 0 318.214 3.722 10 0 DHAERO [NH3+][C@H](Cc1ccc(F)c(Br)c1)c1ccccc1F ZINC000062774615 184253279 /nfs/dbraw/zinc/25/32/79/184253279.db2.gz QPVIJDAAOJEPQD-CQSZACIVSA-N 1 0 312.157 3.970 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CCCC1(C)C ZINC000063065775 184269098 /nfs/dbraw/zinc/26/90/98/184269098.db2.gz JKFBQIHLNHRHAT-CABZTGNLSA-N 1 0 317.296 3.773 10 0 DHAERO C[NH2+]Cc1ccoc1COc1ccc(Br)cc1C ZINC000063062564 184269149 /nfs/dbraw/zinc/26/91/49/184269149.db2.gz OQLXWSXVFPCNIS-UHFFFAOYSA-N 1 0 310.191 3.649 10 0 DHAERO CCn1c([C@@H]2CC[N@H+](Cc3ccsc3)C2)nc2cccnc21 ZINC000065285338 184321114 /nfs/dbraw/zinc/32/11/14/184321114.db2.gz RSRCUSSBHOQNEP-CQSZACIVSA-N 1 0 312.442 3.502 10 0 DHAERO CO[C@@H]1CC[N@H+](Cc2csc(C)n2)C[C@H]1Cc1ccccc1 ZINC000247983371 257113017 /nfs/dbraw/zinc/11/30/17/257113017.db2.gz YDMZLZHPINGFBY-SJLPKXTDSA-N 1 0 316.470 3.531 10 0 DHAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC000238855280 257260294 /nfs/dbraw/zinc/26/02/94/257260294.db2.gz RFSKETHKTZEBGO-HLLBOEOZSA-N 1 0 318.461 3.668 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1cccs1 ZINC000285137626 131141083 /nfs/dbraw/zinc/14/10/83/131141083.db2.gz LRIBXIDVBWHBQY-NWDGAFQWSA-N 1 0 310.463 3.654 10 0 DHAERO COc1ccc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)cc1F ZINC000120437810 132142112 /nfs/dbraw/zinc/14/21/12/132142112.db2.gz WRIQXZNJLONFCH-RDTXWAMCSA-N 1 0 316.420 3.788 10 0 DHAERO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)CC(C)(C)C1 ZINC000121362272 132155445 /nfs/dbraw/zinc/15/54/45/132155445.db2.gz ZPAPJXBIVKNGSO-NVXWUHKLSA-N 1 0 301.478 3.855 10 0 DHAERO CC[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000049712034 134757399 /nfs/dbraw/zinc/75/73/99/134757399.db2.gz PHLJRNYYHCNISH-CHWSQXEVSA-N 1 0 311.267 3.724 10 0 DHAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000186097472 332914468 /nfs/dbraw/zinc/91/44/68/332914468.db2.gz DJEWFADWILOJTH-MXFOUFLYSA-N 1 0 314.477 3.616 10 0 DHAERO CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000089452190 331820609 /nfs/dbraw/zinc/82/06/09/331820609.db2.gz NOUWGOARDBDCQZ-FVQBIDKESA-N 1 0 308.853 3.528 10 0 DHAERO CC(C)[C@@H]([NH3+])CCN(C)Cc1cc(Cl)ccc1OC(F)F ZINC000128501770 332012744 /nfs/dbraw/zinc/01/27/44/332012744.db2.gz HINWQRAXGZNLBS-ZDUSSCGKSA-N 1 0 320.811 3.747 10 0 DHAERO CC[C@@]1(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000128974538 332016486 /nfs/dbraw/zinc/01/64/86/332016486.db2.gz AQQQAMHZGMJJDZ-BMIGLBTASA-N 1 0 315.244 3.703 10 0 DHAERO CSc1cccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000130033465 332021967 /nfs/dbraw/zinc/02/19/67/332021967.db2.gz SSQHFVRMOQEHQU-WBMJQRKESA-N 1 0 300.427 3.683 10 0 DHAERO Cc1ccc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)c(Cl)c1 ZINC000130118161 332022988 /nfs/dbraw/zinc/02/29/88/332022988.db2.gz RBTBCOLKFKQNGU-MLGOLLRUSA-N 1 0 302.805 3.923 10 0 DHAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000092708253 332139496 /nfs/dbraw/zinc/13/94/96/332139496.db2.gz JFYPUFCJVFDQGK-HNNXBMFYSA-N 1 0 316.470 3.782 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)c1cccs1 ZINC000049529592 332315409 /nfs/dbraw/zinc/31/54/09/332315409.db2.gz JYEKGRNUVRRGSN-UONOGXRCSA-N 1 0 300.427 3.897 10 0 DHAERO Cc1ccc([C@H](C)NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000261848270 332504684 /nfs/dbraw/zinc/50/46/84/332504684.db2.gz ZQNKROCZNURFHQ-TXPKVOOTSA-N 1 0 310.441 3.817 10 0 DHAERO CC1(C)CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000261865258 332612726 /nfs/dbraw/zinc/61/27/26/332612726.db2.gz YILTVAJSJHFRHA-GFCCVEGCSA-N 1 0 316.232 3.585 10 0 DHAERO Cc1cnn([C@@H]2CCCN(Cc3cc(F)ccc3Cl)C2)c1 ZINC000188966349 333058801 /nfs/dbraw/zinc/05/88/01/333058801.db2.gz BMTSJCRPXNXNCI-OAHLLOKOSA-N 1 0 307.800 3.821 10 0 DHAERO C[C@@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)c1cccnc1 ZINC000112537084 333093842 /nfs/dbraw/zinc/09/38/42/333093842.db2.gz HEWSEAVALFVYKB-YLJYHZDGSA-N 1 0 309.457 3.787 10 0 DHAERO C[C@H](O)C1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000092969824 333155811 /nfs/dbraw/zinc/15/58/11/333155811.db2.gz OSFUCJHLRYPXRM-LBPRGKRZSA-N 1 0 321.367 3.818 10 0 DHAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)c1 ZINC000123832537 333191735 /nfs/dbraw/zinc/19/17/35/333191735.db2.gz NMRKOQRTKKNYRN-INIZCTEOSA-N 1 0 301.434 3.577 10 0 DHAERO CCc1nc(C)c([C@@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)s1 ZINC000188660663 333384561 /nfs/dbraw/zinc/38/45/61/333384561.db2.gz SWEDJYDTEQXDSI-SJKOYZFVSA-N 1 0 310.507 3.996 10 0 DHAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049129413 334315053 /nfs/dbraw/zinc/31/50/53/334315053.db2.gz BERMTUZZEMQPKG-QWRGUYRKSA-N 1 0 302.871 3.747 10 0 DHAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)N1CCCCCC1 ZINC000049129502 334315332 /nfs/dbraw/zinc/31/53/32/334315332.db2.gz GYWMXOXSTCPSSW-VXGBXAGGSA-N 1 0 314.882 3.843 10 0 DHAERO Cc1nc2n(n1)CCC[C@@H]2Nc1cc(C)[nH+]c2ccc(F)cc12 ZINC000129127574 334902215 /nfs/dbraw/zinc/90/22/15/334902215.db2.gz ILZWZPCBPDAXGU-HNNXBMFYSA-N 1 0 311.364 3.529 10 0 DHAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1Oc1cccnc1 ZINC000113270735 335301074 /nfs/dbraw/zinc/30/10/74/335301074.db2.gz DKMZVECYUWJWPV-FUHWJXTLSA-N 1 0 323.440 3.542 10 0 DHAERO CCC[C@@H](C(=O)N[C@@H](C)c1cc2ccccc2s1)[NH+](C)C ZINC000179235377 335948009 /nfs/dbraw/zinc/94/80/09/335948009.db2.gz VTXBDMCIXNFIDO-JSGCOSHPSA-N 1 0 304.459 3.809 10 0 DHAERO Cc1cnn([C@H]2CCC[N@H+](CCSCc3ccccc3)C2)c1 ZINC000192577853 336159321 /nfs/dbraw/zinc/15/93/21/336159321.db2.gz XOXLLXNOKGDUKL-SFHVURJKSA-N 1 0 315.486 3.762 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCSCc1ccccc1 ZINC000192613452 336194664 /nfs/dbraw/zinc/19/46/64/336194664.db2.gz VJOAKDWXSHMLBP-GOSISDBHSA-N 1 0 315.486 3.589 10 0 DHAERO C=Cn1cc(C[NH2+][C@H](C)c2cccc(Br)c2)cn1 ZINC000194345200 336227446 /nfs/dbraw/zinc/22/74/46/336227446.db2.gz FXNMELPSLSSHJO-LLVKDONJSA-N 1 0 306.207 3.597 10 0 DHAERO CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000192772649 336261406 /nfs/dbraw/zinc/26/14/06/336261406.db2.gz ATBVLUDCXSADGL-BEFAXECRSA-N 1 0 310.441 3.557 10 0 DHAERO CC(C)(C)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000104971574 336273109 /nfs/dbraw/zinc/27/31/09/336273109.db2.gz GPZWMDAXOPMJQC-QGZVFWFLSA-N 1 0 315.461 3.686 10 0 DHAERO Cc1ccc(C[NH+]2CCC(CNc3cccc(F)n3)CC2)cc1 ZINC000301191871 336294111 /nfs/dbraw/zinc/29/41/11/336294111.db2.gz MRXMGRRYIYVPJL-UHFFFAOYSA-N 1 0 313.420 3.853 10 0 DHAERO CCC[N@@H+]1CCCN(c2ccnc3ccc(Cl)cc32)CC1 ZINC000301399863 336304319 /nfs/dbraw/zinc/30/43/19/336304319.db2.gz PLOFIQIWUSTYIT-UHFFFAOYSA-N 1 0 303.837 3.810 10 0 DHAERO Cc1ccc([C@](C)(O)CNc2cc(C)[nH+]c3ccc(F)cc23)o1 ZINC000301644297 336320358 /nfs/dbraw/zinc/32/03/58/336320358.db2.gz CHPUTTJILOPEHH-GOSISDBHSA-N 1 0 314.360 3.903 10 0 DHAERO COc1cccc([C@@H](O)CNc2cc[nH+]c3c(C)cccc23)c1 ZINC000301684401 336323274 /nfs/dbraw/zinc/32/32/74/336323274.db2.gz TWGXXRNMMAIFOL-SFHVURJKSA-N 1 0 308.381 3.697 10 0 DHAERO CC[N@@H+]1CCc2c(cccc2Nc2nccc(C(F)(F)F)n2)C1 ZINC000301692627 336323788 /nfs/dbraw/zinc/32/37/88/336323788.db2.gz LGODMEVFUSTBGO-UHFFFAOYSA-N 1 0 322.334 3.617 10 0 DHAERO O[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000301800504 336330878 /nfs/dbraw/zinc/33/08/78/336330878.db2.gz SAKARFUHRZCGRO-DZGCQCFKSA-N 1 0 310.319 3.969 10 0 DHAERO Cc1nc2ccccc2nc1N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000301998224 336342247 /nfs/dbraw/zinc/34/22/47/336342247.db2.gz UOVNTSZFWPEYBU-KRWDZBQOSA-N 1 0 324.472 3.783 10 0 DHAERO CCC1(CC)CN(c2cc[nH+]c3c(C)cccc23)CC[S@@]1=O ZINC000302227187 336355055 /nfs/dbraw/zinc/35/50/55/336355055.db2.gz UEENABWIWCZSLL-QFIPXVFZSA-N 1 0 316.470 3.671 10 0 DHAERO Cc1cnn([C@H]2CCC[N@@H+](Cc3cccn3CCC(C)C)C2)c1 ZINC000123116287 337038008 /nfs/dbraw/zinc/03/80/08/337038008.db2.gz HYYKBEMAPXMYFS-IBGZPJMESA-N 1 0 314.477 3.876 10 0 DHAERO Cc1ccc(CN2CCO[C@H](c3nccs3)C2)cc1Cl ZINC000193861098 337079724 /nfs/dbraw/zinc/07/97/24/337079724.db2.gz RHGWGMHWKBNENO-AWEZNQCLSA-N 1 0 308.834 3.678 10 0 DHAERO CSc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000171510708 337087562 /nfs/dbraw/zinc/08/75/62/337087562.db2.gz HYQLZAQGOQLPGC-UHFFFAOYSA-N 1 0 301.459 3.517 10 0 DHAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(Cl)cc2cccnc21 ZINC000172081443 337089695 /nfs/dbraw/zinc/08/96/95/337089695.db2.gz QHOOSLLVLYSFGJ-SUMWQHHRSA-N 1 0 315.848 3.557 10 0 DHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000172290231 337091668 /nfs/dbraw/zinc/09/16/68/337091668.db2.gz WHUVPTZFFAIWKF-LJQANCHMSA-N 1 0 309.457 3.863 10 0 DHAERO Cc1csc([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(C)cc3)C2)n1 ZINC000174764137 337143507 /nfs/dbraw/zinc/14/35/07/337143507.db2.gz VMODKKUXDQLWPT-DLBZAZTESA-N 1 0 316.470 3.673 10 0 DHAERO CCC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000177336615 337156910 /nfs/dbraw/zinc/15/69/10/337156910.db2.gz MLDQRNXJLVZUGC-ZWKOTPCHSA-N 1 0 317.477 3.654 10 0 DHAERO C[C@@H]([NH3+])CCNC(=O)c1cc2sc3ccccc3c2s1 ZINC000178674137 337165921 /nfs/dbraw/zinc/16/59/21/337165921.db2.gz PLVGHVQRRBIMBY-SECBINFHSA-N 1 0 304.440 3.583 10 0 DHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C ZINC000180119784 337171491 /nfs/dbraw/zinc/17/14/91/337171491.db2.gz FOSPXIKOBKYKTB-QGZVFWFLSA-N 1 0 301.409 3.822 10 0 DHAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cnn(C(C)C)c2)C12CCCC2 ZINC000179863498 337172284 /nfs/dbraw/zinc/17/22/84/337172284.db2.gz LOBWWFYASRHYEH-SJORKVTESA-N 1 0 305.466 3.634 10 0 DHAERO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000180533027 337176199 /nfs/dbraw/zinc/17/61/99/337176199.db2.gz YFZJSGOWJBXTHQ-NVXWUHKLSA-N 1 0 312.461 3.684 10 0 DHAERO C[C@@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CCCO1 ZINC000183119593 337190035 /nfs/dbraw/zinc/19/00/35/337190035.db2.gz HGEWQCVFRXBKLA-BXUZGUMPSA-N 1 0 306.793 3.652 10 0 DHAERO O[C@@H](C[N@@H+]1CCC[C@H]1c1ccco1)c1ccc(F)cc1Cl ZINC000187047503 337261382 /nfs/dbraw/zinc/26/13/82/337261382.db2.gz DJVXXPNHQLBAIT-GJZGRUSLSA-N 1 0 309.768 3.943 10 0 DHAERO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000187049656 337261442 /nfs/dbraw/zinc/26/14/42/337261442.db2.gz ZLJNHJHLCRQOBO-NEPJUHHUSA-N 1 0 307.800 3.763 10 0 DHAERO OC[C@@H]1C[N@H+](CCc2ccccc2Cl)C[C@H]1c1ccsc1 ZINC000188102897 337270880 /nfs/dbraw/zinc/27/08/80/337270880.db2.gz TYZQFPCLSWZZGM-HOTGVXAUSA-N 1 0 321.873 3.652 10 0 DHAERO CC[C@@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1cccc(F)c1 ZINC000188342448 337272018 /nfs/dbraw/zinc/27/20/18/337272018.db2.gz QCIYFGCNFSHVRZ-HZPDHXFCSA-N 1 0 316.424 3.596 10 0 DHAERO C[C@H](NCc1cncc(F)c1)c1ccccc1Br ZINC000230942194 337275213 /nfs/dbraw/zinc/27/52/13/337275213.db2.gz XNZHADSUPDAXFE-JTQLQIEISA-N 1 0 309.182 3.834 10 0 DHAERO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cn1 ZINC000190669141 337289507 /nfs/dbraw/zinc/28/95/07/337289507.db2.gz OTLNFGVBBWANIB-LBPRGKRZSA-N 1 0 305.372 3.667 10 0 DHAERO Cc1csc([C@H]2CCC[N@H+](C[C@H](O)CC3CCCC3)C2)n1 ZINC000191321573 337295905 /nfs/dbraw/zinc/29/59/05/337295905.db2.gz QEZMUQFAMKMSHN-JKSUJKDBSA-N 1 0 308.491 3.572 10 0 DHAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000191367779 337296268 /nfs/dbraw/zinc/29/62/68/337296268.db2.gz OKVDEKRCVGWAFF-IBGZPJMESA-N 1 0 311.429 3.926 10 0 DHAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000191367754 337296307 /nfs/dbraw/zinc/29/63/07/337296307.db2.gz OKVDEKRCVGWAFF-LJQANCHMSA-N 1 0 311.429 3.926 10 0 DHAERO CCOC(=O)C[C@@H]([NH3+])CCCc1ccccc1-c1ccccc1 ZINC000584661226 337378335 /nfs/dbraw/zinc/37/83/35/337378335.db2.gz OJPXOROXTHKRGW-SFHVURJKSA-N 1 0 311.425 3.957 10 0 DHAERO CCCCC[NH+]1CCC(c2cccc(O)c2)([C@@H](O)CC)CC1 ZINC000584636771 337379403 /nfs/dbraw/zinc/37/94/03/337379403.db2.gz ABJFKMUFTGDELC-SFHVURJKSA-N 1 0 305.462 3.687 10 0 DHAERO C[NH+]1CCC(O)(c2ccc(OC34CCC(CC3)CC4)cc2)CC1 ZINC000584636779 337379412 /nfs/dbraw/zinc/37/94/12/337379412.db2.gz BLOZVACFAXKFNH-UHFFFAOYSA-N 1 0 315.457 3.701 10 0 DHAERO C[C@H]([NH2+]Cc1ccccc1)C(=O)Nc1cnc(Cl)cc1Cl ZINC000584649086 337380533 /nfs/dbraw/zinc/38/05/33/337380533.db2.gz VKKTXHBKHFLFPU-JTQLQIEISA-N 1 0 324.211 3.505 10 0 DHAERO Cc1cccc(Oc2ccccc2NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000194284906 337491504 /nfs/dbraw/zinc/49/15/04/337491504.db2.gz RGGMPYGBBBFNPO-HNNXBMFYSA-N 1 0 310.397 3.725 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cccs2)C12CCOCC2 ZINC000248924685 337568584 /nfs/dbraw/zinc/56/85/84/337568584.db2.gz FPHHYSULASSQEF-VNQPRFMTSA-N 1 0 309.475 3.763 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2)C12CCOCC2 ZINC000248992092 337569142 /nfs/dbraw/zinc/56/91/42/337569142.db2.gz LGTXPGZJWAPXBU-FGTMMUONSA-N 1 0 303.446 3.702 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C12CCOCC2 ZINC000249052350 337569435 /nfs/dbraw/zinc/56/94/35/337569435.db2.gz WZIFJISYQONTHU-XOKHGSTOSA-N 1 0 323.864 3.965 10 0 DHAERO CCC[C@H](C(=O)Nc1ccc(-c2nc(C)cs2)cc1)[NH+](C)C ZINC000161915957 337599560 /nfs/dbraw/zinc/59/95/60/337599560.db2.gz KZCHRAYVIHOEOH-OAHLLOKOSA-N 1 0 317.458 3.787 10 0 DHAERO Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261645708 337607241 /nfs/dbraw/zinc/60/72/41/337607241.db2.gz DBAPYMYZUVIEMU-GUDVDZBRSA-N 1 0 314.473 3.814 10 0 DHAERO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000261684967 337608521 /nfs/dbraw/zinc/60/85/21/337608521.db2.gz DOHMZYBVMOYQFO-PPRPKMEESA-N 1 0 322.452 3.529 10 0 DHAERO C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H](C[NH3+])C1 ZINC000261862104 337611780 /nfs/dbraw/zinc/61/17/80/337611780.db2.gz RLCSXUFODJHDLB-KXBFYZLASA-N 1 0 308.425 3.553 10 0 DHAERO C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H](C[NH3+])C1 ZINC000261862103 337611811 /nfs/dbraw/zinc/61/18/11/337611811.db2.gz RLCSXUFODJHDLB-HNAYVOBHSA-N 1 0 308.425 3.553 10 0 DHAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000261966547 337613372 /nfs/dbraw/zinc/61/33/72/337613372.db2.gz LPGGAWJHOSIISP-WOJBJXKFSA-N 1 0 322.452 3.590 10 0 DHAERO CC[C@H](C)c1ccc([C@@H](NC(=O)[C@@H](C)C2C[NH2+]C2)C(C)C)cc1 ZINC000262259274 337616145 /nfs/dbraw/zinc/61/61/45/337616145.db2.gz UFDKKPWFDWVFLJ-DOXZYTNZSA-N 1 0 316.489 3.869 10 0 DHAERO CC[C@H](C)c1ccc([C@H](NC(=O)[C@H](C)C2C[NH2+]C2)C(C)C)cc1 ZINC000262259276 337616220 /nfs/dbraw/zinc/61/62/20/337616220.db2.gz UFDKKPWFDWVFLJ-QMTMVMCOSA-N 1 0 316.489 3.869 10 0 DHAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000262619691 337619914 /nfs/dbraw/zinc/61/99/14/337619914.db2.gz OPYNMFCCGGAPCI-RTHLEPHNSA-N 1 0 321.223 3.827 10 0 DHAERO CCC[C@@](C)([NH3+])C(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000262620412 337619932 /nfs/dbraw/zinc/61/99/32/337619932.db2.gz OPYNMFCCGGAPCI-XLKFXECMSA-N 1 0 321.223 3.827 10 0 DHAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000262654723 337620234 /nfs/dbraw/zinc/62/02/34/337620234.db2.gz WOTNKLDQCFZFCN-MEDUHNTESA-N 1 0 313.401 3.531 10 0 DHAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)ccc1Cl ZINC000120215130 337871521 /nfs/dbraw/zinc/87/15/21/337871521.db2.gz VEZQLPMTTNAKSP-GFCCVEGCSA-N 1 0 317.260 3.700 10 0 DHAERO CC(C)CCn1cccc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000092810630 337909468 /nfs/dbraw/zinc/90/94/68/337909468.db2.gz RAOITSLXXVZRFP-UHFFFAOYSA-N 1 0 314.477 3.647 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccccc1Br ZINC000153739527 338229501 /nfs/dbraw/zinc/22/95/01/338229501.db2.gz ZBBXPUXLMJLIFX-YWPYICTPSA-N 1 0 312.251 3.651 10 0 DHAERO CC(C)Oc1ccc(NC(=O)[C@]2(C)CCCC[NH2+]2)cc1Cl ZINC000166999959 339053418 /nfs/dbraw/zinc/05/34/18/339053418.db2.gz UZIPXRIWAYCZHK-INIZCTEOSA-N 1 0 310.825 3.598 10 0 DHAERO C[C@@H]1C[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)C[C@H](C)O1 ZINC000467435371 339238406 /nfs/dbraw/zinc/23/84/06/339238406.db2.gz XWWJUGSQUCYXAD-YXBMOBLPSA-N 1 0 303.446 3.527 10 0 DHAERO C[C@H]([NH2+]CCCC(F)(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400468945 340147432 /nfs/dbraw/zinc/14/74/32/340147432.db2.gz UMWJUNFCMRFTIA-NWDGAFQWSA-N 1 0 324.387 3.564 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000300414118 340225492 /nfs/dbraw/zinc/22/54/92/340225492.db2.gz HIEWWWXOAWMMDU-WBMJQRKESA-N 1 0 323.278 3.510 10 0 DHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1I ZINC000308856295 340237281 /nfs/dbraw/zinc/23/72/81/340237281.db2.gz PZNNYLOLKRCRCI-MNOVXSKESA-N 1 0 317.214 3.986 10 0 DHAERO CCC(CC)(CC)[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000086642581 340276069 /nfs/dbraw/zinc/27/60/69/340276069.db2.gz JWNHMYRCHSBAKX-INIZCTEOSA-N 1 0 313.869 3.776 10 0 DHAERO Cc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000007500269 340466353 /nfs/dbraw/zinc/46/63/53/340466353.db2.gz XIHITCURDFCOMJ-AWEZNQCLSA-N 1 0 316.832 3.615 10 0 DHAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(C)c2)C12CCOCC2 ZINC000186504092 340513743 /nfs/dbraw/zinc/51/37/43/340513743.db2.gz AWDROXVSOQPHEF-SJORKVTESA-N 1 0 323.864 3.712 10 0 DHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(I)cc1)C1CC1 ZINC000037259331 340780878 /nfs/dbraw/zinc/78/08/78/340780878.db2.gz AWJINVDIEUODFT-ZJUUUORDSA-N 1 0 315.198 3.740 10 0 DHAERO CCCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000131911629 341113454 /nfs/dbraw/zinc/11/34/54/341113454.db2.gz RYYQMFLZZNBJBF-IBGZPJMESA-N 1 0 313.445 3.936 10 0 DHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000133443290 341175366 /nfs/dbraw/zinc/17/53/66/341175366.db2.gz KEVINZUPJCNVLL-IEBWSBKVSA-N 1 0 313.420 3.873 10 0 DHAERO CC(C)(C)OCC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134850791 341225165 /nfs/dbraw/zinc/22/51/65/341225165.db2.gz YXJODWCKEARVPG-MRXNPFEDSA-N 1 0 307.409 3.678 10 0 DHAERO Cc1cc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)ccc1Cl ZINC000135231603 341233727 /nfs/dbraw/zinc/23/37/27/341233727.db2.gz YUWKGXVHWQDNTQ-UHFFFAOYSA-N 