smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCSc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000095739418 185024193 /nfs/dbraw/zinc/02/41/93/185024193.db2.gz CQPAXLKQYRGDRE-UHFFFAOYSA-N 1 0 251.395 3.273 40 0 CGABRO c1coc(CN2CC3(C2)CC[N@H+](Cc2ccsc2)C3)c1 ZINC000096046479 185071664 /nfs/dbraw/zinc/07/16/64/185071664.db2.gz KZOQRYXDFZFDQN-UHFFFAOYSA-N 1 0 288.416 3.049 40 0 CGABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096048104 185073077 /nfs/dbraw/zinc/07/30/77/185073077.db2.gz RFEVOCVVZDSZBF-CQSZACIVSA-N 1 0 295.448 3.217 40 0 CGABRO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@H]12 ZINC000096058415 185079163 /nfs/dbraw/zinc/07/91/63/185079163.db2.gz IHFWJQMJMIROBC-OALUTQOASA-N 1 0 296.414 3.127 40 0 CGABRO C[C@@H]1CO[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000096073307 185087897 /nfs/dbraw/zinc/08/78/97/185087897.db2.gz KTYKHZUYFLNWKG-DOTOQJQBSA-N 1 0 259.393 3.120 40 0 CGABRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038859250 344956729 /nfs/dbraw/zinc/95/67/29/344956729.db2.gz XTPOZRGMFGQZBX-WBVHZDCISA-N 1 0 288.435 3.203 40 0 CGABRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038859252 344956897 /nfs/dbraw/zinc/95/68/97/344956897.db2.gz XTPOZRGMFGQZBX-RDJZCZTQSA-N 1 0 288.435 3.203 40 0 CGABRO c1ccc(COc2ccc([C@H]3CC[NH2+]C3)cc2)cc1 ZINC000075725105 345520646 /nfs/dbraw/zinc/52/06/46/345520646.db2.gz RKTOXDUTDONIFA-INIZCTEOSA-N 1 0 253.345 3.343 40 0 CGABRO C[C@@H](C[NH3+])n1cc(-c2ccc(C(C)(C)C)cc2)cn1 ZINC000085390919 179047823 /nfs/dbraw/zinc/04/78/23/179047823.db2.gz HYAWQKWAESDIPP-LBPRGKRZSA-N 1 0 257.381 3.367 40 0 CGABRO Cc1c[nH]c(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000085395447 179049341 /nfs/dbraw/zinc/04/93/41/179049341.db2.gz BRIUUZOXFFENMX-UHFFFAOYSA-N 1 0 255.365 3.098 40 0 CGABRO CC(C)N1C[C@@]2(CCC[N@@H+]([C@@H](C)c3ccccc3)C2)C1=O ZINC000585099443 346724379 /nfs/dbraw/zinc/72/43/79/346724379.db2.gz JNQCJPAYAYGKAR-YJBOKZPZSA-N 1 0 286.419 3.080 40 0 CGABRO CC(C)n1nccc1-c1cccc(CC2CC[NH2+]CC2)n1 ZINC000585180193 346726149 /nfs/dbraw/zinc/72/61/49/346726149.db2.gz CLXGBOXOERNVHW-UHFFFAOYSA-N 1 0 284.407 3.068 40 0 CGABRO CCOc1ncc(C)cc1NC1CC[NH+](C(C)C)CC1 ZINC000449368015 239352636 /nfs/dbraw/zinc/35/26/36/239352636.db2.gz BHQBNZPOQNTCPP-UHFFFAOYSA-N 1 0 277.412 3.073 40 0 CGABRO O=C(/C=C/c1ccco1)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000000307490 368338501 /nfs/dbraw/zinc/33/85/01/368338501.db2.gz NXLHVPKRTYHUOA-IVFUDNFBSA-N 1 0 289.375 3.101 40 0 CGABRO CCCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000000514975 368382386 /nfs/dbraw/zinc/38/23/86/368382386.db2.gz MQRSTKOLJPGZMS-UHFFFAOYSA-N 1 0 260.381 3.411 40 0 CGABRO CC[C@](O)(c1ccccc1)[C@H](C)C[NH+]1CCCCC1 ZINC000001641271 368426084 /nfs/dbraw/zinc/42/60/84/368426084.db2.gz DQARXIRSJUEDFK-NVXWUHKLSA-N 1 0 261.409 3.406 40 0 CGABRO CC[C@@H](COC(=O)c1ccccc1)[NH2+]C1CCCC1 ZINC000001997717 368443618 /nfs/dbraw/zinc/44/36/18/368443618.db2.gz NTBMZGYXAKYTOQ-AWEZNQCLSA-N 