1 0 300.789 3.546 10 0 DHAERO C[C@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000136141469 341253635 /nfs/dbraw/zinc/25/36/35/341253635.db2.gz JBVCEXPZXVXILR-BONVTDFDSA-N 1 0 315.244 3.703 10 0 DHAERO COc1ccc([C@@H](C)C[N@@H+]2CCCC[C@@H](N3CCCC3)C2)cc1 ZINC000245858836 341316500 /nfs/dbraw/zinc/31/65/00/341316500.db2.gz ODXYYZOECJLPGD-PKOBYXMFSA-N 1 0 316.489 3.749 10 0 DHAERO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246086222 341324419 /nfs/dbraw/zinc/32/44/19/341324419.db2.gz FGEQOWGUHKKSNK-KBPBESRZSA-N 1 0 317.383 3.855 10 0 DHAERO C[C@H]1C[C@H](CC[NH+]2CCC(C(=O)N3CCCC3)CC2)C[C@@H](C)C1 ZINC000246261989 341338897 /nfs/dbraw/zinc/33/88/97/341338897.db2.gz QWPMGWCCUOMSQA-PIIMJCKOSA-N 1 0 320.521 3.783 10 0 DHAERO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)C1CCCC1 ZINC000246300236 341340941 /nfs/dbraw/zinc/34/09/41/341340941.db2.gz CYSHFYZVNAHKIP-BFYDXBDKSA-N 1 0 322.518 3.678 10 0 DHAERO CCSc1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246305809 341341073 /nfs/dbraw/zinc/34/10/73/341341073.db2.gz DLUBQTUHXGTDDB-CZUORRHYSA-N 1 0 321.490 3.649 10 0 DHAERO C[C@H](C[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)c1ccccc1 ZINC000246743781 341356586 /nfs/dbraw/zinc/35/65/86/341356586.db2.gz PQOGIPZUGWNQIM-ACWOFJMJSA-N 1 0 317.379 3.876 10 0 DHAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000247112419 341361089 /nfs/dbraw/zinc/36/10/89/341361089.db2.gz FABCJMBHOWVXBS-PBHICJAKSA-N 1 0 315.461 3.685 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(Br)cc1 ZINC000247316655 341363282 /nfs/dbraw/zinc/36/32/82/341363282.db2.gz KPZQOPABOIJJPW-WHOFXGATSA-N 1 0 312.251 3.651 10 0 DHAERO Cc1c2cccc(C)c2oc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247519612 341366447 /nfs/dbraw/zinc/36/64/47/341366447.db2.gz YZEOIYMKMIXTGF-CZUORRHYSA-N 1 0 314.429 3.508 10 0 DHAERO CC(C)[C@@H](C)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000248057490 341372686 /nfs/dbraw/zinc/37/26/86/341372686.db2.gz XQYIYKTZZIPGJU-IAGOWNOFSA-N 1 0 323.525 3.717 10 0 DHAERO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccccc2OC(F)F)C1 ZINC000248061084 341372878 /nfs/dbraw/zinc/37/28/78/341372878.db2.gz YKAIFTWGNZWLTD-KCQAQPDRSA-N 1 0 312.404 3.667 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cc(Br)cs1 ZINC000248747532 341385752 /nfs/dbraw/zinc/38/57/52/341385752.db2.gz UBUDQGONJKRLLD-NHCYSSNCSA-N 1 0 318.280 3.712 10 0 DHAERO CCOCCN1CC[N@H+](CC[C@H](C)c2ccccc2)C[C@H]1CC ZINC000248761776 341386307 /nfs/dbraw/zinc/38/63/07/341386307.db2.gz DRXDNJKLVFDZRD-AZUAARDMSA-N 1 0 318.505 3.613 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)c2cccc(C)c2)C12CCOCC2 ZINC000249004956 341391779 /nfs/dbraw/zinc/39/17/79/341391779.db2.gz NSTNDXQEDULIDY-YTQUADARSA-N 1 0 317.473 3.662 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C12CCOCC2 ZINC000249025696 341392103 /nfs/dbraw/zinc/39/21/03/341392103.db2.gz RNZXVJOGGGCCBI-ZJPYXAASSA-N 1 0 307.478 3.519 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)C12CCOCC2 ZINC000249062406 341393018 /nfs/dbraw/zinc/39/30/18/341393018.db2.gz YSGNEMHJNQDRRR-NZSAHSFTSA-N 1 0 317.473 3.928 10 0 DHAERO C[C@@H]1CC([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)C[C@@H](C)O1 ZINC000090966388 518179049 /nfs/dbraw/zinc/17/90/49/518179049.db2.gz PXVMGPQPXKQMEM-XHBSWPGZSA-N 1 0 307.409 3.974 10 0 DHAERO CC(C)S(=O)(=O)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000181498664 519786732 /nfs/dbraw/zinc/78/67/32/519786732.db2.gz WPAYQCLJQILZJK-HNNXBMFYSA-N 1 0 319.470 3.704 10 0 DHAERO CC(C)c1cc(NCC2CC[NH2+]CC2)nc(-c2ccccc2)n1 ZINC000070455981 519833460 /nfs/dbraw/zinc/83/34/60/519833460.db2.gz NEARRWLXYXBBQV-UHFFFAOYSA-N 1 0 310.445 3.679 10 0 DHAERO CC(C)c1csc([C@@H]2CCC[N@H+](CCCn3ccnc3)C2)n1 ZINC000182797695 519856820 /nfs/dbraw/zinc/85/68/20/519856820.db2.gz HMHKGHKTEBUZKU-OAHLLOKOSA-N 1 0 318.490 3.733 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cc3ccccc3o1)CC2 ZINC000180506153 519896857 /nfs/dbraw/zinc/89/68/57/519896857.db2.gz KVBXCFDOOFFKEN-ZFWWWQNUSA-N 1 0 324.428 3.813 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CC[C@H](C)c3ccccc31)CC2 ZINC000180520655 519897338 /nfs/dbraw/zinc/89/73/38/519897338.db2.gz PUZHMDNGPJQEOT-HDMKZQKVSA-N 1 0 324.472 3.945 10 0 DHAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000188132175 522514570 /nfs/dbraw/zinc/51/45/70/522514570.db2.gz SUKDSGJMKMAGKX-KURKYZTESA-N 1 0 324.472 3.676 10 0 DHAERO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000106177485 523100727 /nfs/dbraw/zinc/10/07/27/523100727.db2.gz TZSCKQHIZSMRLS-HKUYNNGSSA-N 1 0 312.461 3.758 10 0 DHAERO CCc1cc(NCCc2nncn2C(C)C)c2ccccc2[nH+]1 ZINC000301800017 523822212 /nfs/dbraw/zinc/82/22/12/523822212.db2.gz RTWAYKLVEMPYCN-UHFFFAOYSA-N 1 0 309.417 3.624 10 0 DHAERO Cc1cc(C)c(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000106074868 524260556 /nfs/dbraw/zinc/26/05/56/524260556.db2.gz WVXCXYHWFKXQBT-GOSISDBHSA-N 1 0 324.472 3.503 10 0 DHAERO Cc1cccc(COc2cccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)c2)c1 ZINC000237658007 524449654 /nfs/dbraw/zinc/44/96/54/524449654.db2.gz PNZIJOKXCXNOGI-IAGOWNOFSA-N 1 0 324.424 3.640 10 0 DHAERO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000182556416 524482667 /nfs/dbraw/zinc/48/26/67/524482667.db2.gz KKXSHBJPPVOGME-NSHDSACASA-N 1 0 308.834 3.999 10 0 DHAERO Cc1cccc(Oc2ccccc2CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000237775951 524787263 /nfs/dbraw/zinc/78/72/63/524787263.db2.gz UKZNNYRAYRFPIH-RDJZCZTQSA-N 1 0 324.424 3.531 10 0 DHAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180526854 524963874 /nfs/dbraw/zinc/96/38/74/524963874.db2.gz QTLDPWOPSFJRNY-INMHGKMJSA-N 1 0 324.472 3.863 10 0 DHAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000191830777 525135752 /nfs/dbraw/zinc/13/57/52/525135752.db2.gz FWKDWUVIEHPTPP-HYVNUMGLSA-N 1 0 301.430 3.838 10 0 DHAERO Cc1ccccc1COc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000158359198 525174286 /nfs/dbraw/zinc/17/42/86/525174286.db2.gz NCTGLGAKDQGTDY-DOTOQJQBSA-N 1 0 324.424 3.640 10 0 DHAERO Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000237777750 525375776 /nfs/dbraw/zinc/37/57/76/525375776.db2.gz JQHXZRGWVYSQKT-SJORKVTESA-N 1 0 324.424 3.640 10 0 DHAERO C[C@@H]([NH2+]Cc1cn2cccnc2n1)c1ccc(C(C)(C)C)cc1 ZINC000182610024 525549179 /nfs/dbraw/zinc/54/91/79/525549179.db2.gz WYWXHJLRCSYHPH-CQSZACIVSA-N 1 0 308.429 3.878 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@H+](CCOc3ccccc3Cl)C2)c1 ZINC000106224907 526266241 /nfs/dbraw/zinc/26/62/41/526266241.db2.gz HTWFCTFHSLFNQC-OAHLLOKOSA-N 1 0 319.836 3.561 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)c3nc4ccccc4o3)C2)c1 ZINC000181102016 526266728 /nfs/dbraw/zinc/26/67/28/526266728.db2.gz OZWVBSRIFRBAGV-LSDHHAIUSA-N 1 0 310.401 3.731 10 0 DHAERO Cc1cnn([C@H]2CCC[N@H+](CCSc3ccccc3F)C2)c1 ZINC000106224006 526267918 /nfs/dbraw/zinc/26/79/18/526267918.db2.gz DKLATAOJZOYZMA-HNNXBMFYSA-N 1 0 319.449 3.760 10 0 DHAERO Fc1ccccc1SCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000106185074 526417544 /nfs/dbraw/zinc/41/75/44/526417544.db2.gz NZHNUTKYKKQHFN-UHFFFAOYSA-N 1 0 319.449 3.527 10 0 DHAERO c1ccc(NC[C@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)nc1 ZINC000124322473 526483157 /nfs/dbraw/zinc/48/31/57/526483157.db2.gz ZAEZXVWKUQASDP-MRXNPFEDSA-N 1 0 318.424 3.564 10 0 DHAERO Cc1nc(C[NH2+][C@H](C)[C@@H]2CCCO2)oc1-c1ccc(Cl)cc1 ZINC000183110454 526892589 /nfs/dbraw/zinc/89/25/89/526892589.db2.gz FLLFRBBIOQQPQL-ABAIWWIYSA-N 1 0 320.820 3.961 10 0 DHAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(OCC3CCCCC3)cc2)C1 ZINC000237902144 527415441 /nfs/dbraw/zinc/41/54/41/527415441.db2.gz QPVIGRCWVKKLFC-HOTGVXAUSA-N 1 0 316.445 3.712 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000180124093 527441466 /nfs/dbraw/zinc/44/14/66/527441466.db2.gz KWWXDZRIUDGBNS-AWEZNQCLSA-N 1 0 307.800 3.649 10 0 DHAERO FC(F)(F)c1ccccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106185965 527687213 /nfs/dbraw/zinc/68/72/13/527687213.db2.gz VBJJIOGQQJQVPV-UHFFFAOYSA-N 1 0 323.362 3.814 10 0 DHAERO CCC[C@@H](C)C[C@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000068591347 563495056 /nfs/dbraw/zinc/49/50/56/563495056.db2.gz JEWOSVLIBXFXHY-GDBMZVCRSA-N 1 0 312.498 3.953 10 0 DHAERO CCCc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])cc1 ZINC000071790695 563501609 /nfs/dbraw/zinc/50/16/09/563501609.db2.gz ZETHJCQAEHOFJN-DLBZAZTESA-N 1 0 318.461 3.691 10 0 DHAERO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2ccsc21 ZINC000725242830 563525775 /nfs/dbraw/zinc/52/57/75/563525775.db2.gz WIGGZMBPPMPSKC-DYVFJYSZSA-N 1 0 324.490 3.658 10 0 DHAERO Cc1ccc2c(N[C@H]3C[C@H](c4cc(=O)[nH]cn4)C3)cc[nH+]c2c1C ZINC000253535150 563784595 /nfs/dbraw/zinc/78/45/95/563784595.db2.gz JKZMVJXDXKANFC-HDJSIYSDSA-N 1 0 320.396 3.705 10 0 DHAERO CCC(=O)N(C[C@@H](C)[N@H+](C)CCc1ccccc1)c1ccccc1 ZINC000001850015 563796700 /nfs/dbraw/zinc/79/67/00/563796700.db2.gz RXTHKWVSXOIHJS-GOSISDBHSA-N 1 0 324.468 3.993 10 0 in-man DHAERO Cc1ccccc1[C@@]1(C)C[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675053138 563856502 /nfs/dbraw/zinc/85/65/02/563856502.db2.gz GLEXJAAQHVSCDO-KBXCAEBGSA-N 1 0 304.434 3.568 10 0 DHAERO Cc1ccc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c(C)c1 ZINC000675055223 563870379 /nfs/dbraw/zinc/87/03/79/563870379.db2.gz RHXMNUGTXYMOET-GDBMZVCRSA-N 1 0 304.434 3.621 10 0 DHAERO Cc1n[nH]c(C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000075582558 563885035 /nfs/dbraw/zinc/88/50/35/563885035.db2.gz ZHFVDUZZRNVRLO-UHFFFAOYSA-N 1 0 324.350 3.512 10 0 DHAERO Cc1ccc([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c(C)c1 ZINC000675055518 563909931 /nfs/dbraw/zinc/90/99/31/563909931.db2.gz UXAZYMRDWDAJKZ-GOEBONIOSA-N 1 0 304.434 3.703 10 0 DHAERO C[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010474706 563927839 /nfs/dbraw/zinc/92/78/39/563927839.db2.gz XTNOJALBAMHBIY-UHFFFAOYSA-N 1 0 306.203 3.748 10 0 DHAERO CC(C)c1noc([C@H]([NH2+]C2CCCCC2)C2CCOCC2)n1 ZINC000328624472 563929964 /nfs/dbraw/zinc/92/99/64/563929964.db2.gz JYLBOFNTFMASRK-OAHLLOKOSA-N 1 0 307.438 3.583 10 0 DHAERO Brc1ccsc1[C@@H]1NCCc2sccc21 ZINC000397207398 568414975 /nfs/dbraw/zinc/41/49/75/568414975.db2.gz UZFCZRBXEFNXKR-SNVBAGLBSA-N 1 0 300.246 3.807 10 0 DHAERO Cc1ccc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1C ZINC000675055394 568420038 /nfs/dbraw/zinc/42/00/38/568420038.db2.gz RXLJERHJRMLCCP-CVEARBPZSA-N 1 0 304.434 3.621 10 0 DHAERO Cc1ccc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1C ZINC000675055405 568420067 /nfs/dbraw/zinc/42/00/67/568420067.db2.gz RXLJERHJRMLCCP-JKSUJKDBSA-N 1 0 304.434 3.621 10 0 DHAERO COc1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1OC ZINC000092788749 1032511204 /nfs/dbraw/zinc/51/12/04/1032511204.db2.gz KVMGNAWJAPTVGK-CQSZACIVSA-N 1 0 318.442 3.540 10 0 DHAERO COc1ccc(-c2nc(C3CC3)c(C[NH2+]C3CC3)s2)cc1 ZINC000082436702 185182531 /nfs/dbraw/zinc/18/25/31/185182531.db2.gz VJYDXHRGKTYFDN-UHFFFAOYSA-N 1 0 300.427 3.948 10 0 DHAERO COc1cc([C@H]([NH3+])C2CCCC2)c(OC)cc1Br ZINC000083256159 185221614 /nfs/dbraw/zinc/22/16/14/185221614.db2.gz FIUAFYKSDHFZGU-CQSZACIVSA-N 1 0 314.223 3.656 10 0 DHAERO COCCC1(C[NH2+][C@@H](Cc2ccccc2OC)C(C)C)CC1 ZINC000090535461 185301404 /nfs/dbraw/zinc/30/14/04/185301404.db2.gz WOXNQXQGYDNTIH-KRWDZBQOSA-N 1 0 305.462 3.669 10 0 DHAERO CC[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccs1 ZINC000057245210 334945653 /nfs/dbraw/zinc/94/56/53/334945653.db2.gz PEWXQHQWYKNIQC-CYBMUJFWSA-N 1 0 323.506 3.808 10 0 DHAERO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000072535541 191188440 /nfs/dbraw/zinc/18/84/40/191188440.db2.gz WIVIGQDUIRNSCB-STQMWFEESA-N 1 0 318.367 3.951 10 0 DHAERO C[N@@H+](CCc1ccccc1)CC[C@H](O)c1ccc(Cl)cc1 ZINC000002017626 180906273 /nfs/dbraw/zinc/90/62/73/180906273.db2.gz WRNSAGBRCPXKTH-SFHVURJKSA-N 1 0 303.833 3.938 10 0 DHAERO CCCN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CC(C)C)C[C@@H]1C ZINC000073654298 191337358 /nfs/dbraw/zinc/33/73/58/191337358.db2.gz KJJWJAXSBXZGCI-HOTGVXAUSA-N 1 0 312.498 4.000 10 0 DHAERO C[C@H]1C[C@@H]([NH2+]C(C)(C)C)CCN1C(=O)OCc1ccccc1 ZINC000073657116 191338464 /nfs/dbraw/zinc/33/84/64/191338464.db2.gz GWVBCAIXEQPTDQ-HOCLYGCPSA-N 1 0 304.434 3.564 10 0 DHAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Nc2nc(C)cs2)cc1 ZINC000236909574 202066119 /nfs/dbraw/zinc/06/61/19/202066119.db2.gz MPESMTJISPXACW-IINYFYTJSA-N 1 0 318.446 3.507 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000236938380 202080525 /nfs/dbraw/zinc/08/05/25/202080525.db2.gz FEOKCJHCTBQOND-CYBMUJFWSA-N 1 0 317.260 3.515 10 0 DHAERO CCC[C@H]([NH3+])C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000236917786 202069740 /nfs/dbraw/zinc/06/97/40/202069740.db2.gz QXXBMLITKMNLFF-UONOGXRCSA-N 1 0 316.367 3.646 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000236985500 202107929 /nfs/dbraw/zinc/10/79/29/202107929.db2.gz KJQHQGOSEOQSKO-MOPGFXCFSA-N 1 0 310.441 3.604 10 0 DHAERO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733135 192851910 /nfs/dbraw/zinc/85/19/10/192851910.db2.gz JOUGIMLOLSYPGG-JFIYKMOQSA-N 1 0 322.456 3.592 10 0 DHAERO Cc1ccc2c(c1)[C@@H]([NH3+])CC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000091302967 193035545 /nfs/dbraw/zinc/03/55/45/193035545.db2.gz KGAVNJKNZBBSRY-INIZCTEOSA-N 1 0 316.445 3.667 10 0 DHAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)cc2)c(OC)c1 ZINC000019414990 182122454 /nfs/dbraw/zinc/12/24/54/182122454.db2.gz QGFNDQPNRKQLOY-HNNXBMFYSA-N 1 0 322.202 3.514 10 0 DHAERO CN(c1ccccc1)[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000019424899 182122790 /nfs/dbraw/zinc/12/27/90/182122790.db2.gz HELCUJYFQRGIMK-HNNXBMFYSA-N 1 0 323.209 3.724 10 0 DHAERO COc1ccc(OC)c([C@H]([NH3+])c2cccc(Br)c2)c1 ZINC000019967653 182171371 /nfs/dbraw/zinc/17/13/71/182171371.db2.gz HFZUCAFLDZJETN-OAHLLOKOSA-N 1 0 322.202 3.514 10 0 DHAERO [NH3+][C@@H](c1ccc(F)cc1F)c1cc(F)ccc1Br ZINC000019968920 182171492 /nfs/dbraw/zinc/17/14/92/182171492.db2.gz GLEMLWVEHJZXIO-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO COCCc1ccc([C@H]([NH3+])c2cccc(Br)c2)cc1 ZINC000019970934 182171594 /nfs/dbraw/zinc/17/15/94/182171594.db2.gz NLVWUZCGCMORAE-INIZCTEOSA-N 1 0 320.230 3.686 10 0 DHAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1cc(Br)ccc1Br ZINC000019969153 182171636 /nfs/dbraw/zinc/17/16/36/182171636.db2.gz WKLLUROBLZILKX-CDOJRTKCSA-N 1 0 319.040 3.867 10 0 DHAERO [NH3+][C@H](c1ccc(F)c(F)c1)c1cc(Br)ccc1F ZINC000019968494 182171691 /nfs/dbraw/zinc/17/16/91/182171691.db2.gz LLFBXDJLZUTZOW-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO [NH3+][C@H](c1ccc(F)cc1F)c1ccc(F)cc1Br ZINC000019968897 182171823 /nfs/dbraw/zinc/17/18/23/182171823.db2.gz YMBBLCOZKNIASP-ZDUSSCGKSA-N 1 0 316.120 3.915 10 0 DHAERO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000020022621 182179599 /nfs/dbraw/zinc/17/95/99/182179599.db2.gz VHNYYBLRWFKSSN-HNNXBMFYSA-N 1 0 321.207 3.646 10 0 DHAERO Cc1cc(C)c([C@H](C[NH3+])N2CCc3sccc3C2)c(C)c1 ZINC000020081691 182185225 /nfs/dbraw/zinc/18/52/25/182185225.db2.gz NTUTWWHEXYLUBI-INIZCTEOSA-N 1 0 300.471 3.731 10 0 DHAERO CCCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccccc3C)CC[C@@H]21 ZINC000020293543 182203287 /nfs/dbraw/zinc/20/32/87/182203287.db2.gz XUTOANPQKLQELI-MOPGFXCFSA-N 1 0 314.473 3.608 10 0 DHAERO COc1ccc([C@@H]([NH3+])Cc2ccc(F)cc2)cc1Br ZINC000020522160 182227288 /nfs/dbraw/zinc/22/72/88/182227288.db2.gz GSXOTUJHJAMDSI-AWEZNQCLSA-N 1 0 324.193 3.839 10 0 DHAERO CCCOc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1OC ZINC000020931115 182255384 /nfs/dbraw/zinc/25/53/84/182255384.db2.gz OPXOGHGUGQZHHD-UHFFFAOYSA-N 1 0 303.377 3.913 10 0 DHAERO Cc1ccc(CCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(C)c1 ZINC000022696455 182331043 /nfs/dbraw/zinc/33/10/43/182331043.db2.gz BWQIWSUGRREKPK-FQEVSTJZSA-N 1 0 324.468 3.655 10 0 DHAERO CC(C)CNC(=O)c1ccc([C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC000023506952 182362126 /nfs/dbraw/zinc/36/21/26/182362126.db2.gz NLUGFMMFXXKKMG-CQSZACIVSA-N 1 0 308.491 3.927 10 0 DHAERO [NH3+][C@@H](Cc1ccccn1)c1cc(Br)ccc1Cl ZINC000037288127 182878469 /nfs/dbraw/zinc/87/84/69/182878469.db2.gz DKWJSXTUCIFCNN-ZDUSSCGKSA-N 1 0 311.610 3.740 10 0 DHAERO CCCCOc1ccc(Br)cc1C[C@@H]([NH3+])CC ZINC000037725411 182920551 /nfs/dbraw/zinc/92/05/51/182920551.db2.gz UAQYRSITYRUBIH-ZDUSSCGKSA-N 1 0 300.240 3.908 10 0 DHAERO CC[NH+](CC)CCCn1c(COC)nc2cc(Cl)ccc21 ZINC000040403888 183061543 /nfs/dbraw/zinc/06/15/43/183061543.db2.gz ZZXBOLLWRXYING-UHFFFAOYSA-N 1 0 309.841 3.568 10 0 DHAERO O=C(c1ccccc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000041543925 183201389 /nfs/dbraw/zinc/20/13/89/183201389.db2.gz GXMUDWKDBJHGNF-UHFFFAOYSA-N 1 0 309.409 3.782 10 0 DHAERO Brc1ccccc1-c1ncc(C[NH2+]C2CC2)s1 ZINC000042289021 183249518 /nfs/dbraw/zinc/24/95/18/183249518.db2.gz OJLNDQGPOUELNN-UHFFFAOYSA-N 1 0 309.232 3.825 10 0 DHAERO CC(C)C[C@](C)(C[NH3+])N(C)Cc1cc(Br)cs1 ZINC000042398619 183264464 /nfs/dbraw/zinc/26/44/64/183264464.db2.gz RERKXCAKEAAHKR-CYBMUJFWSA-N 1 0 319.312 3.706 10 0 DHAERO CCC(CC)[C@@H](C[NH3+])N(C)Cc1csc(Br)c1 ZINC000042360976 183258318 /nfs/dbraw/zinc/25/83/18/183258318.db2.gz AWFWOHPVEOVHKS-GFCCVEGCSA-N 1 0 319.312 3.706 10 0 DHAERO CC(C)C[C@H](C)[N@H+](C)[C@@H](CN)c1ccc(Br)cc1 ZINC000042563431 183285480 /nfs/dbraw/zinc/28/54/80/183285480.db2.gz DMDDLJGPXFBGDP-WFASDCNBSA-N 1 0 313.283 3.815 10 0 DHAERO CC(C)N(CC1CC1)[C@H](C[NH3+])c1ccccc1Br ZINC000042580507 183286792 /nfs/dbraw/zinc/28/67/92/183286792.db2.gz LPKQHSQSOYIAGQ-OAHLLOKOSA-N 1 0 311.267 3.569 10 0 DHAERO CC(C)[N@H+](CC1CC1)[C@H](CN)c1cc(Br)cs1 ZINC000042580569 183287051 /nfs/dbraw/zinc/28/70/51/183287051.db2.gz VTZZNOBIPYELMD-GFCCVEGCSA-N 1 0 317.296 3.631 10 0 DHAERO C[C@H](CN1CCCC1)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000042597312 183289509 /nfs/dbraw/zinc/28/95/09/183289509.db2.gz VNMNZPXISAUVLZ-CHWSQXEVSA-N 1 0 311.267 3.584 10 0 DHAERO CN(Cc1cscn1)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000042863500 183315063 /nfs/dbraw/zinc/31/50/63/183315063.db2.gz MYLQFRSTZVEFMK-GFCCVEGCSA-N 1 0 316.257 3.582 10 0 DHAERO CCC[NH+](CCC)[C@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952088 183320403 /nfs/dbraw/zinc/32/04/03/183320403.db2.gz ZYZOVBFLMSKELB-DOMZBBRYSA-N 1 0 313.283 3.959 10 0 DHAERO CCCCCN(C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952963 183321847 /nfs/dbraw/zinc/32/18/47/183321847.db2.gz HKJRCEKGSWNLEL-DOMZBBRYSA-N 1 0 313.283 3.959 10 0 DHAERO CC(C)CCO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042957186 183322755 /nfs/dbraw/zinc/32/27/55/183322755.db2.gz GJQOVUNKXYRENS-BXUZGUMPSA-N 1 0 300.240 3.900 10 0 DHAERO COc1ccc([C@H](C[NH3+])Oc2ccccc2Br)cc1 ZINC000042963326 183324432 /nfs/dbraw/zinc/32/44/32/183324432.db2.gz MWBYGNLXCMFWCE-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO Cc1cccc([C@H](C[NH3+])Oc2ccccc2Br)c1 ZINC000042968701 183324515 /nfs/dbraw/zinc/32/45/15/183324515.db2.gz ZUCDJKICLJITTC-HNNXBMFYSA-N 1 0 306.203 3.836 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)Cc1ccco1 ZINC000043020508 183328525 /nfs/dbraw/zinc/32/85/25/183328525.db2.gz RXWBBZUXECHAHB-NHYWBVRUSA-N 1 0 323.234 3.562 10 0 DHAERO [NH3+]C[C@H](SCc1ccco1)c1ccccc1Br ZINC000043096126 183337374 /nfs/dbraw/zinc/33/73/74/183337374.db2.gz CYPXQDQTYLWCLG-ZDUSSCGKSA-N 1 0 312.232 3.975 10 0 DHAERO COc1ccccc1[C@H](C[NH3+])Oc1cccc(Br)c1 ZINC000043099238 183337996 /nfs/dbraw/zinc/33/79/96/183337996.db2.gz SGHJKZPJEBVYMS-HNNXBMFYSA-N 1 0 322.202 3.537 10 0 DHAERO CCCCN(C)[C@H](c1ccccc1Br)[C@H]([NH3+])CC ZINC000043090947 183335628 /nfs/dbraw/zinc/33/56/28/183335628.db2.gz WNJGBURUARDALO-HUUCEWRRSA-N 1 0 313.283 3.959 10 0 DHAERO CCN(CC(C)C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091360 183335912 /nfs/dbraw/zinc/33/59/12/183335912.db2.gz YAEYPDVEFDHFBY-DOMZBBRYSA-N 1 0 313.283 3.815 10 0 DHAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1)c1ccccc1Br ZINC000043094351 183336473 /nfs/dbraw/zinc/33/64/73/183336473.db2.gz MJOJLCXNLPIRAO-IAQYHMDHSA-N 1 0 306.203 3.916 10 0 DHAERO CC(C)(C)c1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104974907 194060027 /nfs/dbraw/zinc/06/00/27/194060027.db2.gz AECOQICAFMZDKM-HNNXBMFYSA-N 1 0 315.461 3.686 10 0 DHAERO CC(C)c1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104972843 194060214 /nfs/dbraw/zinc/06/02/14/194060214.db2.gz PBXHKYGPUPOZIC-HNNXBMFYSA-N 1 0 301.434 3.512 10 0 DHAERO CC(C)[N@H+](CCOc1ccc(Br)cc1)CC1CC1 ZINC000047861647 183606637 /nfs/dbraw/zinc/60/66/37/183606637.db2.gz UYIUPQAYQTVJCH-UHFFFAOYSA-N 1 0 312.251 3.948 10 0 DHAERO CC[C@@H](CCOc1cccc(Br)c1)[C@H](C)[NH2+]C ZINC000049597011 183745936 /nfs/dbraw/zinc/74/59/36/183745936.db2.gz RZZFSDZCJKCPSS-RYUDHWBXSA-N 1 0 300.240 3.852 10 0 DHAERO CC[C@H](C)[C@@](C)([NH3+])Cc1ccc(OC)c(Br)c1 ZINC000049598038 183746199 /nfs/dbraw/zinc/74/61/99/183746199.db2.gz DKFXKNDRWNTLRO-HZMBPMFUSA-N 1 0 300.240 3.764 10 0 DHAERO CCC[C@H](Cc1ccc(OC)c(Br)c1)[NH2+]CC ZINC000049599631 183746988 /nfs/dbraw/zinc/74/69/88/183746988.db2.gz YEQGOKYOOGQMAK-GFCCVEGCSA-N 1 0 300.240 3.778 10 0 DHAERO CC(C)C[NH2+]C[C@@H](C)N(C)Cc1csc(Br)c1 ZINC000052547529 183863993 /nfs/dbraw/zinc/86/39/93/183863993.db2.gz POMCVGALWAWWJH-LLVKDONJSA-N 1 0 319.312 3.577 10 0 DHAERO [NH3+][C@@H](Cc1cccs1)Cc1ccc(F)c(Br)c1 ZINC000052900443 183879580 /nfs/dbraw/zinc/87/95/80/183879580.db2.gz BWAJPNVUNSWVEA-SNVBAGLBSA-N 1 0 314.223 3.762 10 0 DHAERO CC[C@H](C[NH2+]C1CC1)Cc1ccc(F)c(Br)c1 ZINC000052973828 183882527 /nfs/dbraw/zinc/88/25/27/183882527.db2.gz ZDRUOKJFVDHBCG-JTQLQIEISA-N 1 0 300.215 3.909 10 0 DHAERO NC(=[NH2+])c1ccc(Sc2cccc(Br)c2)cc1 ZINC000055307890 183978173 /nfs/dbraw/zinc/97/81/73/183978173.db2.gz KEEYHQSSPCMJBP-UHFFFAOYSA-N 1 0 307.216 3.884 10 0 DHAERO Cc1ccc(N[C@H](C[NH3+])c2ccc(Br)cc2)cc1 ZINC000057634100 184042859 /nfs/dbraw/zinc/04/28/59/184042859.db2.gz MPKHKUSZMVEIHE-OAHLLOKOSA-N 1 0 305.219 3.869 10 0 DHAERO Fc1ccc([C@H]2C[NH2+]C3(CCCC3)CO2)cc1Br ZINC000061689693 184182854 /nfs/dbraw/zinc/18/28/54/184182854.db2.gz MQKJENHVOLHHMR-CYBMUJFWSA-N 1 0 314.198 3.562 10 0 DHAERO CCc1c(C)nn(-c2ccc([C@@H](C)[NH3+])cc2Br)c1C ZINC000061698449 184183925 /nfs/dbraw/zinc/18/39/25/184183925.db2.gz UISFLWPVTCSHPR-SECBINFHSA-N 1 0 322.250 3.834 10 0 DHAERO CC1(C)CCN([C@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000061818436 184188393 /nfs/dbraw/zinc/18/83/93/184188393.db2.gz WCKDZBJFFQMIGW-CQSZACIVSA-N 1 0 311.267 3.571 10 0 DHAERO CC[C@@H](C)COc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000062704003 184248734 /nfs/dbraw/zinc/24/87/34/184248734.db2.gz URXFCERPKBQJAF-MNOVXSKESA-N 1 0 300.240 3.764 10 0 DHAERO Cc1cc(Br)ccc1O[C@@H](C[NH3+])c1ccccc1F ZINC000063061739 184268855 /nfs/dbraw/zinc/26/88/55/184268855.db2.gz YFIVTGBHRJXDCH-HNNXBMFYSA-N 1 0 324.193 3.975 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCCC1(C)C ZINC000063065870 184269214 /nfs/dbraw/zinc/26/92/14/184269214.db2.gz WMESFNYDINAOLW-BXUZGUMPSA-N 1 0 311.267 3.712 10 0 DHAERO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000066173581 184394376 /nfs/dbraw/zinc/39/43/76/184394376.db2.gz DRRZFTINBNUORA-INIZCTEOSA-N 1 0 317.477 3.572 10 0 DHAERO C[C@H]1CC(C[NH2+]Cc2sccc2Br)C[C@H](C)O1 ZINC000282192644 130905774 /nfs/dbraw/zinc/90/57/74/130905774.db2.gz KVFBEFGLAUVTAP-UWVGGRQHSA-N 1 0 318.280 3.804 10 0 DHAERO CC[NH2+][C@H]1CCN(c2cc(Br)ccc2F)[C@H](C)C1 ZINC000049711337 134757620 /nfs/dbraw/zinc/75/76/20/134757620.db2.gz FBUFMEWFYNNCOH-PWSUYJOCSA-N 1 0 315.230 3.555 10 0 DHAERO Cc1ccccc1[C@H]([NH2+][C@H](C)CN1CCCC1=O)c1ccccc1 ZINC000175172385 332877330 /nfs/dbraw/zinc/87/73/30/332877330.db2.gz KFOGEIGTABFQJL-DYESRHJHSA-N 1 0 322.452 3.685 10 0 DHAERO C[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000037808151 331586772 /nfs/dbraw/zinc/58/67/72/331586772.db2.gz NWPDKDYGTLZNCX-LBPRGKRZSA-N 1 0 302.805 3.632 10 0 DHAERO CC[NH2+]Cc1cccc(NC(=O)c2ccccc2SC)c1 ZINC000092231755 331919452 /nfs/dbraw/zinc/91/94/52/331919452.db2.gz ZSNOHZOUFKFSGT-UHFFFAOYSA-N 1 0 300.427 3.770 10 0 DHAERO C[C@H](NC(=O)C1(C[NH3+])CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000127909660 332008959 /nfs/dbraw/zinc/00/89/59/332008959.db2.gz NXNKXVZRTBSXIB-JTQLQIEISA-N 1 0 315.244 3.690 10 0 DHAERO CC(C)[C@H]([NH3+])CCN(C)Cc1cc(Cl)ccc1OC(F)F ZINC000128501583 332012836 /nfs/dbraw/zinc/01/28/36/332012836.db2.gz HINWQRAXGZNLBS-CYBMUJFWSA-N 1 0 320.811 3.747 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCc2cccs2)C1 ZINC000129938093 332020952 /nfs/dbraw/zinc/02/09/52/332020952.db2.gz NCOFSAPJIHLLIG-CQSZACIVSA-N 1 0 324.490 3.527 10 0 DHAERO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130037517 332022268 /nfs/dbraw/zinc/02/22/68/332022268.db2.gz OTUXUFDNDMOTEX-LRDDRELGSA-N 1 0 302.805 3.923 10 0 DHAERO Cc1ccc([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)cc1F ZINC000088353352 332050252 /nfs/dbraw/zinc/05/02/52/332050252.db2.gz IPMBCLGMTIDSFO-AWEZNQCLSA-N 1 0 314.404 3.687 10 0 DHAERO c1ccc(-c2cccc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)c2)nc1 ZINC000091979152 332098904 /nfs/dbraw/zinc/09/89/04/332098904.db2.gz QGMVBKDPWOJTTI-VQTJNVASSA-N 1 0 308.425 3.892 10 0 DHAERO CC[C@@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)c1cccs1 ZINC000049529595 332315401 /nfs/dbraw/zinc/31/54/01/332315401.db2.gz JYEKGRNUVRRGSN-KGLIPLIRSA-N 1 0 300.427 3.897 10 0 DHAERO Cc1sc2nc(C)nc(NC[C@@H]3CCC[C@H]([NH3+])C3)c2c1C ZINC000261794188 332371232 /nfs/dbraw/zinc/37/12/32/332371232.db2.gz YDBGNMZQIBOOQQ-OLZOCXBDSA-N 1 0 304.463 3.546 10 0 DHAERO Cc1sc2nc(C)nc(NC[C@H]3CCC[C@H]([NH3+])C3)c2c1C ZINC000261794192 332371304 /nfs/dbraw/zinc/37/13/04/332371304.db2.gz YDBGNMZQIBOOQQ-STQMWFEESA-N 1 0 304.463 3.546 10 0 DHAERO c1ncn([C@@H]2CCC[N@@H+](CC3CCC(c4ccccc4)CC3)C2)n1 ZINC000189013619 333060724 /nfs/dbraw/zinc/06/07/24/333060724.db2.gz HSUWFJBDNYQTGM-LYBXBRPPSA-N 1 0 324.472 3.889 10 0 DHAERO Cc1cc(F)ccc1-c1ccc(C[NH+]2CCC([C@H](C)O)CC2)o1 ZINC000092970034 333155659 /nfs/dbraw/zinc/15/56/59/333155659.db2.gz IFBOITOUIQFNLW-AWEZNQCLSA-N 1 0 317.404 3.987 10 0 DHAERO CCc1nc(C)c([C@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)s1 ZINC000188660686 333384491 /nfs/dbraw/zinc/38/44/91/333384491.db2.gz SWEDJYDTEQXDSI-YVEFUNNKSA-N 1 0 310.507 3.996 10 0 DHAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000228487964 333387132 /nfs/dbraw/zinc/38/71/32/333387132.db2.gz DCSJXQVQORQPFF-HYVNUMGLSA-N 1 0 311.828 3.995 10 0 DHAERO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000021035892 333412838 /nfs/dbraw/zinc/41/28/38/333412838.db2.gz FIVAEGIGCQSPRI-HERUPUMHSA-N 1 0 313.228 3.853 10 0 DHAERO C[NH+](C)C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000052567351 335796102 /nfs/dbraw/zinc/79/61/02/335796102.db2.gz VDCFRAVEANYNBG-MRXNPFEDSA-N 1 0 320.795 3.512 10 0 DHAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000102683807 335929760 /nfs/dbraw/zinc/92/97/60/335929760.db2.gz FGJQWHQTQQMPGW-ZDUSSCGKSA-N 1 0 315.417 3.570 10 0 DHAERO CCC[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[NH+](C)C ZINC000179333293 335954439 /nfs/dbraw/zinc/95/44/39/335954439.db2.gz AVOONFXKVFJULJ-NSHDSACASA-N 1 0 320.767 3.610 10 0 DHAERO C[C@@H]1CCN(C(=O)Nc2cccc(C3CCC3)c2)[C@@H](C[NH3+])C1 ZINC000333099141 336197982 /nfs/dbraw/zinc/19/79/82/336197982.db2.gz ANZZIGQVBFWNNS-CXAGYDPISA-N 1 0 301.434 3.545 10 0 DHAERO CC(C)(C[C@H]1CCC[N@@H+]([C@@H]2CCOC3(CCC3)C2)C1)C(N)=O ZINC000333288504 336201132 /nfs/dbraw/zinc/20/11/32/336201132.db2.gz ZOJWVRZYTUHUOP-HUUCEWRRSA-N 1 0 308.466 3.752 10 0 DHAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)Nc3ccccc32)c2ccccc2O1 ZINC000333708047 336208607 /nfs/dbraw/zinc/20/86/07/336208607.db2.gz PHFYGVYNRSMNNX-FSPWUOQZSA-N 1 0 322.408 3.962 10 0 DHAERO C[C@@H]([NH2+]CCC(C)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000379180796 336258693 /nfs/dbraw/zinc/25/86/93/336258693.db2.gz PAJATNUZYKEWGP-CHWSQXEVSA-N 1 0 320.424 3.657 10 0 DHAERO Clc1ccc2c(c1)nccc2N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000301224409 336295519 /nfs/dbraw/zinc/29/55/19/336295519.db2.gz FJAZTGIEGYDDJN-CQSZACIVSA-N 1 0 301.821 3.563 10 0 DHAERO COc1ccc([C@@H]2[C@@H](CNc3ccccn3)CCC[N@@H+]2C)cc1 ZINC000301275730 336298282 /nfs/dbraw/zinc/29/82/82/336298282.db2.gz ISSXUZWLDQAEBR-VQIMIIECSA-N 1 0 311.429 3.585 10 0 DHAERO Cc1cncc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000193056078 336305043 /nfs/dbraw/zinc/30/50/43/336305043.db2.gz UVPMGORQZGMBOI-SEJPIABJSA-N 1 0 321.468 3.675 10 0 DHAERO CCS[C@@H]1CC[C@@]1(O)CNc1cc(C)[nH+]c2ccccc12 ZINC000301484285 336309703 /nfs/dbraw/zinc/30/97/03/336309703.db2.gz GOZYWJNAMUCDOQ-IAGOWNOFSA-N 1 0 302.443 3.602 10 0 DHAERO Cc1cc(N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c2cc(F)ccc2[nH+]1 ZINC000301672997 336322644 /nfs/dbraw/zinc/32/26/44/336322644.db2.gz OQFXCUBWHFIZRQ-XWIAVFTESA-N 1 0 314.404 3.932 10 0 DHAERO Cc1cc(N2CCC([N@H+]3CCC[C@H]3C)CC2)c2ccccc2[nH+]1 ZINC000301779759 336329270 /nfs/dbraw/zinc/32/92/70/336329270.db2.gz MROGQAIYGWQJLZ-MRXNPFEDSA-N 1 0 309.457 3.996 10 0 DHAERO O[C@@H]1CCC[C@H]1CNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000301798330 336330692 /nfs/dbraw/zinc/33/06/92/336330692.db2.gz RBAFNVRMRGFSSZ-ZUZCIYMTSA-N 1 0 310.319 3.827 10 0 DHAERO CC(C)(C)c1nsc(N2CCC[C@H]([NH+]3CCCCCC3)C2)n1 ZINC000302552329 336361443 /nfs/dbraw/zinc/36/14/43/336361443.db2.gz WLSSLYQZUOYDGE-AWEZNQCLSA-N 1 0 322.522 3.680 10 0 DHAERO CCCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000193357605 336701475 /nfs/dbraw/zinc/70/14/75/336701475.db2.gz BCYDNUVUPAIVLD-YPMHNXCESA-N 1 0 320.260 3.822 10 0 DHAERO CCn1cnnc1C1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000171644055 337087027 /nfs/dbraw/zinc/08/70/27/337087027.db2.gz XSVCVSSWIVWNQY-CYBMUJFWSA-N 1 0 318.852 3.892 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@H+](CCc3ccccc3Cl)C2)no1 ZINC000171403142 337087181 /nfs/dbraw/zinc/08/71/81/337087181.db2.gz KLZACJPEZAHJRW-AWEZNQCLSA-N 1 0 319.836 3.529 10 0 DHAERO COc1cccc([C@H](C)[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000175652718 337146920 /nfs/dbraw/zinc/14/69/20/337146920.db2.gz YGFDPNIAEJFCQD-KSSFIOAISA-N 1 0 313.445 3.944 10 0 DHAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(SC(C)C)cc1 ZINC000177028614 337152809 /nfs/dbraw/zinc/15/28/09/337152809.db2.gz RNFFONCOMKJLQA-INIZCTEOSA-N 1 0 320.502 3.743 10 0 DHAERO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000177418103 337155904 /nfs/dbraw/zinc/15/59/04/337155904.db2.gz PFAJCGXLCVYCEX-RTBURBONSA-N 1 0 318.505 3.726 10 0 DHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C ZINC000180119802 337171425 /nfs/dbraw/zinc/17/14/25/337171425.db2.gz FOSPXIKOBKYKTB-KRWDZBQOSA-N 1 0 301.409 3.822 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1ccc(C)cc1 ZINC000180648075 337176903 /nfs/dbraw/zinc/17/69/03/337176903.db2.gz NMAOEGKTPNHTTJ-SJORKVTESA-N 1 0 312.461 3.766 10 0 DHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[C@@H](C)c3ccccc31)CC2 ZINC000180647368 337176978 /nfs/dbraw/zinc/17/69/78/337176978.db2.gz SYUCYCKTVGDEDP-IIDMSEBBSA-N 1 0 324.472 3.945 10 0 DHAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000181358994 337181576 /nfs/dbraw/zinc/18/15/76/337181576.db2.gz ZYYKQDZMFBEGGT-QZTJIDSGSA-N 1 0 305.462 3.684 10 0 DHAERO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000182062263 337186085 /nfs/dbraw/zinc/18/60/85/337186085.db2.gz LKXMXVYCMRKCAP-UGSOOPFHSA-N 1 0 315.388 3.966 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3sccc32)C12CCOCC2 ZINC000186509278 337257228 /nfs/dbraw/zinc/25/72/28/337257228.db2.gz PDGPOQUNBCYZIF-HYVNUMGLSA-N 1 0 321.486 3.689 10 0 DHAERO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCS[C@H](C)C1 ZINC000186933989 337260557 /nfs/dbraw/zinc/26/05/57/337260557.db2.gz NLUUCYXKTYLNRF-CQSZACIVSA-N 1 0 314.454 3.695 10 0 DHAERO Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)c(C)n1 ZINC000187101382 337262462 /nfs/dbraw/zinc/26/24/62/337262462.db2.gz CWLANMABWIKAPY-PMACEKPBSA-N 1 0 310.441 3.787 10 0 DHAERO FC(F)(F)C(F)(F)COCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000189332899 337278681 /nfs/dbraw/zinc/27/86/81/337278681.db2.gz JDIJKJZOJNMQIX-SNVBAGLBSA-N 1 0 313.266 3.631 10 0 DHAERO Cn1c(C[N@@H+]2CCCC3(CCCCC3)CC2)nnc1C1CC1 ZINC000190316426 337286585 /nfs/dbraw/zinc/28/65/85/337286585.db2.gz QCNCGFDYCMMJEP-UHFFFAOYSA-N 1 0 302.466 3.629 10 0 DHAERO C[C@H]([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H]1CCCO1 ZINC000193126749 337308478 /nfs/dbraw/zinc/30/84/78/337308478.db2.gz UGPRTELDHNDQGN-ZBEGNZNMSA-N 1 0 306.793 3.652 10 0 DHAERO C[C@@H]([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H]1CCCO1 ZINC000193126762 337308517 /nfs/dbraw/zinc/30/85/17/337308517.db2.gz UGPRTELDHNDQGN-BZNIZROVSA-N 1 0 306.793 3.652 10 0 DHAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1CCCc1ccc2c(c1)CCO2 ZINC000193250981 337309531 /nfs/dbraw/zinc/30/95/31/337309531.db2.gz DVVNZUIFJSUITD-GOSISDBHSA-N 1 0 311.429 3.504 10 0 DHAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000036325272 337353081 /nfs/dbraw/zinc/35/30/81/337353081.db2.gz BRTYGHSLFHMYNK-NEPJUHHUSA-N 1 0 301.308 3.626 10 0 DHAERO CNc1ccc(Br)cc1[C@@H]1[NH2+]CCc2ccccc21 ZINC000584592912 337373533 /nfs/dbraw/zinc/37/35/33/337373533.db2.gz ASSWTFDJKFXUSR-MRXNPFEDSA-N 1 0 317.230 3.726 10 0 DHAERO C[NH+](C)CCN1c2ccccc2[C@@H](c2ccccc2)CCC1=O ZINC000584626593 337376056 /nfs/dbraw/zinc/37/60/56/337376056.db2.gz UDGDCXKOTFQMGB-QGZVFWFLSA-N 1 0 308.425 3.507 10 0 DHAERO CC(C)Oc1cc(C2CC[NH+](C(C)C)CC2)ccc1NC=O ZINC000584656038 337377897 /nfs/dbraw/zinc/37/78/97/337377897.db2.gz ZJPZJKLSMCNCEB-UHFFFAOYSA-N 1 0 304.434 3.630 10 0 DHAERO CCOC(=O)C[C@H]([NH3+])CCCc1ccccc1-c1ccccc1 ZINC000584661222 337378352 /nfs/dbraw/zinc/37/83/52/337378352.db2.gz OJPXOROXTHKRGW-GOSISDBHSA-N 1 0 311.425 3.957 10 0 DHAERO CN1CCc2c1ccc1c2C[N@H+](C)C[C@H]1c1cc(F)cc(F)c1 ZINC000584662273 337378470 /nfs/dbraw/zinc/37/84/70/337378470.db2.gz WMKWOTNPFLAFPU-KRWDZBQOSA-N 1 0 314.379 3.534 10 0 DHAERO CC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000584637153 337379385 /nfs/dbraw/zinc/37/93/85/337379385.db2.gz YGJDNTHRMJACHN-WOJBJXKFSA-N 1 0 309.409 3.564 10 0 DHAERO CC1(C)OC2(CC[NH+](Cc3ccccc3)CC2)c2ncccc21 ZINC000584649516 337380481 /nfs/dbraw/zinc/38/04/81/337380481.db2.gz AARJFVNGLINBAY-UHFFFAOYSA-N 1 0 308.425 3.838 10 0 DHAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000035018868 337392524 /nfs/dbraw/zinc/39/25/24/337392524.db2.gz ZACCSMSLYUEFJW-UWVGGRQHSA-N 1 0 303.233 3.559 10 0 DHAERO CCn1cc(C2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)cn1 ZINC000195499686 337467160 /nfs/dbraw/zinc/46/71/60/337467160.db2.gz FFNYRKVBTCUUFN-AWEZNQCLSA-N 1 0 301.409 3.983 10 0 DHAERO C[C@@H]1C[C@H]1[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000261844815 337611509 /nfs/dbraw/zinc/61/15/09/337611509.db2.gz VEZXUOOSLYHGRX-CMFIYONCSA-N 1 0 320.864 3.528 10 0 DHAERO Cc1cccc([C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C(C)(C)C)c1 ZINC000261868820 337611894 /nfs/dbraw/zinc/61/18/94/337611894.db2.gz XPVLBVCGTDPVCA-BRWVUGGUSA-N 1 0 302.462 3.573 10 0 DHAERO [NH3+]C1(c2noc([C@@H]3C[C@H]3c3c(F)cccc3Cl)n2)CCCC1 ZINC000261911928 337612437 /nfs/dbraw/zinc/61/24/37/337612437.db2.gz ZXDBMKKDMVIZEV-NXEZZACHSA-N 1 0 321.783 3.861 10 0 DHAERO C[NH2+]CCC1CCN(C(=O)CC(C)(C)c2ccc(C)cc2)CC1 ZINC000261995374 337613803 /nfs/dbraw/zinc/61/38/03/337613803.db2.gz FNMCBCYHSZJUJD-UHFFFAOYSA-N 1 0 316.489 3.511 10 0 DHAERO Cc1ccc([C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c2ccccc2)cc1 ZINC000262011459 337614296 /nfs/dbraw/zinc/61/42/96/337614296.db2.gz WRVOYSFXZLYWBI-ZVDOUQERSA-N 