1 0 261.365 3.154 40 0 CGABRO CCCC[C@@H](CC)C[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001995953 368443685 /nfs/dbraw/zinc/44/36/85/368443685.db2.gz PEBLHSOBDXIVIY-CQSZACIVSA-N 1 0 292.423 3.232 40 0 CGABRO CC(C)(CO)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000001666396 368428037 /nfs/dbraw/zinc/42/80/37/368428037.db2.gz KWCHJFLEYABKMF-KRWDZBQOSA-N 1 0 269.388 3.331 40 0 CGABRO CC1=C[C@@H](C)[C@H]([C@@H]2OC[C@H](C[NH+]3CCCCC3)O2)[C@H](C)C1 ZINC000004094073 368530151 /nfs/dbraw/zinc/53/01/51/368530151.db2.gz RJXDBTDFBZRPHG-DFBDCSAJSA-N 1 0 293.451 3.452 40 0 CGABRO Cc1ccc2oc(C(=O)O[C@@H](C)[C@@H](C)C[NH+](C)C)cc2c1 ZINC000004610641 368553484 /nfs/dbraw/zinc/55/34/84/368553484.db2.gz QXYDVBRXVKOZGO-STQMWFEESA-N 1 0 289.375 3.484 40 0 CGABRO COCCC[N@H+](Cc1ccc(C)s1)Cc1ccccn1 ZINC000013990883 368672904 /nfs/dbraw/zinc/67/29/04/368672904.db2.gz FYADLFJBZKADSQ-UHFFFAOYSA-N 1 0 290.432 3.490 40 0 CGABRO Cc1ccc2cc(C[NH2+]Cc3ccccc3F)c(=O)[nH]c2c1 ZINC000013998411 368673244 /nfs/dbraw/zinc/67/32/44/368673244.db2.gz URWUDBJYHUSIPJ-UHFFFAOYSA-N 1 0 296.345 3.265 40 0 CGABRO [NH3+]Cc1ccc(-c2ccccc2Br)o1 ZINC000019413970 368751792 /nfs/dbraw/zinc/75/17/92/368751792.db2.gz PSBGEGVZCYKNCA-UHFFFAOYSA-N 1 0 252.111 3.168 40 0 CGABRO Cc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(C(C)(C)C)c1 ZINC000026781084 368863900 /nfs/dbraw/zinc/86/39/00/368863900.db2.gz GPFQDYAUIGQVJS-CQSZACIVSA-N 1 0 279.424 3.030 40 0 CGABRO Clc1cccc(Cl)c1COC[C@@H]1CCC[NH2+]1 ZINC000028521865 368886538 /nfs/dbraw/zinc/88/65/38/368886538.db2.gz QMWLTJAGYVUHMR-VIFPVBQESA-N 1 0 260.164 3.262 40 0 CGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCCC1 ZINC000032462020 368931364 /nfs/dbraw/zinc/93/13/64/368931364.db2.gz UYCZMJZODOCFOL-UHFFFAOYSA-N 1 0 286.419 3.089 40 0 CGABRO Nc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212387 369815673 /nfs/dbraw/zinc/81/56/73/369815673.db2.gz CVOIMRCRDZMQJN-INIZCTEOSA-N 1 0 267.376 3.391 40 0 CGABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)C ZINC000072212678 369815832 /nfs/dbraw/zinc/81/58/32/369815832.db2.gz QBNYAUNNSDGZPE-OAHLLOKOSA-N 1 0 261.413 3.331 40 0 CGABRO COc1c(C)cc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc1C ZINC000095095396 370174823 /nfs/dbraw/zinc/17/48/23/370174823.db2.gz DICFDMFKDVZNAC-CYBMUJFWSA-N 1 0 287.363 3.177 40 0 CGABRO CC1CCN([C@@H](C[NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000095532283 370201872 /nfs/dbraw/zinc/20/18/72/370201872.db2.gz RHNNCDOJOWDLRB-AWEZNQCLSA-N 1 0 286.341 3.437 40 0 CGABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000096158723 370205118 /nfs/dbraw/zinc/20/51/18/370205118.db2.gz POKISBQDFBNNJB-QGZVFWFLSA-N 1 0 289.419 3.155 40 0 CGABRO COc1cccc(CC[NH2+]Cc2cnn(C3CCCC3)c2)c1 ZINC000256051831 190003773 /nfs/dbraw/zinc/00/37/73/190003773.db2.gz KQZIEVHDRUINLY-UHFFFAOYSA-N 1 0 299.418 3.339 40 0 CGABRO FC(F)(F)CC[NH+]1CCC(Cc2ccncc2)CC1 ZINC000257284500 190026409 /nfs/dbraw/zinc/02/64/09/190026409.db2.gz