1 0 322.452 3.718 10 0 DHAERO CC(C)Sc1ccc(Cl)cc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262031559 337614571 /nfs/dbraw/zinc/61/45/71/337614571.db2.gz FBTCUTMYIZYZAZ-JTQLQIEISA-N 1 0 312.866 3.635 10 0 DHAERO C[C@H](C(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1)C1C[NH2+]C1 ZINC000262256997 337616227 /nfs/dbraw/zinc/61/62/27/337616227.db2.gz TYAHFCMIOLRAHX-IRXDYDNUSA-N 1 0 322.452 3.632 10 0 DHAERO Cc1cc(C)cc(Oc2ccc(NC(=O)[C@H](C)C3C[NH2+]C3)cc2)c1 ZINC000262351714 337617188 /nfs/dbraw/zinc/61/71/88/337617188.db2.gz GKKTWZDGYNXOGV-OAHLLOKOSA-N 1 0 324.424 3.890 10 0 DHAERO C[C@@H]1CC(C[NH2+]Cc2ccsc2Br)C[C@@H](C)O1 ZINC000527701878 337757612 /nfs/dbraw/zinc/75/76/12/337757612.db2.gz BEJPPCYNDVTMNA-NXEZZACHSA-N 1 0 318.280 3.804 10 0 DHAERO C[C@@H]([NH2+]CC(=O)NCc1cccs1)c1ccc2ccccc2c1 ZINC000120043215 337869964 /nfs/dbraw/zinc/86/99/64/337869964.db2.gz ZNCXBKZMJSUJNA-CQSZACIVSA-N 1 0 324.449 3.868 10 0 DHAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000120432299 337873916 /nfs/dbraw/zinc/87/39/16/337873916.db2.gz KNUBUTXSYBMCSX-CQSZACIVSA-N 1 0 312.413 3.547 10 0 DHAERO C[C@H]([NH2+]Cc1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000149727043 338120234 /nfs/dbraw/zinc/12/02/34/338120234.db2.gz IXGIVWFLCTYYJC-TVQRCGJNSA-N 1 0 318.642 3.760 10 0 DHAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000150822109 338148944 /nfs/dbraw/zinc/14/89/44/338148944.db2.gz GLQBLQAZZSIRQQ-LRDDRELGSA-N 1 0 304.821 3.529 10 0 DHAERO CC/C=C\CC[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000434494712 338218578 /nfs/dbraw/zinc/21/85/78/338218578.db2.gz PSNXFWTZJZEXFI-KJPDOMRESA-N 1 0 307.507 3.562 10 0 DHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000153798370 338231254 /nfs/dbraw/zinc/23/12/54/338231254.db2.gz PNHBOOMYRFEZGY-IACUBPJLSA-N 1 0 310.507 3.951 10 0 DHAERO C[C@H]([NH2+]CCc1cncn1C)c1c(Cl)ccc(F)c1Cl ZINC000401763406 340182766 /nfs/dbraw/zinc/18/27/66/340182766.db2.gz DOJXWBMHWDARSA-VIFPVBQESA-N 1 0 316.207 3.759 10 0 DHAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000300414396 340225414 /nfs/dbraw/zinc/22/54/14/340225414.db2.gz LJWYEGDUTFCDLQ-UVBJJODRSA-N 1 0 324.262 3.577 10 0 DHAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000173828124 340375167 /nfs/dbraw/zinc/37/51/67/340375167.db2.gz SSXVGQPZGKZVGA-GOEBONIOSA-N 1 0 321.465 3.555 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(C)c2)C12CCOCC2 ZINC000186504035 340513742 /nfs/dbraw/zinc/51/37/42/340513742.db2.gz AWDROXVSOQPHEF-DLBZAZTESA-N 1 0 323.864 3.712 10 0 DHAERO C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000189312204 340533621 /nfs/dbraw/zinc/53/36/21/340533621.db2.gz UGWQJXNQZQUITQ-APPZFPTMSA-N 1 0 316.150 3.957 10 0 DHAERO C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccc(Cl)cc1 ZINC000229405295 340613478 /nfs/dbraw/zinc/61/34/78/340613478.db2.gz GQHARJXETCXIES-ZDUSSCGKSA-N 1 0 308.853 3.817 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000250394252 340613857 /nfs/dbraw/zinc/61/38/57/340613857.db2.gz YKDBTKSPEVXRFA-IUODEOHRSA-N 1 0 300.368 3.840 10 0 DHAERO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000134867511 341225609 /nfs/dbraw/zinc/22/56/09/341225609.db2.gz CKOXRJUMXOYZMZ-MRXNPFEDSA-N 1 0 311.441 3.602 10 0 DHAERO C[C@@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000136141554 341253675 /nfs/dbraw/zinc/25/36/75/341253675.db2.gz JBVCEXPZXVXILR-MEBBXXQBSA-N 1 0 315.244 3.703 10 0 DHAERO C[C@@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000136140023 341253683 /nfs/dbraw/zinc/25/36/83/341253683.db2.gz DOPHEWZDQRYBJU-MEBBXXQBSA-N 1 0 315.244 3.703 10 0 DHAERO Cc1cc(Cl)ccc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000136181960 341254560 /nfs/dbraw/zinc/25/45/60/341254560.db2.gz LNXCFAPRGAHPBK-UHFFFAOYSA-N 1 0 303.837 3.762 10 0 DHAERO C[C@H]([NH2+]Cc1ccc(Cl)c(Br)c1)[C@@H]1CCCO1 ZINC000137073879 341271879 /nfs/dbraw/zinc/27/18/79/341271879.db2.gz VIBNWFZGGSJPAO-ZANVPECISA-N 1 0 318.642 3.760 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000245471603 341296133 /nfs/dbraw/zinc/29/61/33/341296133.db2.gz OCTKNSWDEBSWCQ-NVXWUHKLSA-N 1 0 313.445 3.819 10 0 DHAERO CCC[C@H](C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000245913235 341318096 /nfs/dbraw/zinc/31/80/96/341318096.db2.gz VYEOEYNDWZBLLF-IEBWSBKVSA-N 1 0 312.461 3.574 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@@H](C)c1ccccc1 ZINC000246257063 341338635 /nfs/dbraw/zinc/33/86/35/341338635.db2.gz KHFUVHZSUZFIKQ-QRQLOZEOSA-N 1 0 314.473 3.656 10 0 DHAERO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246377270 341345691 /nfs/dbraw/zinc/34/56/91/341345691.db2.gz OKEYFYGQQAMJIX-HOCLYGCPSA-N 1 0 304.434 3.596 10 0 DHAERO C[C@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1CCCO1 ZINC000247236782 341362540 /nfs/dbraw/zinc/36/25/40/341362540.db2.gz YRDAMEPOLMCNLQ-XIRDDKMYSA-N 1 0 301.430 3.980 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccccc1OC(F)(F)F ZINC000247967940 341371584 /nfs/dbraw/zinc/37/15/84/341371584.db2.gz GZJUSCMKZNVBBO-WCFLWFBJSA-N 1 0 303.324 3.539 10 0 DHAERO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccncc1 ZINC000248411298 341376903 /nfs/dbraw/zinc/37/69/03/341376903.db2.gz IAGIPILRKZJYBB-NASSWSRMSA-N 1 0 321.468 3.643 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)C12CCOCC2 ZINC000248421591 341377417 /nfs/dbraw/zinc/37/74/17/341377417.db2.gz BWPJYUCJQQFATJ-XWTMOSNGSA-N 1 0 307.478 3.543 10 0 DHAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000248628495 341382210 /nfs/dbraw/zinc/38/22/10/341382210.db2.gz ZITIWCPPVYYTBQ-IKGGRYGDSA-N 1 0 308.510 3.639 10 0 DHAERO C[C@@H]1C[C@@H]1[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000248863816 341388750 /nfs/dbraw/zinc/38/87/50/341388750.db2.gz SLBUUXCEARJNSG-RLCCDNCMSA-N 1 0 324.262 3.915 10 0 DHAERO CCCC1CCC(C[N@@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)CC1 ZINC000248959111 341390839 /nfs/dbraw/zinc/39/08/39/341390839.db2.gz MCQQQWBFPPQBLT-GQGLESIBSA-N 1 0 321.465 3.746 10 0 DHAERO Cc1nc(C[C@H]2CCC[N@@H+](C[C@H]3C(C)=CCC[C@@H]3C)C2)no1 ZINC000249098874 341393841 /nfs/dbraw/zinc/39/38/41/341393841.db2.gz PASHNUDHHNFUIK-UAGQMJEPSA-N 1 0 303.450 3.625 10 0 DHAERO CCN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000249396480 341397079 /nfs/dbraw/zinc/39/70/79/341397079.db2.gz GYEVMGGXODPNKT-ZIAGYGMSSA-N 1 0 315.383 3.748 10 0 DHAERO CCC(=O)N1CC[C@H]([NH2+][C@H](c2ccccc2Cl)C(C)C)C1 ZINC000091371300 341425446 /nfs/dbraw/zinc/42/54/46/341425446.db2.gz XPJOONROSCVQGF-GUYCJALGSA-N 1 0 308.853 3.638 10 0 DHAERO CC(C)[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccccc1Cl ZINC000091398063 341425653 /nfs/dbraw/zinc/42/56/53/341425653.db2.gz SPHWMVVHYLIPNV-SUMWQHHRSA-N 1 0 303.837 3.907 10 0 DHAERO C[C@]1(c2nc(-c3cccc(C(F)(F)F)c3)no2)CCCC[NH2+]1 ZINC000262139067 341514277 /nfs/dbraw/zinc/51/42/77/341514277.db2.gz MELXWPKFYKXEMH-CQSZACIVSA-N 1 0 311.307 3.744 10 0 DHAERO Cc1sc2nc(C)nc(NC[C@H]([NH3+])c3ccccc3)c2c1C ZINC000262561299 341524967 /nfs/dbraw/zinc/52/49/67/341524967.db2.gz VNIWTZMUIASIHP-AWEZNQCLSA-N 1 0 312.442 3.728 10 0 DHAERO CCCCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H](CC)c1ccccc1 ZINC000262636096 341526631 /nfs/dbraw/zinc/52/66/31/341526631.db2.gz NAMDIXMNMAXHKR-KZNAEPCWSA-N 1 0 302.462 3.894 10 0 DHAERO COc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)ccc1F ZINC000153593637 341575400 /nfs/dbraw/zinc/57/54/00/341575400.db2.gz HMGPQXMICJDRBV-CHWSQXEVSA-N 1 0 303.377 3.822 10 0 DHAERO c1ccc2c(c1)OC1(CCCC1)C[C@@H]2[NH2+]C[C@H]1CCCOC1 ZINC000178430575 341954337 /nfs/dbraw/zinc/95/43/37/341954337.db2.gz ZFOCKQDVSBQOHS-WBVHZDCISA-N 1 0 301.430 3.839 10 0 DHAERO Cc1ccccc1[C@H](C)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000158659084 518191046 /nfs/dbraw/zinc/19/10/46/518191046.db2.gz XOJZXRBRYPBWCL-INIZCTEOSA-N 1 0 317.477 3.572 10 0 DHAERO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000181918221 519733200 /nfs/dbraw/zinc/73/32/00/519733200.db2.gz OWRSZZVHLIGAFZ-FZKQIMNGSA-N 1 0 310.397 3.819 10 0 DHAERO CC(C)c1nc(NC[C@@H]2CCC[NH2+]C2)cc(-c2ccccc2)n1 ZINC000070456363 519865809 /nfs/dbraw/zinc/86/58/09/519865809.db2.gz ZBSMKMDEJMVJFY-OAHLLOKOSA-N 1 0 310.445 3.679 10 0 DHAERO CC[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2Cl)c1 ZINC000156481065 520004380 /nfs/dbraw/zinc/00/43/80/520004380.db2.gz QOJOFWAGPSZBBG-UHFFFAOYSA-N 1 0 306.768 3.841 10 0 DHAERO CC1(C)C[C@@H]([NH2+]C2CCC3(CC2)OCCO3)c2ccccc2O1 ZINC000161784305 520521196 /nfs/dbraw/zinc/52/11/96/520521196.db2.gz FISIXZPDSGMVAB-MRXNPFEDSA-N 1 0 317.429 3.564 10 0 DHAERO CCSc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000156340201 521749082 /nfs/dbraw/zinc/74/90/82/521749082.db2.gz NYXWGWOHMWIYNK-CMPLNLGQSA-N 1 0 312.866 3.908 10 0 DHAERO CCc1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000188142230 522517141 /nfs/dbraw/zinc/51/71/41/522517141.db2.gz FAXIQVXFPSBNET-IUODEOHRSA-N 1 0 318.852 3.722 10 0 DHAERO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000154562638 523090786 /nfs/dbraw/zinc/09/07/86/523090786.db2.gz SZICQUGAVBFSMX-RDJZCZTQSA-N 1 0 316.424 3.768 10 0 DHAERO CCn1cc([C@H]2C[N@H+](Cc3cccc4ccccc43)CCO2)cn1 ZINC000191699617 523482200 /nfs/dbraw/zinc/48/22/00/523482200.db2.gz PEJZAEWWCLYYLJ-HXUWFJFHSA-N 1 0 321.424 3.630 10 0 DHAERO C[NH2+][C@@H]1CCN(c2ccc(Br)cc2Cl)[C@@H](C)C1 ZINC000049712650 536377555 /nfs/dbraw/zinc/37/75/55/536377555.db2.gz LRJLQKIUWUGAJU-GXSJLCMTSA-N 1 0 317.658 3.679 10 0 DHAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000180522079 524047688 /nfs/dbraw/zinc/04/76/88/524047688.db2.gz MBTZSPXCXHZXKD-YOEHRIQHSA-N 1 0 312.461 3.630 10 0 DHAERO Cc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000177093974 524236226 /nfs/dbraw/zinc/23/62/26/524236226.db2.gz AXABFMSDQITZOT-HOTGVXAUSA-N 1 0 315.461 3.819 10 0 DHAERO Cc1cc(C)c(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000106074869 524260134 /nfs/dbraw/zinc/26/01/34/524260134.db2.gz WVXCXYHWFKXQBT-SFHVURJKSA-N 1 0 324.472 3.503 10 0 DHAERO COc1ccccc1C[C@@H]([NH2+]CCc1nccs1)C(C)C ZINC000127989992 524501818 /nfs/dbraw/zinc/50/18/18/524501818.db2.gz VVKUHGHTQRAWFR-OAHLLOKOSA-N 1 0 304.459 3.551 10 0 DHAERO C[C@H]([NH2+]Cc1cn2cccnc2n1)c1ccc(C(C)(C)C)cc1 ZINC000182610003 525474286 /nfs/dbraw/zinc/47/42/86/525474286.db2.gz WYWXHJLRCSYHPH-AWEZNQCLSA-N 1 0 308.429 3.878 10 0 DHAERO Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC000237813278 525474953 /nfs/dbraw/zinc/47/49/53/525474953.db2.gz ABWKFDIEWZAOSC-HUUCEWRRSA-N 1 0 310.397 3.853 10 0 DHAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc(-c2ccccc2)c1 ZINC000180604605 525653591 /nfs/dbraw/zinc/65/35/91/525653591.db2.gz PEYDZAZKHZTGKC-DNVCBOLYSA-N 1 0 318.424 3.611 10 0 DHAERO Cc1c([C@@H](C)N[C@H](C[NH+](C)C)c2ccccc2)cnn1C(C)C ZINC000191136267 525903747 /nfs/dbraw/zinc/90/37/47/525903747.db2.gz JFULKQHKDXVLCR-DNVCBOLYSA-N 1 0 314.477 3.726 10 0 DHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)o1 ZINC000158093416 525932369 /nfs/dbraw/zinc/93/23/69/525932369.db2.gz ZBDBSFHJMFQGPC-JQWIXIFHSA-N 1 0 321.808 3.704 10 0 DHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc1C ZINC000180514739 525939530 /nfs/dbraw/zinc/93/95/30/525939530.db2.gz VFRIYZFHRXHCRE-DOTOQJQBSA-N 1 0 312.461 3.684 10 0 DHAERO COc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)c1 ZINC000157797309 525941133 /nfs/dbraw/zinc/94/11/33/525941133.db2.gz ADBJZWCFOLBRBG-HNNXBMFYSA-N 1 0 302.443 3.840 10 0 DHAERO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4cccnc4)C3)nc2c1 ZINC000130843880 526106485 /nfs/dbraw/zinc/10/64/85/526106485.db2.gz BUAQYALECNMDLC-INIZCTEOSA-N 1 0 306.413 3.646 10 0 DHAERO C[C@H](c1ccccc1Cl)N(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000246250063 526109963 /nfs/dbraw/zinc/10/99/63/526109963.db2.gz JUNANLSKKCKFNK-HZSPNIEDSA-N 1 0 320.864 3.910 10 0 DHAERO Cn1cc([C@H]2CC[N@H+](CCCSCc3ccccc3)C2)cn1 ZINC000132084542 527319499 /nfs/dbraw/zinc/31/94/99/527319499.db2.gz QNJIVDCPXXIRIK-KRWDZBQOSA-N 1 0 315.486 3.533 10 0 DHAERO CCOc1cc(C[NH2+]C(C)C)cc(Br)c1OCC ZINC000010436091 563356597 /nfs/dbraw/zinc/35/65/97/563356597.db2.gz MRKUFJKFDJXOTF-UHFFFAOYSA-N 1 0 316.239 3.745 10 0 DHAERO COc1ccc(CC[NH3+])cc1-c1ccc(OC)c2nc(C)ccc12 ZINC000067490622 563487945 /nfs/dbraw/zinc/48/79/45/563487945.db2.gz GBKYCOONHNEZRM-UHFFFAOYSA-N 1 0 322.408 3.729 10 0 DHAERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)C[C@H]1NC(=O)OC(C)(C)C ZINC000068592708 563495053 /nfs/dbraw/zinc/49/50/53/563495053.db2.gz PQHYEHZEEAWEJB-BFYDXBDKSA-N 1 0 318.461 3.810 10 0 DHAERO Cc1ccc([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1F ZINC000675052490 563780600 /nfs/dbraw/zinc/78/06/00/563780600.db2.gz ASHKHVHUGQGJDY-DZGCQCFKSA-N 1 0 308.397 3.533 10 0 DHAERO CCc1ccc([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1 ZINC000675054492 563861627 /nfs/dbraw/zinc/86/16/27/563861627.db2.gz NSHFBFGHHDRNRD-HZPDHXFCSA-N 1 0 304.434 3.648 10 0 DHAERO CC[C@@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101980 563893604 /nfs/dbraw/zinc/89/36/04/563893604.db2.gz FLTKBGUGRVNNJA-LJQANCHMSA-N 1 0 301.405 3.907 10 0 DHAERO c1ccc2[nH]c(SC[C@H]3CCC[N@@H+]4CCCC[C@H]34)nc2c1 ZINC000008775435 563927572 /nfs/dbraw/zinc/92/75/72/563927572.db2.gz AVHMUPJYYXTAQW-CZUORRHYSA-N 1 0 301.459 3.920 10 0 DHAERO Brc1cc([C@H]2[NH2+]CCc3sccc32)cs1 ZINC000397120708 568415007 /nfs/dbraw/zinc/41/50/07/568415007.db2.gz MOFCIDAYUGXIJO-LLVKDONJSA-N 1 0 300.246 3.807 10 0 DHAERO Cc1ccc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1C ZINC000675055403 568420050 /nfs/dbraw/zinc/42/00/50/568420050.db2.gz RXLJERHJRMLCCP-HZPDHXFCSA-N 1 0 304.434 3.621 10 0 DHAERO Cc1cccc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1C ZINC000675055449 568420070 /nfs/dbraw/zinc/42/00/70/568420070.db2.gz SJJZXCDPHNEUMN-GOEBONIOSA-N 1 0 304.434 3.621 10 0 DHAERO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cc[nH]c1 ZINC000092402896 1032492068 /nfs/dbraw/zinc/49/20/68/1032492068.db2.gz NMTDJLZSGQZJEY-UHFFFAOYSA-N 1 0 312.392 3.609 10 0 DHAERO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788834 1032509496 /nfs/dbraw/zinc/50/94/96/1032509496.db2.gz OQQCPZNQUCWQIR-LBPRGKRZSA-N 1 0 304.463 3.543 10 0 DHAERO c1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c[nH]1 ZINC000093387235 1032535698 /nfs/dbraw/zinc/53/56/98/1032535698.db2.gz FAVOGNGVOHJIKQ-QGZVFWFLSA-N 1 0 306.413 3.784 10 0 DHAERO Brc1cccc(-c2cnc(C[NH2+]C3CC3)s2)c1 ZINC000083241294 192366876 /nfs/dbraw/zinc/36/68/76/192366876.db2.gz NJKRMYXKTUGJAF-UHFFFAOYSA-N 1 0 309.232 3.825 10 0 DHAERO CC[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCOC1 ZINC000070579372 190907195 /nfs/dbraw/zinc/90/71/95/190907195.db2.gz NFIPXAMZTDFOJD-SWLSCSKDSA-N 1 0 302.245 3.941 10 0 DHAERO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000072843749 191238002 /nfs/dbraw/zinc/23/80/02/191238002.db2.gz OMNTZJUUWJNYGR-GFCCVEGCSA-N 1 0 318.367 3.517 10 0 DHAERO CCN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000073652503 191336262 /nfs/dbraw/zinc/33/62/62/191336262.db2.gz IORQQMAGEAZMSR-KRWDZBQOSA-N 1 0 318.461 3.908 10 0 DHAERO C[C@H]1OP2([NH2+]C3CCCCC3)(O[C@H](C)[C@H](C)O2)O[C@H]1C ZINC000005370054 181235030 /nfs/dbraw/zinc/23/50/30/181235030.db2.gz YTFCJLMJAANERZ-MPZDIEGVSA-N 1 0 305.355 3.685 10 0 DHAERO CCOc1ccc(C2(C[NH2+]CCC(C)C)CCOCC2)cc1 ZINC000236914672 202068795 /nfs/dbraw/zinc/06/87/95/202068795.db2.gz WSTQFDVOXGMMHX-UHFFFAOYSA-N 1 0 305.462 3.769 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1 ZINC000236900074 202060409 /nfs/dbraw/zinc/06/04/09/202060409.db2.gz RFWROGXWZUVHFD-DZGCQCFKSA-N 1 0 302.418 3.860 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 ZINC000236952174 202090624 /nfs/dbraw/zinc/09/06/24/202090624.db2.gz DELHZCHUEWLPQH-HNNXBMFYSA-N 1 0 313.401 3.557 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000236999013 202115214 /nfs/dbraw/zinc/11/52/14/202115214.db2.gz KJQHQGOSEOQSKO-RTBURBONSA-N 1 0 310.441 3.604 10 0 DHAERO CC(C)C[NH2+]Cc1nccn1Cc1ccc(Cl)cc1Cl ZINC000006689866 181370976 /nfs/dbraw/zinc/37/09/76/181370976.db2.gz BISADVRBWQLEQT-UHFFFAOYSA-N 1 0 312.244 3.984 10 0 DHAERO C[C@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000091691357 193092485 /nfs/dbraw/zinc/09/24/85/193092485.db2.gz ISSWHZVIBCCHQF-RTBURBONSA-N 1 0 315.844 3.938 10 0 DHAERO Cc1nc(N(C)C)sc1C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000093453581 193254222 /nfs/dbraw/zinc/25/42/22/193254222.db2.gz TVXVCYFRLZXXEF-HNNXBMFYSA-N 1 0 316.474 3.558 10 0 DHAERO FC(F)(F)c1cnc(OCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000095071967 193416061 /nfs/dbraw/zinc/41/60/61/193416061.db2.gz FOYUVGHUBUVQKA-UHFFFAOYSA-N 1 0 308.731 3.522 10 0 DHAERO CC(C)[NH2+][C@@H]1CCOC[C@H]1Cc1c(Cl)cccc1Cl ZINC000095088407 193420549 /nfs/dbraw/zinc/42/05/49/193420549.db2.gz UCNMEIQCGBIWDB-IAQYHMDHSA-N 1 0 302.245 3.939 10 0 DHAERO Cc1ccc2c(C)nc(N3CCC[C@@H]([NH2+]C(C)C)CC3)nc2c1 ZINC000012217760 181740887 /nfs/dbraw/zinc/74/08/87/181740887.db2.gz HENWDQIZNIYIEW-MRXNPFEDSA-N 1 0 312.461 3.604 10 0 DHAERO COc1cc(OC)cc([C@@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000019415400 182122228 /nfs/dbraw/zinc/12/22/28/182122228.db2.gz ZZTSGXRYJKSTSV-HNNXBMFYSA-N 1 0 322.202 3.514 10 0 DHAERO CN(c1ccccc1)[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019510337 182126925 /nfs/dbraw/zinc/12/69/25/182126925.db2.gz DANFZQHMJWRAPO-OAHLLOKOSA-N 1 0 323.209 3.724 10 0 DHAERO C[NH2+]Cc1ccc(OCCOc2ccc(Cl)c(C)c2)cc1 ZINC000019777671 182147814 /nfs/dbraw/zinc/14/78/14/182147814.db2.gz VKGLXZZECBPKRI-UHFFFAOYSA-N 1 0 305.805 3.826 10 0 DHAERO [NH3+]Cc1nc(-c2cc3cc(Br)ccc3o2)cs1 ZINC000019817767 182153238 /nfs/dbraw/zinc/15/32/38/182153238.db2.gz MGHOYSPDGZBCFZ-UHFFFAOYSA-N 1 0 309.188 3.778 10 0 DHAERO [NH3+][C@@H](c1cc(F)ccc1F)c1cc(Br)ccc1F ZINC000019969547 182171224 /nfs/dbraw/zinc/17/12/24/182171224.db2.gz XXSHMSJOSXBFHE-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO [NH3+][C@H](c1ccc(F)cc1F)c1cc(F)ccc1Br ZINC000019968921 182171730 /nfs/dbraw/zinc/17/17/30/182171730.db2.gz GLEMLWVEHJZXIO-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])[C@@H]1C[C@@H]1C ZINC000019967847 182171833 /nfs/dbraw/zinc/17/18/33/182171833.db2.gz PWIZOYPNVOURNW-FMTFEUNWSA-N 1 0 304.615 3.767 10 0 DHAERO CN(CCc1ccccn1)[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000019988816 182174659 /nfs/dbraw/zinc/17/46/59/182174659.db2.gz GXFYCMLIMGBJOZ-OAHLLOKOSA-N 1 0 324.255 3.563 10 0 DHAERO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1N)C1CCCCC1 ZINC000020021230 182179908 /nfs/dbraw/zinc/17/99/08/182179908.db2.gz DYCDYYJSEOMUMP-UHFFFAOYSA-N 1 0 309.841 3.515 10 0 DHAERO Cc1cc(C)c([C@@H](C[NH3+])N2CCc3sccc3C2)c(C)c1 ZINC000020081688 182184973 /nfs/dbraw/zinc/18/49/73/182184973.db2.gz NTUTWWHEXYLUBI-MRXNPFEDSA-N 1 0 300.471 3.731 10 0 DHAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000020226564 182198793 /nfs/dbraw/zinc/19/87/93/182198793.db2.gz MSMNNIXFWOBVCW-FQEVSTJZSA-N 1 0 312.457 3.996 10 0 DHAERO [NH3+]Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(F)cc1 ZINC000020390856 182213673 /nfs/dbraw/zinc/21/36/73/182213673.db2.gz QOVDYXSTMAQKEI-UHFFFAOYSA-N 1 0 301.752 3.791 10 0 DHAERO CCCOc1ccc2ccccc2c1C[NH2+]CCCCCO ZINC000020930895 182255169 /nfs/dbraw/zinc/25/51/69/182255169.db2.gz VBVKZXJKPKEBAV-UHFFFAOYSA-N 1 0 301.430 3.881 10 0 DHAERO CSC1=NC2(CC[NH2+]CC2)N=C1c1ccc(C(C)(C)C)cc1 ZINC000020848453 182248626 /nfs/dbraw/zinc/24/86/26/182248626.db2.gz KTJJJHGEPZSXDM-UHFFFAOYSA-N 1 0 315.486 3.628 10 0 DHAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C[C@@H](C)O)cc1 ZINC000020875114 182251558 /nfs/dbraw/zinc/25/15/58/182251558.db2.gz QJTPWSSGWVTPHK-CQSZACIVSA-N 1 0 319.832 3.698 10 0 DHAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2cccc(Cl)c2Cl)C1 ZINC000021012391 182260266 /nfs/dbraw/zinc/26/02/66/182260266.db2.gz WTBYDPGEEXZUMU-MJVIPROJSA-N 1 0 301.261 3.971 10 0 DHAERO CCC(CC)[C@H]([NH3+])c1cc2c(cc1Br)OCCO2 ZINC000036925977 182852875 /nfs/dbraw/zinc/85/28/75/182852875.db2.gz PRAIXRNXIHFING-AWEZNQCLSA-N 1 0 314.223 3.656 10 0 DHAERO Cc1ccc(Br)cc1-n1c(N)[nH+]c2ccccc21 ZINC000037368779 182883954 /nfs/dbraw/zinc/88/39/54/182883954.db2.gz ZFZRIJIXGDTYGS-UHFFFAOYSA-N 1 0 302.175 3.679 10 0 DHAERO CCC[NH+](CCC)CC[C@@H](O)c1ccc(Br)cc1 ZINC000041145234 183175926 /nfs/dbraw/zinc/17/59/26/183175926.db2.gz MKWSNJNKTXOSFL-OAHLLOKOSA-N 1 0 314.267 3.995 10 0 DHAERO [NH3+]C[C@H](Cc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000041541254 183200244 /nfs/dbraw/zinc/20/02/44/183200244.db2.gz JDBNFQMBKBGFHM-ZDUSSCGKSA-N 1 0 308.194 3.873 10 0 DHAERO CN(Cc1csc(Br)c1)CC1([NH3+])CCCCC1 ZINC000042365965 183260079 /nfs/dbraw/zinc/26/00/79/183260079.db2.gz MCNFNZJUSNWFJG-UHFFFAOYSA-N 1 0 317.296 3.604 10 0 DHAERO CC(C)C[N@H+](C(C)C)[C@H](CN)c1cccc(Br)c1 ZINC000042579572 183286669 /nfs/dbraw/zinc/28/66/69/183286669.db2.gz BGRGUSKRCFMCDK-OAHLLOKOSA-N 1 0 313.283 3.815 10 0 DHAERO CCCN(CC(F)(F)F)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042745713 183304958 /nfs/dbraw/zinc/30/49/58/183304958.db2.gz APURADUCAGJWCH-QMMMGPOBSA-N 1 0 300.777 3.676 10 0 DHAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCC(C)CC1 ZINC000042951675 183321039 /nfs/dbraw/zinc/32/10/39/183321039.db2.gz XRJYBVOVDGCWGP-DOMZBBRYSA-N 1 0 311.267 3.569 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)Cc1ccco1 ZINC000042953134 183321343 /nfs/dbraw/zinc/32/13/43/183321343.db2.gz WGALBKLQZMSPLY-NHYWBVRUSA-N 1 0 323.234 3.562 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)Cc1ccoc1 ZINC000042954297 183321522 /nfs/dbraw/zinc/32/15/22/183321522.db2.gz VEIIKGSSWGYACN-IAQYHMDHSA-N 1 0 323.234 3.562 10 0 DHAERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)Cc1ccco1 ZINC000042953139 183321990 /nfs/dbraw/zinc/32/19/90/183321990.db2.gz WGALBKLQZMSPLY-XHDPSFHLSA-N 1 0 323.234 3.562 10 0 DHAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CC)C1CC1 ZINC000042952774 183322029 /nfs/dbraw/zinc/32/20/29/183322029.db2.gz CENHFVVZCLPKTI-HUUCEWRRSA-N 1 0 311.267 3.712 10 0 DHAERO CC[C@H]([NH3+])[C@@H](SCCOC)c1ccc(Br)cc1 ZINC000042959466 183323877 /nfs/dbraw/zinc/32/38/77/183323877.db2.gz ZSAMGYGLVOMWHR-STQMWFEESA-N 1 0 318.280 3.607 10 0 DHAERO C[C@H](N)[C@@H](c1cccc(Br)c1)[N@H+](C)C1CCCC1 ZINC000043020333 183328365 /nfs/dbraw/zinc/32/83/65/183328365.db2.gz LUUVWZFOCVTCHI-NHYWBVRUSA-N 1 0 311.267 3.712 10 0 DHAERO Cc1ccccc1[C@H](C[NH3+])Oc1ccc(F)cc1Br ZINC000043038272 183331893 /nfs/dbraw/zinc/33/18/93/183331893.db2.gz UJFVMPRAEABSFR-HNNXBMFYSA-N 1 0 324.193 3.975 10 0 DHAERO COc1ccccc1O[C@H](C[NH3+])c1ccccc1Br ZINC000043094404 183336900 /nfs/dbraw/zinc/33/69/00/183336900.db2.gz ZESSKNXKZPSXKH-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)Cc1ccco1 ZINC000043091537 183335598 /nfs/dbraw/zinc/33/55/98/183335598.db2.gz CSAJHIJNKXJGQA-IAQYHMDHSA-N 1 0 323.234 3.562 10 0 DHAERO CCCN(C(C)C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091291 183335886 /nfs/dbraw/zinc/33/58/86/183335886.db2.gz VVBWCFINVNYSRH-IUODEOHRSA-N 1 0 313.283 3.958 10 0 DHAERO c1cnn(CCCCC[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000104681060 194026954 /nfs/dbraw/zinc/02/69/54/194026954.db2.gz MTQUXMBHDMPPSD-HNNXBMFYSA-N 1 0 304.463 3.737 10 0 DHAERO CC(C)C[C@H](C)[NH2+]CCOc1cccc(Br)c1 ZINC000049595990 183745338 /nfs/dbraw/zinc/74/53/38/183745338.db2.gz DUJPZLGKYAHXMX-LBPRGKRZSA-N 1 0 300.240 3.852 10 0 DHAERO CC[NH2+][C@H]1CCC[C@@H]1CCOc1ccc(Br)cc1 ZINC000049597084 183745679 /nfs/dbraw/zinc/74/56/79/183745679.db2.gz XDOCTTRGAMSUJW-DOMZBBRYSA-N 1 0 312.251 3.996 10 0 DHAERO CC(C)(C)[C@H]([NH3+])CCCOc1ccc(Br)cc1 ZINC000049596779 183745683 /nfs/dbraw/zinc/74/56/83/183745683.db2.gz UEJHNUJONLOQCL-CYBMUJFWSA-N 1 0 300.240 3.982 10 0 DHAERO CC[NH2+][C@H](C)[C@H](C)CCOc1cccc(Br)c1 ZINC000049596940 183745820 /nfs/dbraw/zinc/74/58/20/183745820.db2.gz YWNUYKWSRFAVPH-VXGBXAGGSA-N 1 0 300.240 3.852 10 0 DHAERO COc1ccc(Br)cc1C[C@]1([NH3+])CCC[C@H](C)C1 ZINC000049597821 183746314 /nfs/dbraw/zinc/74/63/14/183746314.db2.gz UDWRKNYIDNVLRO-NHYWBVRUSA-N 1 0 312.251 3.908 10 0 DHAERO C[NH2+]C[C@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC000052696057 183868677 /nfs/dbraw/zinc/86/86/77/183868677.db2.gz LKPVJVSVWIKOEW-HNNXBMFYSA-N 1 0 324.193 3.928 10 0 DHAERO Brc1ccc(CN2CCCC[C@@H]2C[NH2+]C2CC2)cc1 ZINC000053652068 183909017 /nfs/dbraw/zinc/90/90/17/183909017.db2.gz WNCOGMWHTWTBDF-MRXNPFEDSA-N 1 0 323.278 3.556 10 0 DHAERO [NH3+][C@@H](Cc1ccc(F)cc1Br)c1cccc(F)c1 ZINC000053789715 183912596 /nfs/dbraw/zinc/91/25/96/183912596.db2.gz TWLNESPIJZHDGI-AWEZNQCLSA-N 1 0 312.157 3.970 10 0 DHAERO [NH3+]C[C@@H](Nc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000057653630 184043915 /nfs/dbraw/zinc/04/39/15/184043915.db2.gz WCERSZBURMYFKX-CQSZACIVSA-N 1 0 309.182 3.700 10 0 DHAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000057382229 184036752 /nfs/dbraw/zinc/03/67/52/184036752.db2.gz FIUHJDQRRJVKND-NSHDSACASA-N 1 0 306.768 3.768 10 0 DHAERO [NH3+]C[C@@H](Cc1ccc(Br)cc1)c1ccccc1F ZINC000057735896 184050485 /nfs/dbraw/zinc/05/04/85/184050485.db2.gz GGGQMYXOCJSMRD-GFCCVEGCSA-N 1 0 308.194 3.873 10 0 DHAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(O)c(Br)c2)o1 ZINC000057988525 184064981 /nfs/dbraw/zinc/06/49/81/184064981.db2.gz VBYBQQPMFGSMTO-JTQLQIEISA-N 1 0 310.191 3.907 10 0 DHAERO CC[NH2+]C[C@@H](C)c1nc2cc(Br)ccc2n1C1CC1 ZINC000061219288 184166167 /nfs/dbraw/zinc/16/61/67/184166167.db2.gz JTQKQYYZGLZYFN-SNVBAGLBSA-N 1 0 322.250 3.847 10 0 DHAERO CC(C)[C@@H](CCOc1cccc(Br)c1)[C@H](C)[NH3+] ZINC000061686423 184182566 /nfs/dbraw/zinc/18/25/66/184182566.db2.gz GQJXNDSXWWXSBA-SMDDNHRTSA-N 1 0 300.240 3.837 10 0 DHAERO CCC[NH2+][C@H](C)c1ccc(-n2cccn2)c(Br)c1 ZINC000061698280 184183883 /nfs/dbraw/zinc/18/38/83/184183883.db2.gz CZACAVWQUNJGQA-LLVKDONJSA-N 1 0 308.223 3.695 10 0 DHAERO C[N@@H+]1CC[C@@H](Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000061985117 184199502 /nfs/dbraw/zinc/19/95/02/184199502.db2.gz KCXUQGHLLUTNRF-SECBINFHSA-N 1 0 323.156 3.584 10 0 DHAERO CCCn1c2ccc(Br)cc2nc1[C@@H](C)[NH2+]CC ZINC000062366352 184233159 /nfs/dbraw/zinc/23/31/59/184233159.db2.gz MEUHMPRJXPKGCI-SNVBAGLBSA-N 1 0 310.239 3.879 10 0 DHAERO C[C@]1(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCC[NH2+]C1 ZINC000062853238 184256768 /nfs/dbraw/zinc/25/67/68/184256768.db2.gz CECCCQAFXJYKHE-ZDUSSCGKSA-N 1 0 321.635 3.975 10 0 DHAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCCC1(C)C ZINC000063065867 184269162 /nfs/dbraw/zinc/26/91/62/184269162.db2.gz WMESFNYDINAOLW-FZMZJTMJSA-N 1 0 311.267 3.712 10 0 DHAERO Clc1ccc(-c2nn(Cc3ccccc3)c3c2C[NH2+]CC3)cc1 ZINC000066112330 184390535 /nfs/dbraw/zinc/39/05/35/184390535.db2.gz MYDFLCNRMGZPDI-UHFFFAOYSA-N 1 0 323.827 3.898 10 0 DHAERO Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193659019 335051489 /nfs/dbraw/zinc/05/14/89/335051489.db2.gz ARMVVMJMBSLTRY-SUMWQHHRSA-N 1 0 322.408 3.765 10 0 DHAERO CCCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000037619394 331581036 /nfs/dbraw/zinc/58/10/36/331581036.db2.gz LFHACDHKYOWKBD-NSHDSACASA-N 1 0 308.731 3.815 10 0 DHAERO CC1(C)CN(C(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000261703557 331788699 /nfs/dbraw/zinc/78/86/99/331788699.db2.gz IVOLDEHGRATVEJ-LBPRGKRZSA-N 1 0 316.232 3.585 10 0 DHAERO CSc1ccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000130041709 332022063 /nfs/dbraw/zinc/02/20/63/332022063.db2.gz VKRPCPJUZJESKC-LRDDRELGSA-N 1 0 300.427 3.683 10 0 DHAERO CSc1ccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000130042114 332022233 /nfs/dbraw/zinc/02/22/33/332022233.db2.gz VKRPCPJUZJESKC-BLLLJJGKSA-N 1 0 300.427 3.683 10 0 DHAERO CSc1ccccc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130191722 332023372 /nfs/dbraw/zinc/02/33/72/332023372.db2.gz KAUYNXWUIAEPLY-WBMJQRKESA-N 1 0 300.427 3.683 10 0 DHAERO C[C@H](NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)c1ccc(Cl)s1 ZINC000130195820 332023424 /nfs/dbraw/zinc/02/34/24/332023424.db2.gz XMSDFBIVYFLMDX-PGUXBMHVSA-N 1 0 322.861 3.915 10 0 DHAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000092708252 332139545 /nfs/dbraw/zinc/13/95/45/332139545.db2.gz JFYPUFCJVFDQGK-OAHLLOKOSA-N 1 0 316.470 3.782 10 0 DHAERO CCC(CC)(C[NH3+])C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000044764366 332291598 /nfs/dbraw/zinc/29/15/98/332291598.db2.gz TZQKULBPUWMVQC-UHFFFAOYSA-N 1 0 302.340 3.717 10 0 DHAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000261781482 332313615 /nfs/dbraw/zinc/31/36/15/332313615.db2.gz PHXQKLAHLCKIDQ-APHBMKBZSA-N 1 0 306.837 3.521 10 0 DHAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000261818089 332416928 /nfs/dbraw/zinc/41/69/28/332416928.db2.gz WKESUKVYAPBJPZ-GUYCJALGSA-N 1 0 306.409 3.584 10 0 DHAERO CC(C)(C)Oc1ccc(NC(=O)[C@](C)([NH3+])c2ccccc2)cc1 ZINC000195258989 335104810 /nfs/dbraw/zinc/10/48/10/335104810.db2.gz LSQCWYNKMHNCRM-LJQANCHMSA-N 1 0 312.413 3.677 10 0 DHAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000261639594 332483444 /nfs/dbraw/zinc/48/34/44/332483444.db2.gz CGNPDWFIXRUACY-ZYHUDNBSSA-N 1 0 315.244 3.703 10 0 DHAERO C[C@@H](NCc1ccccc1OCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000562960557 332652420 /nfs/dbraw/zinc/65/24/20/332652420.db2.gz PLHNIUJZZSCKCR-MJGOQNOKSA-N 1 0 324.468 3.743 10 0 DHAERO [NH3+][C@H](CC1CCCCC1)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000262394553 332995204 /nfs/dbraw/zinc/99/52/04/332995204.db2.gz BQYRLOPPJFTXTG-JXQTWKCFSA-N 1 0 320.399 3.521 10 0 DHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000466412359 333018856 /nfs/dbraw/zinc/01/88/56/333018856.db2.gz OXSWSAWVEGDLKC-DABQJJPHSA-N 1 0 312.251 3.742 10 0 DHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c(C)c1 ZINC000180634216 333163829 /nfs/dbraw/zinc/16/38/29/333163829.db2.gz QZZYNIHVXIAJAV-HOTGVXAUSA-N 1 0 312.461 3.684 10 0 DHAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000390577066 333302367 /nfs/dbraw/zinc/30/23/67/333302367.db2.gz GDIQFAWUHLEDFL-GJZGRUSLSA-N 1 0 313.397 3.671 10 0 DHAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000040502437 333353585 /nfs/dbraw/zinc/35/35/85/333353585.db2.gz CZZQAFNBBAOMDH-WFASDCNBSA-N 1 0 300.368 3.840 10 0 DHAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000228487978 333387115 /nfs/dbraw/zinc/38/71/15/333387115.db2.gz DCSJXQVQORQPFF-BHYGNILZSA-N 1 0 311.828 3.995 10 0 DHAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049129476 334314833 /nfs/dbraw/zinc/31/48/33/334314833.db2.gz BTQWUGSQXLARLI-NXEZZACHSA-N 1 0 302.871 3.745 10 0 DHAERO CCc1cc(N2CCc3cnc(CC)nc3C2)c2ccccc2[nH+]1 ZINC000124834529 334772255 /nfs/dbraw/zinc/77/22/55/334772255.db2.gz GPBGBTUZCYYWOB-UHFFFAOYSA-N 1 0 318.424 3.712 10 0 DHAERO Cc1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c(Oc2ccccc2)c1 ZINC000161940422 334897456 /nfs/dbraw/zinc/89/74/56/334897456.db2.gz RNNUSVKFPMRTPJ-RDJZCZTQSA-N 1 0 324.424 3.531 10 0 DHAERO COC(=O)C1CCC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000192446291 336032863 /nfs/dbraw/zinc/03/28/63/336032863.db2.gz BCXGZBZKNUUJDP-MWHAMWOXSA-N 1 0 305.393 3.525 10 0 DHAERO COC(=O)C1CCC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000192446292 336032959 /nfs/dbraw/zinc/03/29/59/336032959.db2.gz BCXGZBZKNUUJDP-QOJXUVEWSA-N 1 0 305.393 3.525 10 0 DHAERO Cc1nc2ccccc2cc1-c1nc(C2([NH3+])CCCCC2)no1 ZINC000333550597 336205398 /nfs/dbraw/zinc/20/53/98/336205398.db2.gz JKEOJFJSJSTUMT-UHFFFAOYSA-N 1 0 308.385 3.711 10 0 DHAERO Cc1cncc(-c2nc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)no2)c1 ZINC000333560362 336205508 /nfs/dbraw/zinc/20/55/08/336205508.db2.gz NZTWNJJKTCXODM-GDBMZVCRSA-N 1 0 312.417 3.595 10 0 DHAERO Cc1ccc(C[NH+]2CCC(CNc3nc(C)cc(C)n3)CC2)cc1 ZINC000301210684 336295004 /nfs/dbraw/zinc/29/50/04/336295004.db2.gz WIYPQZMJARPEOU-UHFFFAOYSA-N 1 0 324.472 3.726 10 0 DHAERO Cc1cc(NCCc2nncn2C(C)C)c2cc(F)ccc2[nH+]1 ZINC000301641937 336320095 /nfs/dbraw/zinc/32/00/95/336320095.db2.gz BPYNDBLODJEVDC-UHFFFAOYSA-N 1 0 313.380 3.509 10 0 DHAERO CC(=O)N1CCC(CCNc2cc[nH+]c3c(C)cccc23)CC1 ZINC000301664909 336321959 /nfs/dbraw/zinc/32/19/59/336321959.db2.gz LCMQEFNCXMCNEJ-UHFFFAOYSA-N 1 0 311.429 3.604 10 0 DHAERO Cc1cccc2c(NCC3(C(=O)N(C)C)CCCC3)cc[nH+]c12 ZINC000301667396 336322069 /nfs/dbraw/zinc/32/20/69/336322069.db2.gz MGGGZSWPCQFVMS-UHFFFAOYSA-N 1 0 311.429 3.604 10 0 DHAERO Cc1cccc2c(N3CCN([C@@H](C)C(F)(F)F)CC3)cc[nH+]c12 ZINC000301681465 336323056 /nfs/dbraw/zinc/32/30/56/336323056.db2.gz RZPXJKIGDXNTHV-ZDUSSCGKSA-N 1 0 323.362 3.616 10 0 DHAERO Cc1cccc2c(N(C)Cc3ccc([S@@](C)=O)cc3)cc[nH+]c12 ZINC000301688194 336323450 /nfs/dbraw/zinc/32/34/50/336323450.db2.gz VKVGBHKSTXYWQO-HSZRJFAPSA-N 1 0 324.449 3.917 10 0 DHAERO Cc1cccc2c(NC[C@H](O)c3c(F)cccc3F)cc[nH+]c12 ZINC000301692663 336323786 /nfs/dbraw/zinc/32/37/86/336323786.db2.gz XFDFVADBOZYVSY-INIZCTEOSA-N 1 0 314.335 3.967 10 0 DHAERO C[C@@H]1CN(c2ccnc3cc(C(F)(F)F)ccc32)C[C@@H]1[NH+](C)C ZINC000301784870 336329673 /nfs/dbraw/zinc/32/96/73/336329673.db2.gz KRYZUMAQQZSCKQ-BZNIZROVSA-N 1 0 323.362 3.640 10 0 DHAERO C[NH+](C)Cc1ccc(CNc2ccnc(C(C)(C)C)n2)cc1F ZINC000301862584 336334807 /nfs/dbraw/zinc/33/48/07/336334807.db2.gz GELXLDKGVHSVFC-UHFFFAOYSA-N 1 0 316.424 3.587 10 0 DHAERO CC(=O)c1c(F)cccc1NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000301877071 336335615 /nfs/dbraw/zinc/33/56/15/336335615.db2.gz KOZIOVYCPXHSCD-UHFFFAOYSA-N 1 0 318.367 3.841 10 0 DHAERO Cc1cc2c(ncnc2NCCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC000301875568 336335636 /nfs/dbraw/zinc/33/56/36/336335636.db2.gz MKRKAYAHVJXWEE-GFCCVEGCSA-N 1 0 304.463 3.534 10 0 DHAERO Clc1ccc2c(c1)CC[C@H]2Nc1cc(N2CCCC2)ncn1 ZINC000302880116 336372945 /nfs/dbraw/zinc/37/29/45/336372945.db2.gz HHMWIORHQGYSNG-OAHLLOKOSA-N 1 0 314.820 3.830 10 0 DHAERO CC(C)c1nc(N2CCC[N@@H+](C3CC3)CC2)cc(C(C)(C)C)n1 ZINC000302916919 336374325 /nfs/dbraw/zinc/37/43/25/336374325.db2.gz WKPIIBLAOFAGNM-UHFFFAOYSA-N 1 0 316.493 3.572 10 0 DHAERO CC(C)COc1ccc([C@H](C)[NH2+]CCO[C@H]2CCCCO2)cc1 ZINC000193091611 336396681 /nfs/dbraw/zinc/39/66/81/336396681.db2.gz HCQUWNDIWIMRBX-LPHOPBHVSA-N 1 0 321.461 3.915 10 0 DHAERO Cc1cnn([C@@H]2CCCN(Cc3cc(Cl)ccc3F)C2)c1 ZINC000123065797 337035085 /nfs/dbraw/zinc/03/50/85/337035085.db2.gz WFVVOUGPRFDAPA-OAHLLOKOSA-N 1 0 307.800 3.821 10 0 DHAERO C[C@H](CC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000193893509 337079827 /nfs/dbraw/zinc/07/98/27/337079827.db2.gz GJHUOVQFGLDINY-IEBWSBKVSA-N 1 0 324.472 3.571 10 0 DHAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cc(Br)cs1 ZINC000194054189 337081418 /nfs/dbraw/zinc/08/14/18/337081418.db2.gz JETFMTFQZWKGTB-NHCYSSNCSA-N 1 0 318.280 3.712 10 0 DHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(Cl)c1 ZINC000194042843 337081451 /nfs/dbraw/zinc/08/14/51/337081451.db2.gz SNWYJDIOWNCCHG-INIZCTEOSA-N 1 0 303.837 3.818 10 0 DHAERO C[C@@](O)(CN[C@@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000170777410 337082970 /nfs/dbraw/zinc/08/29/70/337082970.db2.gz QOOXASIYWVTVGV-IEBWSBKVSA-N 1 0 324.449 3.730 10 0 DHAERO CCCc1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000170940711 337085506 /nfs/dbraw/zinc/08/55/06/337085506.db2.gz PLHJWMCCNDACIH-UHFFFAOYSA-N 1 0 310.445 3.506 10 0 DHAERO Cc1nc(C[C@H]2CCC[N@H+](CCc3ccccc3Cl)C2)no1 ZINC000171403147 337087163 /nfs/dbraw/zinc/08/71/63/337087163.db2.gz KLZACJPEZAHJRW-CQSZACIVSA-N 1 0 319.836 3.529 10 0 DHAERO C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CCS1 ZINC000171690784 337088607 /nfs/dbraw/zinc/08/86/07/337088607.db2.gz AJJNRZAADQUGQN-NSHDSACASA-N 1 0 305.365 3.565 10 0 DHAERO O[C@H](C[C@H]1CCC[N@@H+]1Cc1nc2ccccc2o1)c1ccccc1 ZINC000174378923 337141232 /nfs/dbraw/zinc/14/12/32/337141232.db2.gz JGEFJEZXXXYJJM-SJLPKXTDSA-N 1 0 322.408 