PCXRDJXQZPGIFP-UHFFFAOYSA-N 1 0 272.314 3.289 40 0 CGABRO COc1cccc(-n2cccc2C[NH2+]CC(C)C)c1 ZINC000223688563 376259373 /nfs/dbraw/zinc/25/93/73/376259373.db2.gz XKVXHMDYLZQBPO-UHFFFAOYSA-N 1 0 258.365 3.232 40 0 CGABRO COCCC[NH2+]Cc1ccn(C2CCCCC2)c1 ZINC000223694039 376261058 /nfs/dbraw/zinc/26/10/58/376261058.db2.gz VPICYIVDTQCOEO-UHFFFAOYSA-N 1 0 250.386 3.119 40 0 CGABRO CCCCn1c(C)c(C[NH2+]C)c2cc(OC)ccc21 ZINC000223758667 376262611 /nfs/dbraw/zinc/26/26/11/376262611.db2.gz BVPOPFPPBPGJDD-UHFFFAOYSA-N 1 0 260.381 3.478 40 0 CGABRO CCCOc1ccccc1[C@@H](C)[NH2+]CCCOC ZINC000225161176 376296254 /nfs/dbraw/zinc/29/62/54/376296254.db2.gz SHPWNBMXOQVBOD-CYBMUJFWSA-N 1 0 251.370 3.163 40 0 CGABRO [NH3+]C[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000054561860 392093513 /nfs/dbraw/zinc/09/35/13/392093513.db2.gz LZPGXIBBYHVXSV-NVXWUHKLSA-N 1 0 253.345 3.328 40 0 CGABRO CC[C@@H]([NH3+])c1cnc(NCc2ccccc2)c(C)c1 ZINC000072222338 392201235 /nfs/dbraw/zinc/20/12/35/392201235.db2.gz QKSLSOCQDYXSGX-OAHLLOKOSA-N 1 0 255.365 3.412 40 0 CGABRO Cc1nc(Br)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224007 392202922 /nfs/dbraw/zinc/20/29/22/392202922.db2.gz SXUNVIBHCDXZLM-ZDUSSCGKSA-N 1 0 277.165 3.201 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccc(-c2ccnn2C)n1 ZINC000257297094 393135835 /nfs/dbraw/zinc/13/58/35/393135835.db2.gz RFUYHGZADHZDKU-MRXNPFEDSA-N 1 0 270.380 3.027 40 0 CGABRO COc1ccc2c(c1)C=C(/C=C/c1cccc[n+]1C)CO2 ZINC000005002343 170053074 /nfs/dbraw/zinc/05/30/74/170053074.db2.gz DKHJMJXWQWLAHR-VOTSOKGWSA-N 1 0 280.347 3.009 40 0 CGABRO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000005051597 170061407 /nfs/dbraw/zinc/06/14/07/170061407.db2.gz HVITVSLACDLDPT-ZOBUZTSGSA-N 1 0 291.435 3.021 40 0 CGABRO OC1(Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000005682413 170127919 /nfs/dbraw/zinc/12/79/19/170127919.db2.gz JUJMPQYWZWZMBX-UHFFFAOYSA-N 1 0 281.399 3.256 40 0 CGABRO CCCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000006324981 170191360 /nfs/dbraw/zinc/19/13/60/170191360.db2.gz PQAWTKDGLUPFGC-DOTOQJQBSA-N 1 0 291.435 3.253 40 0 CGABRO CC[C@@H](OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000006356112 170195103 /nfs/dbraw/zinc/19/51/03/170195103.db2.gz KZUCROJGSXJBCA-RYQLBKOJSA-N 1 0 291.435 3.390 40 0 CGABRO COc1ccc([C@H](C[NH3+])c2c[nH]c3ccccc32)cc1OC ZINC000006645713 170221960 /nfs/dbraw/zinc/22/19/60/170221960.db2.gz OXLBNWSOHKGKCV-AWEZNQCLSA-N 1 0 296.370 3.276 40 0 CGABRO CCCCC[NH2+]Cc1cccc(OC)c1OCC ZINC000007261342 170274022 /nfs/dbraw/zinc/27/40/22/170274022.db2.gz FKPQPBHGHBELOY-UHFFFAOYSA-N 1 0 251.370 3.374 40 0 CGABRO CCOc1ccc(C[NH2+][C@@H](C)CC)cc1OCC ZINC000008326727 170331228 /nfs/dbraw/zinc/33/12/28/170331228.db2.gz MTXHBNNRUYDGMZ-LBPRGKRZSA-N 1 0 251.370 3.372 40 0 CGABRO COc1cc(C=O)ccc1OCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000008731573 170351095 /nfs/dbraw/zinc/35/10/95/170351095.db2.gz MVAMVOKYOOMUMS-CQSZACIVSA-N 1 0 291.391 3.009 40 0 CGABRO