3.916 10 0 DHAERO c1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000174848647 337144915 /nfs/dbraw/zinc/14/49/15/337144915.db2.gz RIQHKDAUZFETMC-PKOBYXMFSA-N 1 0 322.456 3.503 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1csc(C2CCCC2)n1 ZINC000175342485 337145400 /nfs/dbraw/zinc/14/54/00/337145400.db2.gz NEGIYNTVSBMZOC-MRXNPFEDSA-N 1 0 307.507 3.717 10 0 DHAERO CCC[C@@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000177336648 337156933 /nfs/dbraw/zinc/15/69/33/337156933.db2.gz MLDQRNXJLVZUGC-QZTJIDSGSA-N 1 0 317.477 3.654 10 0 DHAERO C[NH2+]CCCC(=O)N(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000178453719 337162872 /nfs/dbraw/zinc/16/28/72/337162872.db2.gz HGOIHZVLZPEFOB-UHFFFAOYSA-N 1 0 316.832 3.873 10 0 DHAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)c(C)c3)C2)no1 ZINC000180427681 337174571 /nfs/dbraw/zinc/17/45/71/337174571.db2.gz DSQQPZNSBIIXLR-AWEZNQCLSA-N 1 0 319.836 3.795 10 0 DHAERO CC[C@@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1cccs1 ZINC000180498249 337175954 /nfs/dbraw/zinc/17/59/54/337175954.db2.gz NYRPAUYNFUNJFA-CHWSQXEVSA-N 1 0 304.463 3.519 10 0 DHAERO CC[C@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)C1CCCCC1 ZINC000180506223 337176005 /nfs/dbraw/zinc/17/60/05/337176005.db2.gz BUNLLDLNMKQVDL-CVEARBPZSA-N 1 0 304.482 3.665 10 0 DHAERO CC(C)CCC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000180606583 337176684 /nfs/dbraw/zinc/17/66/84/337176684.db2.gz MMMHALNWHNNUFQ-ZWKOTPCHSA-N 1 0 312.461 3.750 10 0 DHAERO CCc1ccc([C@@H]2CCCCN2Cc2ncnn2CC(C)C)o1 ZINC000182808609 337188338 /nfs/dbraw/zinc/18/83/38/337188338.db2.gz PSXNXJYALCJFAV-INIZCTEOSA-N 1 0 316.449 3.817 10 0 DHAERO Cc1nc(C(F)(F)F)c(CN2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000183570483 337192330 /nfs/dbraw/zinc/19/23/30/337192330.db2.gz IOIMGUUATDJXJP-QWRGUYRKSA-N 1 0 320.380 3.614 10 0 DHAERO Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCCc2c(C)ccc(C)c21 ZINC000186219887 337254865 /nfs/dbraw/zinc/25/48/65/337254865.db2.gz VZBZERTXMDAVMX-SJORKVTESA-N 1 0 310.445 3.705 10 0 DHAERO CCc1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188112376 337270950 /nfs/dbraw/zinc/27/09/50/337270950.db2.gz PHMUECROOUVPTA-ROUUACIJSA-N 1 0 301.455 3.518 10 0 DHAERO Cc1ccc(C)c(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188138249 337271075 /nfs/dbraw/zinc/27/10/75/337271075.db2.gz ZHJKSUILFARBHZ-ROUUACIJSA-N 1 0 301.455 3.573 10 0 DHAERO CC[C@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1cccc(F)c1 ZINC000188342470 337272013 /nfs/dbraw/zinc/27/20/13/337272013.db2.gz QCIYFGCNFSHVRZ-HOTGVXAUSA-N 1 0 316.424 3.596 10 0 DHAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1csc(Cl)c1)CC2 ZINC000191357770 337296358 /nfs/dbraw/zinc/29/63/58/337296358.db2.gz UMKXNIQDFXJAQZ-JQWIXIFHSA-N 1 0 324.881 3.782 10 0 DHAERO CC[NH+](CC)CCC[C@H](C)N1C(=O)CC2(CCCCC2)CC1=O ZINC000584631060 337377109 /nfs/dbraw/zinc/37/71/09/337377109.db2.gz PHXDYAGNYBXRLG-INIZCTEOSA-N 1 0 322.493 3.596 10 0 DHAERO CC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000584637151 337379431 /nfs/dbraw/zinc/37/94/31/337379431.db2.gz YGJDNTHRMJACHN-VQTJNVASSA-N 1 0 309.409 3.564 10 0 DHAERO COc1cc2c(cc1OC)[C@H]1C[C@H](c3ccccc3)C[N@@H+]1CC2 ZINC000584649268 337380500 /nfs/dbraw/zinc/38/05/00/337380500.db2.gz GGMQYTBZZVMOEE-FUHWJXTLSA-N 1 0 309.409 3.791 10 0 DHAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)c1 ZINC000106221329 337387145 /nfs/dbraw/zinc/38/71/45/337387145.db2.gz RJBXPBMYBPSUPC-HNNXBMFYSA-N 1 0 321.371 3.630 10 0 DHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCOc1cccc(C)c1 ZINC000106210953 337387174 /nfs/dbraw/zinc/38/71/74/337387174.db2.gz XHVJHJDYQAEUDQ-SFHVURJKSA-N 1 0 313.445 3.561 10 0 DHAERO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]1c1ccco1 ZINC000116211782 337392512 /nfs/dbraw/zinc/39/25/12/337392512.db2.gz UQQFNZFTDIQKJS-SFHVURJKSA-N 1 0 324.424 3.853 10 0 DHAERO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261689310 337608557 /nfs/dbraw/zinc/60/85/57/337608557.db2.gz DUFXXUZJQLSIAT-GXFFZTMASA-N 1 0 320.820 3.594 10 0 DHAERO COc1cc(Cl)c(CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1Cl ZINC000261741314 337609525 /nfs/dbraw/zinc/60/95/25/337609525.db2.gz KPBZGTZRQPSMTF-CQSZACIVSA-N 1 0 317.260 3.561 10 0 DHAERO CC(C)c1ccc(CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C2CC2)cc1 ZINC000261846705 337611566 /nfs/dbraw/zinc/61/15/66/337611566.db2.gz VKFPYNZWOLCCLC-IEBWSBKVSA-N 1 0 314.473 3.676 10 0 DHAERO CC[NH2+]Cc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000036281330 337747288 /nfs/dbraw/zinc/74/72/88/337747288.db2.gz BCZBWYIIHHFPCA-UHFFFAOYSA-N 1 0 302.805 3.631 10 0 DHAERO C[NH2+]Cc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000036282410 337747324 /nfs/dbraw/zinc/74/73/24/337747324.db2.gz TZEHMBULWZKKDY-UHFFFAOYSA-N 1 0 309.196 3.965 10 0 DHAERO COC[C@@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)C1CC1 ZINC000090460982 337881333 /nfs/dbraw/zinc/88/13/33/337881333.db2.gz XBOBRJQYOQJVCR-IAGOWNOFSA-N 1 0 301.430 3.838 10 0 DHAERO CCn1cc(C2CC[NH+](Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)cn1 ZINC000092809272 337909155 /nfs/dbraw/zinc/90/91/55/337909155.db2.gz REKUMMZYNCNZAY-KSSFIOAISA-N 1 0 313.445 3.999 10 0 DHAERO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@H](C)C[C@@H](C)O ZINC000122440649 337920613 /nfs/dbraw/zinc/92/06/13/337920613.db2.gz NRXSVQGGZRPOQO-KFNAQCHYSA-N 1 0 311.853 3.859 10 0 DHAERO C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1 ZINC000194965878 338785722 /nfs/dbraw/zinc/78/57/22/338785722.db2.gz OIBIKONZYWKILK-WHOFXGATSA-N 1 0 317.351 3.526 10 0 DHAERO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000165210429 339052876 /nfs/dbraw/zinc/05/28/76/339052876.db2.gz ZLDZPGDLMRRDKK-SNVBAGLBSA-N 1 0 317.260 3.936 10 0 DHAERO O=C1O[C@H](C2CC[NH2+]CC2)c2ccccc2N1Cc1ccccc1 ZINC000504041839 340140033 /nfs/dbraw/zinc/14/00/33/340140033.db2.gz ACNHKCJFVBGQOY-LJQANCHMSA-N 1 0 322.408 3.884 10 0 DHAERO C[NH+](C)CC/C=C1/c2ccccc2COc2ccc(C=O)cc21 ZINC000504160243 340142218 /nfs/dbraw/zinc/14/22/18/340142218.db2.gz YTFTZHOBRFUJSG-LSCVHKIXSA-N 1 0 307.393 3.775 10 0 DHAERO C[C@@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCC[NH2+]1 ZINC000301770185 340261022 /nfs/dbraw/zinc/26/10/22/340261022.db2.gz FWLMWJYFNPGPIT-FQEVSTJZSA-N 1 0 324.424 3.736 10 0 DHAERO CC(C)(C)[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000303081141 340300900 /nfs/dbraw/zinc/30/09/00/340300900.db2.gz ARLVUZYVGPCCQI-RBUKOAKNSA-N 1 0 319.489 3.712 10 0 DHAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000512228954 340353116 /nfs/dbraw/zinc/35/31/16/340353116.db2.gz NFCHORQRCPXRJZ-UXHICEINSA-N 1 0 317.473 3.609 10 0 DHAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000183531878 340488164 /nfs/dbraw/zinc/48/81/64/340488164.db2.gz LVJUOHRJRBBJMS-KGLIPLIRSA-N 1 0 305.418 3.568 10 0 DHAERO C[C@@H]1C[C@@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)CC(C)(C)C1 ZINC000184132780 340490961 /nfs/dbraw/zinc/49/09/61/340490961.db2.gz MDLNGKXGJJHCED-HZPDHXFCSA-N 1 0 320.521 3.972 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)c2cccc(C)c2)C12CCOCC2 ZINC000186354880 340511630 /nfs/dbraw/zinc/51/16/30/340511630.db2.gz NSTNDXQEDULIDY-BHIYHBOVSA-N 1 0 317.473 3.662 10 0 DHAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(C)c2)C12CCOCC2 ZINC000186504055 340513763 /nfs/dbraw/zinc/51/37/63/340513763.db2.gz AWDROXVSOQPHEF-IRXDYDNUSA-N 1 0 323.864 3.712 10 0 DHAERO CCOC(=O)c1csc(CC[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000190338803 340544400 /nfs/dbraw/zinc/54/44/00/340544400.db2.gz CPDSZXDXVWTTJG-OLZOCXBDSA-N 1 0 324.490 3.667 10 0 DHAERO CCN(C)c1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000190742369 340546931 /nfs/dbraw/zinc/54/69/31/340546931.db2.gz GYEVMGGXODPNKT-KBPBESRZSA-N 1 0 315.383 3.748 10 0 DHAERO C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000232307588 340631249 /nfs/dbraw/zinc/63/12/49/340631249.db2.gz KNYCHYPBIIOHRY-NOZJJQNGSA-N 1 0 316.232 3.585 10 0 DHAERO [NH3+]C1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCCC1 ZINC000037009928 340735858 /nfs/dbraw/zinc/73/58/58/340735858.db2.gz OYEZKZFAGIQHSQ-UHFFFAOYSA-N 1 0 320.742 3.959 10 0 DHAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3C)C2)no1 ZINC000136182491 341254582 /nfs/dbraw/zinc/25/45/82/341254582.db2.gz IAGRBVUXJJILNX-CQSZACIVSA-N 1 0 319.836 3.795 10 0 DHAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(Cl)c1C ZINC000245424181 341292911 /nfs/dbraw/zinc/29/29/11/341292911.db2.gz CCEMKAOEHLXGRO-KGLIPLIRSA-N 1 0 321.852 3.739 10 0 DHAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@H](C)c1ccccc1 ZINC000246303116 341341007 /nfs/dbraw/zinc/34/10/07/341341007.db2.gz PVFLIHSFZFKEPH-FUHWJXTLSA-N 1 0 302.462 3.513 10 0 DHAERO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)C(C)(C)C ZINC000246375902 341345405 /nfs/dbraw/zinc/34/54/05/341345405.db2.gz JQTREVVQGKIJFN-QLFBSQMISA-N 1 0 310.507 3.534 10 0 DHAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000247000122 341359807 /nfs/dbraw/zinc/35/98/07/341359807.db2.gz KQHINJJQUZUOGJ-HEHGZKQESA-N 1 0 312.404 3.667 10 0 DHAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccc3ccccc3c2)C1 ZINC000247027134 341360060 /nfs/dbraw/zinc/36/00/60/341360060.db2.gz SWRNFPGDEUUZED-BEFAXECRSA-N 1 0 310.441 3.544 10 0 DHAERO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000247183171 341361949 /nfs/dbraw/zinc/36/19/49/341361949.db2.gz ZEVQPGXUAXSHNT-CEXWTWQISA-N 1 0 318.505 3.680 10 0 DHAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc2ccccc21 ZINC000247707300 341369342 /nfs/dbraw/zinc/36/93/42/341369342.db2.gz ZFWRYYUWDBUQJX-IRXDYDNUSA-N 1 0 323.440 3.930 10 0 DHAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccccc1C(F)(F)F)CC2 ZINC000247969195 341371635 /nfs/dbraw/zinc/37/16/35/341371635.db2.gz IRRKPMAGNQWORP-GOEBONIOSA-N 1 0 313.363 3.832 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000248163172 341374153 /nfs/dbraw/zinc/37/41/53/341374153.db2.gz SMCLSEDYKGQBKJ-CORIIIEPSA-N 1 0 301.352 3.907 10 0 DHAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC(C)(C)C1 ZINC000248606548 341381149 /nfs/dbraw/zinc/38/11/49/341381149.db2.gz VLNOIFNCQLLUHH-FGTMMUONSA-N 1 0 320.521 3.926 10 0 DHAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000248663281 341383755 /nfs/dbraw/zinc/38/37/55/341383755.db2.gz ZKXMGAUAUZWQKO-DJIMGWMZSA-N 1 0 309.450 3.539 10 0 DHAERO O[C@]12CCCC[C@H]1C[N@H+](CCSCc1ccccc1)CC2 ZINC000248748573 341385921 /nfs/dbraw/zinc/38/59/21/341385921.db2.gz OBVKPLSFZNJSFB-ROUUACIJSA-N 1 0 305.487 3.547 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](CC)c2ccccc2)C12CCOCC2 ZINC000249004880 341391752 /nfs/dbraw/zinc/39/17/52/341391752.db2.gz NSIOVBRKSWJCLH-QXAKKESOSA-N 1 0 317.473 3.744 10 0 DHAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)c2cccc(C)c2)C12CCOCC2 ZINC000249004952 341391758 /nfs/dbraw/zinc/39/17/58/341391758.db2.gz NSTNDXQEDULIDY-QXAKKESOSA-N 1 0 317.473 3.662 10 0 DHAERO C[C@H](CCC1CC1)[NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000249020111 341392161 /nfs/dbraw/zinc/39/21/61/341392161.db2.gz QLLZZKWLDCRKLH-INMHGKMJSA-N 1 0 322.518 3.678 10 0 DHAERO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000262269385 341517606 /nfs/dbraw/zinc/51/76/06/341517606.db2.gz IBRNQRPZKXDPEG-AEJXEGCDSA-N 1 0 320.864 3.671 10 0 DHAERO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000154925773 341598245 /nfs/dbraw/zinc/59/82/45/341598245.db2.gz ZEVQPGXUAXSHNT-GBESFXJTSA-N 1 0 318.505 3.680 10 0 DHAERO CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](O)CC(F)(F)F)cc1 ZINC000189859185 519763926 /nfs/dbraw/zinc/76/39/26/519763926.db2.gz OSHOUTVBRFTFTA-JSGCOSHPSA-N 1 0 319.367 3.685 10 0 DHAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000159035420 519813140 /nfs/dbraw/zinc/81/31/40/519813140.db2.gz GVJJZYAGLPSXEH-GJZGRUSLSA-N 1 0 301.434 3.694 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](c1ccccc1)C(C)C)CC2 ZINC000180515147 519896581 /nfs/dbraw/zinc/89/65/81/519896581.db2.gz PXVLQJNDFLWFDY-FUHWJXTLSA-N 1 0 312.461 3.703 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1CC(C)(C)c3ccccc31)CC2 ZINC000180529360 519896933 /nfs/dbraw/zinc/89/69/33/519896933.db2.gz OUSABHJVEVXHFG-WMLDXEAASA-N 1 0 324.472 3.729 10 0 DHAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CC(C)(C)c3ccccc31)CC2 ZINC000180529381 519897351 /nfs/dbraw/zinc/89/73/51/519897351.db2.gz OUSABHJVEVXHFG-PBHICJAKSA-N 1 0 324.472 3.729 10 0 DHAERO CCc1csc([C@@H]2CCC[N@H+](CCc3ccncc3)C2)n1 ZINC000157816449 522113043 /nfs/dbraw/zinc/11/30/43/522113043.db2.gz GBNDDCNBAHSVKD-OAHLLOKOSA-N 1 0 301.459 3.523 10 0 DHAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000106213216 522597090 /nfs/dbraw/zinc/59/70/90/522597090.db2.gz QUWRSNURKXZIQB-LSDHHAIUSA-N 1 0 301.409 3.983 10 0 DHAERO CC[C@@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1F ZINC000181090831 522954374 /nfs/dbraw/zinc/95/43/74/522954374.db2.gz NBFYSCYWDYRDBK-XJKSGUPXSA-N 1 0 316.424 3.596 10 0 DHAERO CN1CCC([NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000161517515 523778207 /nfs/dbraw/zinc/77/82/07/523778207.db2.gz OUJJAFZHURBLAE-QGZVFWFLSA-N 1 0 300.446 3.507 10 0 DHAERO C[C@H](CC[NH2+]Cc1cccc2cc[nH]c21)NC(=O)OC(C)(C)C ZINC000222077937 524192557 /nfs/dbraw/zinc/19/25/57/524192557.db2.gz GJCRYTMRQNYOPP-CYBMUJFWSA-N 1 0 317.433 3.561 10 0 DHAERO Cc1cccc(COc2cccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)c2)c1 ZINC000237658549 524449827 /nfs/dbraw/zinc/44/98/27/524449827.db2.gz PNZIJOKXCXNOGI-IRXDYDNUSA-N 1 0 324.424 3.640 10 0 DHAERO Cc1cc(C[NH+]2CCC(Cn3cccn3)CC2)c2ccccc2n1 ZINC000124636032 524674185 /nfs/dbraw/zinc/67/41/85/524674185.db2.gz XHINFPODDYETFU-UHFFFAOYSA-N 1 0 320.440 3.652 10 0 DHAERO Cc1cc(C[NH+]2CCC(c3ccnn3C)CC2)c2ccccc2n1 ZINC000124314635 524677483 /nfs/dbraw/zinc/67/74/83/524677483.db2.gz GKVMVIOPDLLXLJ-UHFFFAOYSA-N 1 0 320.440 3.656 10 0 DHAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1C(C)(C)C ZINC000177094248 524684974 /nfs/dbraw/zinc/68/49/74/524684974.db2.gz GAKVIQTXJVYCBU-LSDHHAIUSA-N 1 0 315.461 3.685 10 0 DHAERO C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccc(-c2ccccc2)cc1 ZINC000237499987 525070693 /nfs/dbraw/zinc/07/06/93/525070693.db2.gz UTMRFKBTQBFZFE-OAHLLOKOSA-N 1 0 308.425 3.530 10 0 DHAERO C[C@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)[C@@H]1CCCO1 ZINC000183104210 525428531 /nfs/dbraw/zinc/42/85/31/525428531.db2.gz IDQFIUDYUKWFJM-YJBOKZPZSA-N 1 0 321.424 3.658 10 0 DHAERO C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(-c2ccccc2)cc1 ZINC000181426988 525458388 /nfs/dbraw/zinc/45/83/88/525458388.db2.gz WNNPHTMGKORCRC-DNVCBOLYSA-N 1 0 309.409 3.957 10 0 DHAERO C[C@H]([NH2+]Cc1csc(-c2ccccc2F)n1)[C@H]1CCCO1 ZINC000183123539 525483492 /nfs/dbraw/zinc/48/34/92/525483492.db2.gz PEKMJSJBYHLUHS-XHDPSFHLSA-N 1 0 306.406 3.606 10 0 DHAERO Cc1c(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)cnn1C ZINC000163305593 525729477 /nfs/dbraw/zinc/72/94/77/525729477.db2.gz AIUDCLKJXOHIFR-KRWDZBQOSA-N 1 0 311.429 3.655 10 0 DHAERO C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000246289141 526045553 /nfs/dbraw/zinc/04/55/53/526045553.db2.gz NDVSWUIJOWBJIH-OSAQELSMSA-N 1 0 306.837 3.519 10 0 DHAERO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)CCC2 ZINC000163851171 527109172 /nfs/dbraw/zinc/10/91/72/527109172.db2.gz QEJYWVKOAGVCPV-IRXDYDNUSA-N 1 0 315.486 3.721 10 0 DHAERO [NH3+]CCCCCCC(=O)NCCc1c(Cl)cccc1Cl ZINC000237985565 527172779 /nfs/dbraw/zinc/17/27/79/527172779.db2.gz RUPWUKDIUCTQME-UHFFFAOYSA-N 1 0 317.260 3.561 10 0 DHAERO Cn1cc([C@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)cn1 ZINC000128536407 527320039 /nfs/dbraw/zinc/32/00/39/527320039.db2.gz RINCXBQTOWBLQP-NSHDSACASA-N 1 0 310.228 3.716 10 0 DHAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C1 ZINC000238025772 527402409 /nfs/dbraw/zinc/40/24/09/527402409.db2.gz VOQGZWWVXPEASX-OLZOCXBDSA-N 1 0 320.408 3.603 10 0 DHAERO C[C@@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)[NH2+]CCc1ccsc12 ZINC000712516443 563320004 /nfs/dbraw/zinc/32/00/04/563320004.db2.gz UHUADMJORYLNES-SJKOYZFVSA-N 1 0 322.474 3.509 10 0 DHAERO COCCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000013722270 563387536 /nfs/dbraw/zinc/38/75/36/563387536.db2.gz JRDVYWBSLITYLO-UHFFFAOYSA-N 1 0 303.377 3.531 10 0 DHAERO c1ccc(CC[NH2+]Cc2cccc(Oc3ncccn3)c2)cc1 ZINC000013731557 563387927 /nfs/dbraw/zinc/38/79/27/563387927.db2.gz CHTGVZRYHOPCKM-UHFFFAOYSA-N 1 0 305.381 3.601 10 0 DHAERO Fc1cc([C@@H]([NH2+]C2CC2)C2CC2)c(F)cc1Br ZINC000725243718 563525717 /nfs/dbraw/zinc/52/57/17/563525717.db2.gz DYVQXOGJLXYLTJ-ZDUSSCGKSA-N 1 0 302.162 3.930 10 0 DHAERO C[NH2+]CCCNCc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010435502 563649151 /nfs/dbraw/zinc/64/91/51/563649151.db2.gz RBOZMPRTUXKIMJ-UHFFFAOYSA-N 1 0 318.848 3.618 10 0 DHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000190436721 563809387 /nfs/dbraw/zinc/80/93/87/563809387.db2.gz PBBFZKYDZGHBJD-BDXSIMOUSA-N 1 0 317.477 3.682 10 0 DHAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000675054413 563861940 /nfs/dbraw/zinc/86/19/40/563861940.db2.gz NKNKBHSPJJOESC-KBPBESRZSA-N 1 0 310.825 3.658 10 0 DHAERO CCc1cccc([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675055822 563910079 /nfs/dbraw/zinc/91/00/79/563910079.db2.gz ZBTYPFOYMUIKQY-CVEARBPZSA-N 1 0 304.434 3.648 10 0 DHAERO CC[NH+](CC)CCOc1ccc(/C=C/C(=O)c2ccncc2)cc1 ZINC000048523069 563923959 /nfs/dbraw/zinc/92/39/59/563923959.db2.gz XNJKCZLGZDYREG-JXMROGBWSA-N 1 0 324.424 3.698 10 0 DHAERO Cc1cc(C)n(CC2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000090474238 1032401729 /nfs/dbraw/zinc/40/17/29/1032401729.db2.gz ONCXWUBBVMPFRC-UHFFFAOYSA-N 1 0 301.409 3.551 10 0 DHAERO c1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c[nH]1 ZINC000093387237 1032536773 /nfs/dbraw/zinc/53/67/73/1032536773.db2.gz FAVOGNGVOHJIKQ-KRWDZBQOSA-N 1 0 306.413 3.784 10 0 DHAERO C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(n2cncn2)CC1 ZINC000078481314 1030965146 /nfs/dbraw/zinc/96/51/46/1030965146.db2.gz QCAXGKUGULYKGM-GFCCVEGCSA-N 1 0 324.350 3.695 10 0 DHAERO CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2OC)no1 ZINC000066405449 1035131685 /nfs/dbraw/zinc/13/16/85/1035131685.db2.gz NHUGNQBSJAMIDI-ZDUSSCGKSA-N 1 0 301.390 3.510 10 0 DHAERO CC(C)c1ccc([C@H]2C[NH2+]CCN2C(=O)OC(C)(C)C)cc1 ZINC000095752097 185383828 /nfs/dbraw/zinc/38/38/28/185383828.db2.gz IIIUXNQGLQPIMI-MRXNPFEDSA-N 1 0 304.434 3.691 10 0 DHAERO O=C(c1ccc(Br)c2ccccc12)C1CC[NH2+]CC1 ZINC000082726315 185197297 /nfs/dbraw/zinc/19/72/97/185197297.db2.gz HCAKTSGJMUKNCV-UHFFFAOYSA-N 1 0 318.214 3.785 10 0 DHAERO Clc1cnccc1COc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000088781079 185265565 /nfs/dbraw/zinc/26/55/65/185265565.db2.gz UPWOPSPUBAHNML-UHFFFAOYSA-N 1 0 300.789 3.691 10 0 DHAERO CN1CCC([NH2+]C[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000090453069 185297262 /nfs/dbraw/zinc/29/72/62/185297262.db2.gz NRTHPNCOSYRNMN-XHDPSFHLSA-N 1 0 313.272 3.781 10 0 DHAERO CC[C@@H](C)Oc1c(Br)cc(C[C@H](C)[NH3+])cc1OC ZINC000037724860 190665139 /nfs/dbraw/zinc/66/51/39/190665139.db2.gz JHCNBHNKNAPOKB-VHSXEESVSA-N 1 0 316.239 3.525 10 0 DHAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000235695745 201920881 /nfs/dbraw/zinc/92/08/81/201920881.db2.gz XIKZWNKQKRCMPS-NHCYSSNCSA-N 1 0 315.244 3.559 10 0 DHAERO CC(C)c1ccc([C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C(C)C)cc1 ZINC000150753766 186063433 /nfs/dbraw/zinc/06/34/33/186063433.db2.gz YIEZQKBDYQHYAC-OKZBNKHCSA-N 1 0 302.462 3.751 10 0 DHAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(-c2ccccc2)cc1 ZINC000150718235 186059797 /nfs/dbraw/zinc/05/97/97/186059797.db2.gz WOJZYRMFYLYNST-DNVCBOLYSA-N 1 0 308.425 3.673 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC000236815779 202023182 /nfs/dbraw/zinc/02/31/82/202023182.db2.gz WLDBZWLNJZYQAA-SNVBAGLBSA-N 1 0 309.460 3.554 10 0 DHAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000073654425 191336619 /nfs/dbraw/zinc/33/66/19/191336619.db2.gz AJCLSGHYNBJLKO-RDJZCZTQSA-N 1 0 318.461 3.764 10 0 DHAERO C[C@@H]1C[C@@H]([NH+]2CCCCC2)CCN1C(=O)OCc1ccccc1 ZINC000073657211 191338393 /nfs/dbraw/zinc/33/83/93/191338393.db2.gz CMRKWFVADLHJDM-AEFFLSMTSA-N 1 0 316.445 3.662 10 0 DHAERO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2sccc21 ZINC000725242507 563525683 /nfs/dbraw/zinc/52/56/83/563525683.db2.gz ABPYAMNPFKKMRC-PBHICJAKSA-N 1 0 324.490 3.658 10 0 DHAERO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2cc(C)ccc2OC1=O ZINC000005650099 181267817 /nfs/dbraw/zinc/26/78/17/181267817.db2.gz UGXZCGVBPHSEIC-OAQYLSRUSA-N 1 0 323.436 3.932 10 0 DHAERO CCC[C@@H]([NH3+])C(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl ZINC000236933244 202078577 /nfs/dbraw/zinc/07/85/77/202078577.db2.gz HHFALULSHIEANT-CYBMUJFWSA-N 1 0 317.260 3.558 10 0 DHAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000236955602 202091053 /nfs/dbraw/zinc/09/10/53/202091053.db2.gz BPUISTFYTNCKRV-INIZCTEOSA-N 1 0 306.475 3.928 10 0 DHAERO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[C@@H]1c1ccccc1 ZINC000236953878 202092488 /nfs/dbraw/zinc/09/24/88/202092488.db2.gz BZQKJHFXPBNYGB-OWYHZJEWSA-N 1 0 314.473 3.546 10 0 DHAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc2[nH]ccc21 ZINC000186897850 200028246 /nfs/dbraw/zinc/02/82/46/200028246.db2.gz XBGKTJOXJASHCB-CQSZACIVSA-N 1 0 314.433 3.554 10 0 DHAERO COc1cccc(C(=O)O[C@H](C)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000006409510 181339373 /nfs/dbraw/zinc/33/93/73/181339373.db2.gz FZUAYJQPOVHLAH-QLFBSQMISA-N 1 0 305.418 3.503 10 0 DHAERO NC(=[NH2+])Cc1ccc(OCc2ccccc2Br)cc1 ZINC000019517170 182127394 /nfs/dbraw/zinc/12/73/94/182127394.db2.gz SGALXDAMEMQZMG-UHFFFAOYSA-N 1 0 319.202 3.507 10 0 DHAERO CN([C@@H](C[NH3+])c1ccccc1Br)C1CCCCC1 ZINC000019478922 182125020 /nfs/dbraw/zinc/12/50/20/182125020.db2.gz YEDJQQOVIVSVRK-HNNXBMFYSA-N 1 0 311.267 3.713 10 0 DHAERO C[NH2+]Cc1ccc(OC)c(OCc2c(F)cccc2Cl)c1 ZINC000019777401 182147503 /nfs/dbraw/zinc/14/75/03/182147503.db2.gz ABLLFZGRTRLJES-UHFFFAOYSA-N 1 0 309.768 3.786 10 0 DHAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1ccccc1Br ZINC000019805212 182152220 /nfs/dbraw/zinc/15/22/20/182152220.db2.gz YZQYYVWKMGIKPG-INIZCTEOSA-N 1 0 319.246 3.975 10 0 DHAERO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1cc(Br)ccc1Br ZINC000019969155 182171378 /nfs/dbraw/zinc/17/13/78/182171378.db2.gz WKLLUROBLZILKX-AZTOOPQRSA-N 1 0 319.040 3.867 10 0 DHAERO [NH3+][C@@H](c1ccc(F)cc1F)c1ccc(Br)cc1F ZINC000019969033 182171506 /nfs/dbraw/zinc/17/15/06/182171506.db2.gz FMLSDTDMYNMXGL-CYBMUJFWSA-N 1 0 316.120 3.915 10 0 DHAERO COc1ccc([C@H]([NH3+])c2ccc(Br)cc2F)c(C)c1 ZINC000019972190 182172574 /nfs/dbraw/zinc/17/25/74/182172574.db2.gz LMRGVOAATZDYCI-HNNXBMFYSA-N 1 0 324.193 3.953 10 0 DHAERO CN(CCc1ccccc1)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000020226294 182198848 /nfs/dbraw/zinc/19/88/48/182198848.db2.gz UXAOHWIIKPLLQT-INIZCTEOSA-N 1 0 306.812 3.653 10 0 DHAERO Cc1sc(N)nc1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000020330627 182208549 /nfs/dbraw/zinc/20/85/49/182208549.db2.gz BAMPRJANEMIPED-UHFFFAOYSA-N 1 0 317.458 3.565 10 0 DHAERO CCCOc1c(Cl)cc(C[NH2+]CCCOC)cc1Cl ZINC000020926602 182254563 /nfs/dbraw/zinc/25/45/63/182254563.db2.gz WPKMDEZERUEVDD-UHFFFAOYSA-N 1 0 306.233 3.908 10 0 DHAERO CCCOc1c(C[NH2+]C(C)C)cc(Br)cc1OC ZINC000020934377 182255051 /nfs/dbraw/zinc/25/50/51/182255051.db2.gz FSQINQZUERHLSN-UHFFFAOYSA-N 1 0 316.239 3.745 10 0 DHAERO CN1CCC[C@H]([N@H+](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000022935734 182342309 /nfs/dbraw/zinc/34/23/09/182342309.db2.gz GWSDEZBGUQLVNF-ZDUSSCGKSA-N 1 0 301.261 3.562 10 0 DHAERO CC(C)C[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)N(C)C ZINC000036924210 182853059 /nfs/dbraw/zinc/85/30/59/182853059.db2.gz JICPAMGMQRPQHB-MNOVXSKESA-N 1 0 302.871 3.555 10 0 DHAERO CCCCCOc1ccc(Br)cc1C[C@@H](C)[NH3+] ZINC000037725148 182920543 /nfs/dbraw/zinc/92/05/43/182920543.db2.gz BDDMEIYYMIUERJ-LLVKDONJSA-N 1 0 300.240 3.908 10 0 DHAERO NC(=O)[C@H]([NH2+]C1CCCCCC1)c1ccc(Cl)cc1Cl ZINC000037970632 182945028 /nfs/dbraw/zinc/94/50/28/182945028.db2.gz GKPMKXLJGSXNNE-CQSZACIVSA-N 1 0 315.244 3.832 10 0 DHAERO Brc1ccc(C2CC([NH2+]CC[C@H]3CCCO3)C2)cc1 ZINC000038096132 182988827 /nfs/dbraw/zinc/98/88/27/182988827.db2.gz ZTJAWBVJWGKDJM-AVVWSFFYSA-N 1 0 324.262 3.854 10 0 DHAERO CC1CCN([C@@H](C[NH3+])c2ccc(OCc3ccccc3)cc2)CC1 ZINC000039789206 183021720 /nfs/dbraw/zinc/02/17/20/183021720.db2.gz UYOAZIWOIRHNSA-NRFANRHFSA-N 1 0 324.468 3.997 10 0 DHAERO Cc1ccc(Sc2ncnc(Nc3cc[nH+]cc3)c2N)cc1 ZINC000040687611 183117773 /nfs/dbraw/zinc/11/77/73/183117773.db2.gz UCLVFIKPTOFSIF-UHFFFAOYSA-N 1 0 309.398 3.657 10 0 DHAERO C[C@@H]1CCCC[N@@H+]1CC[C@H](O)c1ccc(Br)cc1 ZINC000041145252 183175843 /nfs/dbraw/zinc/17/58/43/183175843.db2.gz KNBPCVWMVHEVMW-DOMZBBRYSA-N 1 0 312.251 3.747 10 0 DHAERO CCCCC[C@@H](C[NH3+])N(C)Cc1csc(Br)c1 ZINC000042361418 183257769 /nfs/dbraw/zinc/25/77/69/183257769.db2.gz UKMZOAHQAWEFGO-LBPRGKRZSA-N 1 0 319.312 3.850 10 0 DHAERO CC(C)C[N@H+](CC(=O)c1ccc(Br)cc1)C(C)C ZINC000042587730 183287678 /nfs/dbraw/zinc/28/76/78/183287678.db2.gz CNLOXWZREZSFEU-UHFFFAOYSA-N 1 0 312.251 3.998 10 0 DHAERO CC(C)C[C@@H](C)[N@H+](C)CC(=O)c1ccc(Br)cc1 ZINC000042586606 183287736 /nfs/dbraw/zinc/28/77/36/183287736.db2.gz DDWHHBYMKKMJKH-GFCCVEGCSA-N 1 0 312.251 3.998 10 0 DHAERO C[C@H](CN1CCCC1)[NH2+][C@@H](C)c1sccc1Br ZINC000042598351 183289460 /nfs/dbraw/zinc/28/94/60/183289460.db2.gz PWFUXCCVSTWRFQ-MNOVXSKESA-N 1 0 317.296 3.646 10 0 DHAERO C[C@H]([NH3+])[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000042903298 183317329 /nfs/dbraw/zinc/31/73/29/183317329.db2.gz ALAQHZQHFLXOPU-XHDPSFHLSA-N 1 0 306.203 3.916 10 0 DHAERO C[C@@H]([NH3+])[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC000042903183 183317401 /nfs/dbraw/zinc/31/74/01/183317401.db2.gz CUEBBYBUOCUTCX-ABAIWWIYSA-N 1 0 306.203 3.916 10 0 DHAERO CCCN([C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+])C1CC1 ZINC000042952881 183322018 /nfs/dbraw/zinc/32/20/18/183322018.db2.gz MHRLNCRPMRFTQN-IAQYHMDHSA-N 1 0 311.267 3.712 10 0 DHAERO CCC(CC)[N@H+](C)[C@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042953363 183322347 /nfs/dbraw/zinc/32/23/47/183322347.db2.gz NKDZSIBPRYOEBH-ABAIWWIYSA-N 1 0 313.283 3.958 10 0 DHAERO CCC[NH+](CCC)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043019942 183328501 /nfs/dbraw/zinc/32/85/01/183328501.db2.gz MKSJAESILHQSSI-IUODEOHRSA-N 1 0 313.283 3.959 10 0 DHAERO CCC[N@H+](CC)[C@@H](c1cccc(Br)c1)[C@H](N)CC ZINC000043020349 183328583 /nfs/dbraw/zinc/32/85/83/183328583.db2.gz QYLOAELYHLEBLL-CABCVRRESA-N 1 0 313.283 3.959 10 0 DHAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)Cc1ccoc1 ZINC000043021195 183329455 /nfs/dbraw/zinc/32/94/55/183329455.db2.gz SNNRWYKVFOKSHA-XHDPSFHLSA-N 1 0 323.234 3.562 10 0 DHAERO CC(C)[C@H](C)[N@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020637 183330051 /nfs/dbraw/zinc/33/00/51/183330051.db2.gz NTQPJNSKHOARRQ-TYNCELHUSA-N 1 0 313.283 3.814 10 0 DHAERO CC(C)CCO[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043022869 183330468 /nfs/dbraw/zinc/33/04/68/183330468.db2.gz NERNXWHNNPOHJW-RISCZKNCSA-N 1 0 300.240 3.900 10 0 DHAERO [NH3+]C[C@@H](Sc1ccccn1)c1cccc(Br)c1 ZINC000043024421 183331171 /nfs/dbraw/zinc/33/11/71/183331171.db2.gz ULKUUDGQIJNKHY-GFCCVEGCSA-N 1 0 309.232 3.636 10 0 DHAERO CCc1nccn1[C@@H](c1ccccc1Br)[C@H]([NH3+])CC ZINC000043093915 183336606 /nfs/dbraw/zinc/33/66/06/183336606.db2.gz FYLRLYZGQGXLEU-HIFRSBDPSA-N 1 0 322.250 3.535 10 0 DHAERO C[C@H]([NH3+])[C@@H](OCc1ccco1)c1ccccc1Br ZINC000043094010 183336736 /nfs/dbraw/zinc/33/67/36/183336736.db2.gz IOKAYKJTYNTVEL-IINYFYTJSA-N 1 0 310.191 3.647 10 0 DHAERO CC(C)c1nccn1[C@@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043093770 183336824 /nfs/dbraw/zinc/33/68/24/183336824.db2.gz AHCQLALFAATMLS-SMDDNHRTSA-N 1 0 322.250 3.706 10 0 DHAERO CC(C)c1nccn1[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043093766 183336864 /nfs/dbraw/zinc/33/68/64/183336864.db2.gz AHCQLALFAATMLS-BXUZGUMPSA-N 1 0 322.250 3.706 10 0 DHAERO C[C@H]([NH3+])[C@H](Oc1ccccc1)c1ccccc1Br ZINC000043094345 183336914 /nfs/dbraw/zinc/33/69/14/183336914.db2.gz MJOJLCXNLPIRAO-NHYWBVRUSA-N 1 0 306.203 3.916 10 0 DHAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Br)cc1)c1cccs1 ZINC000043108230 183338294 /nfs/dbraw/zinc/33/82/94/183338294.db2.gz ORNXKRNFFWOTJF-NOZJJQNGSA-N 1 0 312.232 3.978 10 0 DHAERO CCCN(CCC)[C@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043090618 183335527 /nfs/dbraw/zinc/33/55/27/183335527.db2.gz KWFQZZOCBBMPRK-WFASDCNBSA-N 1 0 313.283 3.959 10 0 DHAERO CCCCN(CC)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043090953 183335627 /nfs/dbraw/zinc/33/56/27/183335627.db2.gz VBWMRTXMOKODNA-DOMZBBRYSA-N 1 0 313.283 3.959 10 0 DHAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(CC)C1CC1 ZINC000043091198 183335700 /nfs/dbraw/zinc/33/57/00/183335700.db2.gz XZMGRNKMLYEXQH-LSDHHAIUSA-N 1 0 311.267 3.712 10 0 DHAERO COc1ccc(O[C@H](C[NH3+])c2ccccc2Br)cc1 ZINC000043094446 183336545 /nfs/dbraw/zinc/33/65/45/183336545.db2.gz HVIBTDYACIBVCY-OAHLLOKOSA-N 1 0 322.202 3.537 10 0 DHAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(OC(F)F)cc3)C2)c1 ZINC000106219873 194190979 /nfs/dbraw/zinc/19/09/79/194190979.db2.gz VXRHICHRVVQYMQ-OAHLLOKOSA-N 1 0 321.371 3.630 10 0 DHAERO CCC[NH2+]C[C@@H](C)Cc1ccc(OC)c(Br)c1 ZINC000052965918 183882721 /nfs/dbraw/zinc/88/27/21/183882721.db2.gz FLSMSOHUIYSHQJ-NSHDSACASA-N 1 0 300.240 3.636 10 0 DHAERO CCC[NH2+]C[C@H]1CCN(c2ccc(Br)c(C)c2)C1 ZINC000053011461 183883557 /nfs/dbraw/zinc/88/35/57/183883557.db2.gz KADPSLWZVXFSGY-CYBMUJFWSA-N 1 0 311.267 3.583 10 0 DHAERO COc1ccc([C@H]([NH3+])Cc2cc(F)ccc2Br)cc1 ZINC000053787945 183912470 /nfs/dbraw/zinc/91/24/70/183912470.db2.gz NSRBVIPHPDEUBF-OAHLLOKOSA-N 1 0 324.193 3.839 10 0 DHAERO CCC[C@H](C[NH2+]CCOC)Cc1ccc(Br)s1 ZINC000054662787 183947561 /nfs/dbraw/zinc/94/75/61/183947561.db2.gz PARDIQLYIVJNOE-NSHDSACASA-N 1 0 320.296 3.705 10 0 DHAERO COCC[NH2+]C[C@@H](Cc1sccc1Br)C(C)C ZINC000054663289 183947677 /nfs/dbraw/zinc/94/76/77/183947677.db2.gz BCJOJMISYJUNMP-LLVKDONJSA-N 1 0 320.296 3.561 10 0 DHAERO Cc1cccc(N[C@@H](C[NH3+])c2cccc(Br)c2)c1 ZINC000057634082 184043075 /nfs/dbraw/zinc/04/30/75/184043075.db2.gz BLGFOWDBUVMUHU-HNNXBMFYSA-N 1 0 305.219 3.869 10 0 DHAERO Cc1cccc([C@@H](C[NH3+])Nc2ccc(Br)cc2)c1 ZINC000057634068 184043151 /nfs/dbraw/zinc/04/31/51/184043151.db2.gz HXIGKMBQYQQLOA-OAHLLOKOSA-N 1 0 305.219 3.869 10 0 DHAERO CC[NH2+]C[C@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000061228881 184166896 /nfs/dbraw/zinc/16/68/96/184166896.db2.gz MJDCVIZOVCHGHA-ZETCQYMHSA-N 1 0 309.624 3.831 10 0 DHAERO C[NH2+][C@@H](C)c1ccc(-n2nc(C)cc2C)c(Br)c1 ZINC000061698328 184183777 /nfs/dbraw/zinc/18/37/77/184183777.db2.gz ZYSHLFZJQGLFJY-NSHDSACASA-N 1 0 308.223 3.532 10 0 DHAERO C[C@H]([NH3+])c1ccc(-n2ncc3ccccc32)c(Br)c1 ZINC000061698505 184183942 /nfs/dbraw/zinc/18/39/42/184183942.db2.gz KDZOAOPMSQXUIB-JTQLQIEISA-N 1 0 316.202 3.808 10 0 DHAERO CC[C@@H]([NH2+]CCN(C)C1CC1)c1cccc(Br)c1 ZINC000061994458 184200284 /nfs/dbraw/zinc/20/02/84/184200284.db2.gz RXAZXNVMTWBSFA-OAHLLOKOSA-N 1 0 311.267 3.584 10 0 DHAERO CCCNC(=[NH2+])c1ccc(Br)cc1C(F)(F)F ZINC000062994621 184264795 /nfs/dbraw/zinc/26/47/95/184264795.db2.gz BMXZZQKZARKRNB-UHFFFAOYSA-N 1 0 309.129 3.793 10 0 DHAERO CC1(C)CCC[N@@H+]1CC[C@@H](O)c1cccc(Br)c1 ZINC000063073592 184269147 /nfs/dbraw/zinc/26/91/47/184269147.db2.gz GEVJXMYRDZZTHW-CQSZACIVSA-N 1 0 312.251 3.747 10 0 DHAERO C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1nc2ccccc2n1C ZINC000120433792 195165902 /nfs/dbraw/zinc/16/59/02/195165902.db2.gz FYNWUDKZACREEH-CRAIPNDOSA-N 1 0 322.456 3.527 10 0 DHAERO [NH3+][C@@H]1CCC[C@H](C(=O)N(Cc2ccccc2)C2CCCCC2)C1 ZINC000151880512 196741072 /nfs/dbraw/zinc/74/10/72/196741072.db2.gz XRLDDYJTVWZZIS-ZWKOTPCHSA-N 1 0 314.473 3.865 10 0 DHAERO C[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238856872 257260144 /nfs/dbraw/zinc/26/01/44/257260144.db2.gz XMRUFXRESHLTCT-INMHGKMJSA-N 1 0 318.461 3.810 10 0 DHAERO C[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238856873 257260170 /nfs/dbraw/zinc/26/01/70/257260170.db2.gz XMRUFXRESHLTCT-VYDXJSESSA-N 1 0 318.461 3.810 10 0 DHAERO C[C@@H]([NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1cccs1 ZINC000285137636 131141592 /nfs/dbraw/zinc/14/15/92/131141592.db2.gz LRIBXIDVBWHBQY-VXGBXAGGSA-N 1 0 310.463 3.654 10 0 DHAERO C[C@@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1cnn(C)c1 ZINC000163941290 132127685 /nfs/dbraw/zinc/12/76/85/132127685.db2.gz DGCUTMKNMFUQBG-PBHICJAKSA-N 1 0 311.429 3.907 10 0 DHAERO CCCNC(=O)CC[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000175172945 332877077 /nfs/dbraw/zinc/87/70/77/332877077.db2.gz ZNHFAEDQANATSO-FQEVSTJZSA-N 1 0 310.441 3.590 10 0 DHAERO CC1(C)CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000261691721 331759702 /nfs/dbraw/zinc/75/97/02/331759702.db2.gz HOESPCGCTLNYKY-LBPRGKRZSA-N 1 0 316.232 3.585 10 0 DHAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000089450372 331820524 /nfs/dbraw/zinc/82/05/24/331820524.db2.gz LEHSVKXUHLEIDM-PSASIEDQSA-N 1 0 320.742 3.672 10 0 DHAERO Cc1ccc([C@H](C)NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000262042930 331892857 /nfs/dbraw/zinc/89/28/57/331892857.db2.gz CAVJAKYRZMHQDI-HYVNUMGLSA-N 1 0 302.462 3.506 10 0 DHAERO COc1ccc([C@@H]([NH2+]C[C@@H]2CSCCS2)C2CC2)cc1 ZINC000091368915 331918527 /nfs/dbraw/zinc/91/85/27/331918527.db2.gz LUTCXSBCSNDTOO-CVEARBPZSA-N 1 0 309.500 3.585 10 0 DHAERO C[C@H]([NH2+][C@H]1CCc2sc(Br)cc21)[C@@H]1CCCO1 ZINC000293812970 331981585 /nfs/dbraw/zinc/98/15/85/331981585.db2.gz RSUWBRGOVJNTQL-LSJOCFKGSA-N 1 0 316.264 3.655 10 0 DHAERO [NH3+]C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000127315790 332001181 /nfs/dbraw/zinc/00/11/81/332001181.db2.gz OKEZWMJEIZWSQC-CQSZACIVSA-N 1 0 315.244 3.631 10 0 DHAERO [NH3+]C[C@@H](NC(=O)c1cc2ccccc2s1)C1CCCCC1 ZINC000127324708 332001305 /nfs/dbraw/zinc/00/13/05/332001305.db2.gz AGOOAAINLPQJOG-CQSZACIVSA-N 1 0 302.443 3.539 10 0 DHAERO C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000092136225 332112159 /nfs/dbraw/zinc/11/21/59/332112159.db2.gz HQYGBQVNRGETBA-CYBMUJFWSA-N 1 0 300.427 3.632 10 0 DHAERO Cc1cccc(CCC[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000181103121 332175471 /nfs/dbraw/zinc/17/54/71/332175471.db2.gz IVIAZVNXIVJCQB-UHFFFAOYSA-N 1 0 311.473 3.843 10 0 DHAERO CC[C@]1(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000215696451 332196810 /nfs/dbraw/zinc/19/68/10/332196810.db2.gz CLUIKQYVMHRRFX-MEBBXXQBSA-N 1 0 315.244 3.703 10 0 DHAERO [NH3+]C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@H]1c1ccccc1 ZINC000261773405 332272736 /nfs/dbraw/zinc/27/27/36/332272736.db2.gz SISRNPRUHGJUDR-CVEARBPZSA-N 1 0 318.823 3.653 10 0 DHAERO C[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)CCCC2 ZINC000261603940 332289072 /nfs/dbraw/zinc/28/90/72/332289072.db2.gz CEFTWNHZOUYPOL-CQSZACIVSA-N 1 0 320.436 3.660 10 0 DHAERO C[C@@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)c1ccc(Cl)s1 ZINC000261787234 332319946 /nfs/dbraw/zinc/31/99/46/332319946.db2.gz QBSPWFMJRWBUPF-PWSUYJOCSA-N 1 0 314.882 3.876 10 0 DHAERO C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000261625329 332434176 /nfs/dbraw/zinc/43/41/76/332434176.db2.gz BICAWYJQWWYZJU-HOCLYGCPSA-N 1 0 315.461 3.758 10 0 DHAERO COc1ccc([C@@H](C)[NH2+]Cc2ccnc(Cl)c2)cc1OC ZINC000180863446 333028849 /nfs/dbraw/zinc/02/88/49/333028849.db2.gz AJCFZGMKTDZVMD-LLVKDONJSA-N 1 0 306.793 3.603 10 0 DHAERO c1ncn([C@H]2CCC[N@@H+](CC3CCC(c4ccccc4)CC3)C2)n1 ZINC000189013592 333060719 /nfs/dbraw/zinc/06/07/19/333060719.db2.gz HSUWFJBDNYQTGM-UUKMXZOPSA-N 1 0 324.472 3.889 10 0 DHAERO CCn1c(C)nnc1CN[C@H](C)c1ccc(CC(C)C)cc1 ZINC000179030653 333145320 /nfs/dbraw/zinc/14/53/20/333145320.db2.gz JQTUMXKSYLFZRN-CQSZACIVSA-N 1 0 300.450 3.656 10 0 DHAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCCC(C)(F)F)C1 ZINC000390088791 333223593 /nfs/dbraw/zinc/22/35/93/333223593.db2.gz HPVREVDRWWIKNR-CYBMUJFWSA-N 1 0 320.424 3.659 10 0 DHAERO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000020548054 333322116 /nfs/dbraw/zinc/32/21/16/333322116.db2.gz ZCBLWZFFVHAXIF-OAHLLOKOSA-N 1 0 321.207 3.646 10 0 DHAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(Br)s2)C1 ZINC000040503004 333353600 /nfs/dbraw/zinc/35/36/00/333353600.db2.gz BXIFCRFKVZHBKK-WDEREUQCSA-N 1 0 317.296 3.646 10 0 DHAERO CCC[C@@H](C(=O)Nc1ccc(OC(C)C)cc1Cl)[NH+](C)C ZINC000188291670 333362974 /nfs/dbraw/zinc/36/29/74/333362974.db2.gz DIYHOCVNRRPYOF-HNNXBMFYSA-N 1 0 312.841 3.796 10 0 DHAERO C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1cc2ccccc2o1 ZINC000185345517 333369517 /nfs/dbraw/zinc/36/95/17/333369517.db2.gz UTXUMUPSRMGBJM-CQSZACIVSA-N 1 0 314.429 3.909 10 0 DHAERO COc1ccccc1C[C@@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000123984312 333483274 /nfs/dbraw/zinc/48/32/74/333483274.db2.gz NNBDYBWBIHAEQQ-APWZRJJASA-N 1 0 312.457 3.519 10 0 DHAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)NC1CCCCC1 ZINC000049129490 334314926 /nfs/dbraw/zinc/31/49/26/334314926.db2.gz KSEVGVZHQDSHCE-GHMZBOCLSA-N 1 0 314.882 3.890 10 0 DHAERO CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049129442 334315055 /nfs/dbraw/zinc/31/50/55/334315055.db2.gz IZKVVBLBHDEOAQ-MNOVXSKESA-N 1 0 302.871 3.603 10 0 DHAERO Cc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000101586611 334333314 /nfs/dbraw/zinc/33/33/14/334333314.db2.gz ZXEUGGULMPBHRR-CQSZACIVSA-N 1 0 300.377 3.814 10 0 DHAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000052001800 335783054 /nfs/dbraw/zinc/78/30/54/335783054.db2.gz FRIAGLCZYQLCFT-CVEARBPZSA-N 1 0 305.418 3.947 10 0 DHAERO C[C@H]1CCN(C(=O)Nc2cccc(C3CCC3)c2)[C@H](C[NH3+])C1 ZINC000333099145 336198039 /nfs/dbraw/zinc/19/80/39/336198039.db2.gz ANZZIGQVBFWNNS-GUYCJALGSA-N 1 0 301.434 3.545 10 0 DHAERO C[C@H]([NH2+]CCC(C)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000379180801 336258610 /nfs/dbraw/zinc/25/86/10/336258610.db2.gz PAJATNUZYKEWGP-STQMWFEESA-N 1 0 320.424 3.657 10 0 DHAERO CCS[C@@H]1CC[C@]1(O)CNc1cc[nH+]c2c(C)cccc12 ZINC000301637289 336319897 /nfs/dbraw/zinc/31/98/97/336319897.db2.gz AJEPTLSXUASZHI-WBVHZDCISA-N 1 0 302.443 3.602 10 0 DHAERO Cc1ccc(C(=O)NCCNc2cc[nH+]c3c(C)cccc23)cc1 ZINC000301674771 336322763 /nfs/dbraw/zinc/32/27/63/336322763.db2.gz PLWPBAYNFVRGSQ-UHFFFAOYSA-N 1 0 319.408 3.694 10 0 DHAERO Cc1cccc2c(N3CCN(c4cccs4)CC3)cc[nH+]c12 ZINC000301685802 336323361 /nfs/dbraw/zinc/32/33/61/336323361.db2.gz UMJQZMSHWFXVAY-UHFFFAOYSA-N 1 0 309.438 3.931 10 0 DHAERO CCc1cc(N2CCC3(CC2)OC[C@@H](C)O3)c2ccccc2[nH+]1 ZINC000301781772 336329412 /nfs/dbraw/zinc/32/94/12/336329412.db2.gz JCNZJPXWPBIKNK-CQSZACIVSA-N 1 0 312.413 3.529 10 0 DHAERO C[NH+](C)[C@H](CNc1ccc2c(Cl)ccnc2c1F)C1CC1 ZINC000301995945 336342109 /nfs/dbraw/zinc/34/21/09/336342109.db2.gz SQLXTESSLBYJQV-CQSZACIVSA-N 1 0 307.800 3.779 10 0 DHAERO CCCc1cc(NCCC2(C)OCCO2)c2ccccc2[nH+]1 ZINC000302178907 336352651 /nfs/dbraw/zinc/35/26/51/336352651.db2.gz YHPUREQNMMRMGN-UHFFFAOYSA-N 1 0 300.402 3.752 10 0 DHAERO COc1cc(C[NH2+][C@H]2C[C@@H]2C)ccc1OCc1cccs1 ZINC000105437891 336387463 /nfs/dbraw/zinc/38/74/63/336387463.db2.gz ZJMSANMKHUDIMD-WFASDCNBSA-N 1 0 303.427 3.834 10 0 DHAERO CC(C)[C@@](C)(C[NH3+])NCc1ccc(Cl)cc1Br ZINC000305295567 337023026 /nfs/dbraw/zinc/02/30/26/337023026.db2.gz IVRYVMVGVOCKCV-CYBMUJFWSA-N 1 0 319.674 3.566 10 0 DHAERO COc1ccc(CN(CC[NH3+])Cc2ccccc2)c2ccccc12 ZINC000305612233 337030534 /nfs/dbraw/zinc/03/05/34/337030534.db2.gz FVHMCSBPEIUSAQ-UHFFFAOYSA-N 1 0 320.436 3.809 10 0 DHAERO Cc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1Cl ZINC000193851710 337079583 /nfs/dbraw/zinc/07/95/83/337079583.db2.gz DAMIPBREFGKDMQ-UHFFFAOYSA-N 1 0 303.837 3.762 10 0 DHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cc(Br)cs1 ZINC000194050061 337081351 /nfs/dbraw/zinc/08/13/51/337081351.db2.gz UBUDQGONJKRLLD-HOSYDEDBSA-N 1 0 318.280 3.712 10 0 DHAERO Cc1csc([C@H]2CCC[N@H+](Cc3ccncc3Cl)C2)n1 ZINC000173757867 337136066 /nfs/dbraw/zinc/13/60/66/337136066.db2.gz SJILKAYCKPFHCY-ZDUSSCGKSA-N 1 0 307.850 3.880 10 0 DHAERO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1nnc(C)n1CC ZINC000173991610 337140339 /nfs/dbraw/zinc/14/03/39/337140339.db2.gz LIYRRULFGKLJJA-GOSISDBHSA-N 1 0 314.477 3.758 10 0 DHAERO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2o1)c1ccccc1 ZINC000174378894 337141286 /nfs/dbraw/zinc/14/12/86/337141286.db2.gz JGEFJEZXXXYJJM-FUHWJXTLSA-N 1 0 322.408 3.916 10 0 DHAERO Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000180127174 337171518 /nfs/dbraw/zinc/17/15/18/337171518.db2.gz QGMLYPGCHUQHIA-MRXNPFEDSA-N 1 0 309.413 3.911 10 0 DHAERO CCC[C@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1 ZINC000180634422 337176820 /nfs/dbraw/zinc/17/68/20/337176820.db2.gz JPXOGVRXHMGSQN-SJORKVTESA-N 1 0 312.461 3.847 10 0 DHAERO Cc1ccccc1[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccccc1 ZINC000180947580 337178845 /nfs/dbraw/zinc/17/88/45/337178845.db2.gz YSAXREORBDGLOQ-RXVVDRJESA-N 1 0 317.436 3.955 10 0 DHAERO CCOC(=O)C[C@](C)([NH2+]Cc1ccc2ccccc2n1)C(C)C ZINC000185236914 337203546 /nfs/dbraw/zinc/20/35/46/337203546.db2.gz NXBOFFZFWIIPCJ-IBGZPJMESA-N 1 0 314.429 3.692 10 0 DHAERO CN1C(=O)CCc2cc(C[N@@H+]3CCC[C@H]3c3ccco3)ccc21 ZINC000186966448 337261785 /nfs/dbraw/zinc/26/17/85/337261785.db2.gz PXVWVRZWEMVRGQ-KRWDZBQOSA-N 1 0 310.397 3.526 10 0 DHAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C12CCOCC2 ZINC000188725161 337274596 /nfs/dbraw/zinc/27/45/96/337274596.db2.gz JFSJMOUSGLWMLD-OALUTQOASA-N 1 0 315.457 3.628 10 0 DHAERO Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)c(C)c1 ZINC000190298419 337286591 /nfs/dbraw/zinc/28/65/91/337286591.db2.gz NVHBAMWJAXDEHL-MSOLQXFVSA-N 1 0 301.455 3.573 10 0 DHAERO CC[C@@H](C(=O)OC(C)(C)C)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000191977703 337302485 /nfs/dbraw/zinc/30/24/85/337302485.db2.gz YMCJDQDTIUSVLO-KBPBESRZSA-N 1 0 324.490 3.751 10 0 DHAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+]CC[C@H](C)CCC=C(C)C ZINC000193301751 337309709 /nfs/dbraw/zinc/30/97/09/337309709.db2.gz XOVTZXANLXOWHC-CVEARBPZSA-N 1 0 320.481 3.622 10 0 DHAERO C[NH+](C)C(C)(C)COc1ccc(Nc2ncc(Cl)cn2)cc1 ZINC000584629575 337376636 /nfs/dbraw/zinc/37/66/36/337376636.db2.gz ZMBRBIKZIMRFCK-UHFFFAOYSA-N 1 0 320.824 3.593 10 0 DHAERO CC(C)C[C@]1(c2cccc(O[C@H]3CCCCO3)c2)CC[NH2+]C1 ZINC000584650212 337380736 /nfs/dbraw/zinc/38/07/36/337380736.db2.gz PATGUNQKDRTKCQ-RBUKOAKNSA-N 1 0 303.446 3.869 10 0 DHAERO CCc1nccn1[C@H]1CCCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC000109676230 337388534 /nfs/dbraw/zinc/38/85/34/337388534.db2.gz BGKCLWINLQQPMU-HOTGVXAUSA-N 1 0 305.466 3.681 10 0 DHAERO CC(C)C1([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000379465588 337399001 /nfs/dbraw/zinc/39/90/01/337399001.db2.gz NBBZNYHPEWRSOQ-LLVKDONJSA-N 1 0 318.244 3.511 10 0 DHAERO Cc1cnn(CC[NH2+][C@@H]2CCCOc3ccc(C(C)C)cc32)c1 ZINC000123867930 337401830 /nfs/dbraw/zinc/40/18/30/337401830.db2.gz RJWUSBORZRNGEX-GOSISDBHSA-N 1 0 313.445 3.818 10 0 DHAERO CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1Cl ZINC000261819498 337611194 /nfs/dbraw/zinc/61/11/94/337611194.db2.gz SMGSAICBDXKJJQ-XJKCOSOUSA-N 1 0 308.853 3.528 10 0 DHAERO CC(C)(C)Sc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261883736 337612099 /nfs/dbraw/zinc/61/20/99/337612099.db2.gz ZLPDKUZEOVCLOK-IUODEOHRSA-N 1 0 306.475 3.891 10 0 DHAERO CC1(C)CN(C(=O)c2sccc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000261941608 337612826 /nfs/dbraw/zinc/61/28/26/337612826.db2.gz JJSKODJFTCQMQG-OAHLLOKOSA-N 1 0 314.454 3.615 10 0 DHAERO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000261957146 337613257 /nfs/dbraw/zinc/61/32/57/337613257.db2.gz ZTLFTEVEIZXRFW-IPMKNSEASA-N 1 0 322.452 3.529 10 0 DHAERO CCCN(C(=O)[C@@H](C)C1C[NH2+]C1)[C@@H](C)c1cc2ccccc2o1 ZINC000262528396 337618874 /nfs/dbraw/zinc/61/88/74/337618874.db2.gz LRJYQISTYDVVTL-KBPBESRZSA-N 1 0 314.429 3.588 10 0 DHAERO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2OC)cc1 ZINC000120434687 337873881 /nfs/dbraw/zinc/87/38/81/337873881.db2.gz WFZPQPVZZVLBJU-AWEZNQCLSA-N 1 0 312.413 3.547 10 0 DHAERO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000303081143 340300984 /nfs/dbraw/zinc/30/09/84/340300984.db2.gz ARLVUZYVGPCCQI-RTBURBONSA-N 1 0 319.489 3.712 10 0 DHAERO Cc1ccc([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)o1 ZINC000173189640 340359851 /nfs/dbraw/zinc/35/98/51/340359851.db2.gz RCDSVAABYCTJFT-QGZVFWFLSA-N 1 0 318.461 3.762 10 0 DHAERO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1Br ZINC000309848442 340433847 /nfs/dbraw/zinc/43/38/47/340433847.db2.gz HUOISVLFKMSYSO-OASPWFOLSA-N 1 0 300.265 3.994 10 0 DHAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C(C)=CCC[C@H]2C)C12CCOCC2 ZINC000187365380 340519330 /nfs/dbraw/zinc/51/93/30/340519330.db2.gz BWPJYUCJQQFATJ-VSZNYVQBSA-N 1 0 307.478 3.543 10 0 DHAERO C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000128516321 340892478 /nfs/dbraw/zinc/89/24/78/340892478.db2.gz KUQXIQCPLVUOHW-IBGZPJMESA-N 1 0 308.425 3.556 10 0 DHAERO CCO[C@@H](C)c1noc(CN[C@H](C)c2ccc(Cl)s2)n1 ZINC000130331741 341017220 /nfs/dbraw/zinc/01/72/20/341017220.db2.gz KUHLHBNDDLNOAT-BDAKNGLRSA-N 1 0 315.826 3.733 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000245458880 341295506 /nfs/dbraw/zinc/29/55/06/341295506.db2.gz KWGQNUGJSCEEOC-WHOFXGATSA-N 1 0 301.352 3.907 10 0 DHAERO c1cncc(-c2cccc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)c2)c1 ZINC000245541754 341300808 /nfs/dbraw/zinc/30/08/08/341300808.db2.gz OTVMBXYVKPGXSC-UXHICEINSA-N 1 0 308.425 3.892 10 0 DHAERO C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246086233 341324446 /nfs/dbraw/zinc/32/44/46/341324446.db2.gz FGEQOWGUHKKSNK-KGLIPLIRSA-N 1 0 317.383 3.855 10 0 DHAERO Cc1cc(C[C@H](C)[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)[nH]n1 ZINC000246308109 341341455 /nfs/dbraw/zinc/34/14/55/341341455.db2.gz DNXPLYWXLRWIIW-SOZUMNATSA-N 1 0 301.409 3.701 10 0 DHAERO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246351016 341343745 /nfs/dbraw/zinc/34/37/45/341343745.db2.gz MOJXIHBAAOEZEG-QXSJWSMHSA-N 1 0 304.434 3.595 10 0 DHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1nnc2n1CCCCC2 ZINC000246969883 341359360 /nfs/dbraw/zinc/35/93/60/341359360.db2.gz JARYDHSSSBIMTG-IKGGRYGDSA-N 1 0 318.509 3.597 10 0 DHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(F)cc1Br ZINC000248006808 341372160 /nfs/dbraw/zinc/37/21/60/341372160.db2.gz KXERZOCADJDNPS-QCZZGDTMSA-N 1 0 316.214 3.542 10 0 DHAERO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccn1 ZINC000248405158 341376808 /nfs/dbraw/zinc/37/68/08/341376808.db2.gz ANGFFOZOGBDJOQ-GZMOKQHVSA-N 1 0 321.468 3.643 10 0 DHAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000248609299 341381426 /nfs/dbraw/zinc/38/14/26/341381426.db2.gz VVYLRFXKWNXKQN-IXDOHACOSA-N 1 0 308.510 3.639 10 0 DHAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)c1 ZINC000157241982 341635132 /nfs/dbraw/zinc/63/51/32/341635132.db2.gz DYMWZXLYAYYYJK-HNNXBMFYSA-N 1 0 301.434 3.720 10 0 DHAERO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000179861425 518444330 /nfs/dbraw/zinc/44/43/30/518444330.db2.gz JTUQPHDOBLONIL-OTMARIDSSA-N 1 0 311.429 3.736 10 0 DHAERO CC(C)(C)COc1ccc2ccccc2c1CN1CC[NH2+]CC1 ZINC000085395149 518670998 /nfs/dbraw/zinc/67/09/98/518670998.db2.gz YUCCISYBXOFYEC-UHFFFAOYSA-N 1 0 312.457 3.670 10 0 DHAERO CC(C)c1ccc([C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C(C)C)cc1 ZINC000246731246 519840202 /nfs/dbraw/zinc/84/02/02/519840202.db2.gz YIEZQKBDYQHYAC-KZNAEPCWSA-N 1 0 302.462 3.751 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H]1CC(C)(C)c3ccccc31)CC2 ZINC000180529399 519896500 /nfs/dbraw/zinc/89/65/00/519896500.db2.gz OUSABHJVEVXHFG-YOEHRIQHSA-N 1 0 324.472 3.729 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1cc3ccccc3o1)CC2 ZINC000180506194 519896509 /nfs/dbraw/zinc/89/65/09/519896509.db2.gz KVBXCFDOOFFKEN-HIFRSBDPSA-N 1 0 324.428 3.813 10 0 DHAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc3c(c1)CCC3)CC2 ZINC000180515999 519896761 /nfs/dbraw/zinc/89/67/61/519896761.db2.gz YCJITTJBQZWDPN-KDOFPFPSSA-N 1 0 324.472 3.556 10 0 DHAERO C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000237275320 522131946 /nfs/dbraw/zinc/13/19/46/522131946.db2.gz PARFRYPJXGDLBA-RBUKOAKNSA-N 1 0 324.424 3.512 10 0 DHAERO Cc1cc(C)cc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190485202 524383612 /nfs/dbraw/zinc/38/36/12/524383612.db2.gz LTYIILRMKLTJPC-FQEVSTJZSA-N 1 0 323.484 3.652 10 0 DHAERO Cc1cccc([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000246732244 524843507 /nfs/dbraw/zinc/84/35/07/524843507.db2.gz YKVOSXKNDNOALC-SCTDSRPQSA-N 1 0 314.473 3.875 10 0 DHAERO Cc1ccccc1COc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000158358917 525174200 /nfs/dbraw/zinc/17/42/00/525174200.db2.gz NCTGLGAKDQGTDY-RDJZCZTQSA-N 1 0 324.424 3.640 10 0 DHAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c(C)s1 ZINC000180499162 525473796 /nfs/dbraw/zinc/47/37/96/525473796.db2.gz SOTKAUMDZXARGH-TZMCWYRMSA-N 1 0 318.490 3.745 10 0 DHAERO C[C@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCCO1 ZINC000161946415 525487390 /nfs/dbraw/zinc/48/73/90/525487390.db2.gz IFGGGTMXZFTNST-HZMBPMFUSA-N 1 0 324.396 3.745 10 0 DHAERO C[C@@H]([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)[C@@H]1CCCO1 ZINC000183089260 525553666 /nfs/dbraw/zinc/55/36/66/525553666.db2.gz YYRIYUZBKUGMOG-ABAIWWIYSA-N 1 0 306.793 3.652 10 0 DHAERO C[C@@H]([NH2+]Cc1csc(Nc2ccccc2)n1)[C@H]1CCCO1 ZINC000183102995 525556767 /nfs/dbraw/zinc/55/67/67/525556767.db2.gz PQMHOIOPWPPXMV-IUODEOHRSA-N 1 0 303.431 3.544 10 0 DHAERO Cc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(C(C)C)n2)cc1 ZINC000070455986 525818242 /nfs/dbraw/zinc/81/82/42/525818242.db2.gz MSUUAQFYGXDTCR-UHFFFAOYSA-N 1 0 324.472 3.987 10 0 DHAERO Cc1ccsc1C[N@H+]1CCCN(Cc2csc(C)n2)CC1 ZINC000157250805 525844349 /nfs/dbraw/zinc/84/43/49/525844349.db2.gz FXOKKMCVXVELCD-UHFFFAOYSA-N 1 0 321.515 3.529 10 0 DHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c(C)c1 ZINC000180532641 525946434 /nfs/dbraw/zinc/94/64/34/525946434.db2.gz UMQDERKMIMKAMQ-HOTGVXAUSA-N 1 0 312.461 3.684 10 0 DHAERO Cc1cnc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)s1 ZINC000180523878 526016036 /nfs/dbraw/zinc/01/60/36/526016036.db2.gz CWFZYLFODLXSRG-CVEARBPZSA-N 1 0 302.443 3.540 10 0 DHAERO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227803010 526053079 /nfs/dbraw/zinc/05/30/79/526053079.db2.gz QPMFCESGRVMVKT-JFGNBEQYSA-N 1 0 315.244 3.640 10 0 DHAERO C[C@H](CC(=O)N[C@@H](C)c1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000148806651 526243748 /nfs/dbraw/zinc/24/37/48/526243748.db2.gz RQUUJCCNELKROM-HZSPNIEDSA-N 1 0 308.853 3.543 10 0 DHAERO Cc1nc2c(s1)[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)CCC2 ZINC000163851048 527113705 /nfs/dbraw/zinc/11/37/05/527113705.db2.gz QEJYWVKOAGVCPV-SJORKVTESA-N 1 0 315.486 3.721 10 0 DHAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(OCC3CC3)cc2)cn1 ZINC000191322872 527317248 /nfs/dbraw/zinc/31/72/48/527317248.db2.gz ZTNCKUHGHQQJBH-LJQANCHMSA-N 1 0 311.429 3.546 10 0 DHAERO OC[C@@H]1C[N@H+](CCCCc2ccccc2)C[C@H]1c1ccsc1 ZINC000188073170 527594239 /nfs/dbraw/zinc/59/42/39/527594239.db2.gz PKGNVKAZEUFNLX-OALUTQOASA-N 1 0 315.482 3.779 10 0 DHAERO Cn1nccc1C1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000132115768 527599032 /nfs/dbraw/zinc/59/90/32/527599032.db2.gz VIOOCYDXRDPPSZ-LJQANCHMSA-N 1 0 313.420 3.816 10 0 DHAERO CCC1CCC([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000328639892 527857962 /nfs/dbraw/zinc/85/79/62/527857962.db2.gz PUBFMBDIGKSTFV-UIDNRLJLSA-N 1 0 301.478 3.633 10 0 DHAERO CCc1c(C)[nH+]c2ccccc2c1N1CCC[C@@H](n2cncn2)C1 ZINC000272231491 536071749 /nfs/dbraw/zinc/07/17/49/536071749.db2.gz PDCZYLHCZQZVOA-OAHLLOKOSA-N 1 0 321.428 3.539 10 0 DHAERO Cc1cccc([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1C ZINC000675053677 563861457 /nfs/dbraw/zinc/86/14/57/563861457.db2.gz JYTJHBPPPXGEBR-ZBFHGGJFSA-N 1 0 304.434 3.703 10 0 DHAERO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068593163 563495450 /nfs/dbraw/zinc/49/54/50/563495450.db2.gz SUMRNPXVOUVXAY-INMHGKMJSA-N 1 0 318.461 3.810 10 0 DHAERO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000068593003 563495890 /nfs/dbraw/zinc/49/58/90/563495890.db2.gz UCWSKARTULHLTN-INMHGKMJSA-N 1 0 318.461 3.810 10 0 DHAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000724104154 563496408 /nfs/dbraw/zinc/49/64/08/563496408.db2.gz ZBNKOMVMBKYIMY-PXAZEXFGSA-N 1 0 322.474 3.556 10 0 DHAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000724104155 563496527 /nfs/dbraw/zinc/49/65/27/563496527.db2.gz ZBNKOMVMBKYIMY-SJCJKPOMSA-N 1 0 322.474 3.556 10 0 DHAERO Cc1ccc([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1C ZINC000675052582 563780533 /nfs/dbraw/zinc/78/05/33/563780533.db2.gz BRMCYHPBBQISDI-HOTGVXAUSA-N 1 0 304.434 3.703 10 0 DHAERO Cc1cc(C)cc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675052776 563855933 /nfs/dbraw/zinc/85/59/33/563855933.db2.gz FCLOVKJKIGZFJS-CVEARBPZSA-N 1 0 304.434 3.621 10 0 DHAERO