CCOc1cc2c(cc1OCC)[C@H](c1cccnc1)[NH2+]CC2 ZINC000020507121 171228986 /nfs/dbraw/zinc/22/89/86/171228986.db2.gz FEJWDECINNPEIH-SFHVURJKSA-N 1 0 298.386 3.114 40 0 CGABRO C[C@H](CCc1ccc(O)cc1)[NH2+]CCc1ccc(O)cc1 ZINC000040735442 174389216 /nfs/dbraw/zinc/38/92/16/174389216.db2.gz SIPCJKBZUBDKLP-CQSZACIVSA-N 1 0 285.387 3.251 40 0 in-vitro CGABRO Clc1ccc(CNC[C@H]2CCCC[NH2+]2)cc1Cl ZINC000072203657 176341481 /nfs/dbraw/zinc/34/14/81/176341481.db2.gz BRYNZNMTVPHSCC-LLVKDONJSA-N 1 0 273.207 3.225 40 0 CGABRO C[NH2+]C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000072203621 176341634 /nfs/dbraw/zinc/34/16/34/176341634.db2.gz VNWUHMIPDGTASK-UHFFFAOYSA-N 1 0 273.207 3.177 40 0 CGABRO Cc1ccccc1-c1cncc(C2CC[NH+](C)CC2)n1 ZINC000072359268 176376941 /nfs/dbraw/zinc/37/69/41/176376941.db2.gz NICYAPAAVHSISU-UHFFFAOYSA-N 1 0 267.376 3.261 40 0 CGABRO Fc1ccc(Cc2cnc(C[C@H]3CCC[NH2+]CC3)cn2)cc1 ZINC000072363332 176377289 /nfs/dbraw/zinc/37/72/89/176377289.db2.gz JRXIUSYJMCLYMY-AWEZNQCLSA-N 1 0 299.393 3.139 40 0 CGABRO Cc1ccc(NC(=O)c2cccc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000072365584 176380801 /nfs/dbraw/zinc/38/08/01/176380801.db2.gz RFIMISJHZXNXCR-CQSZACIVSA-N 1 0 295.386 3.109 40 0 CGABRO Cc1cccc(C[C@@H]2COCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072381036 176387513 /nfs/dbraw/zinc/38/75/13/176387513.db2.gz PNKDCXKUGQPZRP-INIZCTEOSA-N 1 0 288.435 3.214 40 0 CGABRO COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C)C2)c1 ZINC000072385061 176389375 /nfs/dbraw/zinc/38/93/75/176389375.db2.gz KPPRRBMPRNNKNT-HNNXBMFYSA-N 1 0 285.391 3.106 40 0 CGABRO Cc1cccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000013670132 260074943 /nfs/dbraw/zinc/07/49/43/260074943.db2.gz AYNPIRAMZOQULF-IYBDPMFKSA-N 1 0 288.435 3.093 40 0 CGABRO CC(C)Nc1ncc(C[NH2+][C@@H](C)c2ccccc2)cn1 ZINC000062717600 262300048 /nfs/dbraw/zinc/30/00/48/262300048.db2.gz AXNWLNKHJMLRRO-ZDUSSCGKSA-N 1 0 270.380 3.148 40 0 CGABRO Cc1cc(-c2cnc(C3CC3)o2)cc2c1C[NH2+]CC2 ZINC000530250412 270197827 /nfs/dbraw/zinc/19/78/27/270197827.db2.gz JLOZYTMLDGTWLP-UHFFFAOYSA-N 1 0 254.333 3.173 40 0 CGABRO COc1ccc2ccccc2c1[C@@H](C[NH3+])N1CCCCC1 ZINC000032055278 274141709 /nfs/dbraw/zinc/14/17/09/274141709.db2.gz KXFYSDUDMGNQDA-MRXNPFEDSA-N 1 0 284.403 3.334 40 0 CGABRO Cc1nc(N2CCc3ccccc32)ccc1[C@@H](C)[NH3+] ZINC000072224991 274842871 /nfs/dbraw/zinc/84/28/71/274842871.db2.gz BXAPXTISGRKCDT-LLVKDONJSA-N 1 0 253.349 3.104 40 0 CGABRO C([C@H]1C[C@H]1C1CCCCC1)[N@@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000242554662 275398076 /nfs/dbraw/zinc/39/80/76/275398076.db2.gz MSFDEISPJHZVBL-VSZNYVQBSA-N 1 0 276.468 3.419 40 0 CGABRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[NH3+])c2ccccc21 ZINC000026896378 275523220 /nfs/dbraw/zinc/52/32/20/275523220.db2.gz SHVKRMBNOZXRGQ-BXUZGUMPSA-N 1 0 276.380 3.089 40 0 CGABRO CC(C)[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096047897 275686840 /nfs/dbraw/zinc/68/68/40/275686840.db2.gz XQOPGEDYKLARAF-AWEZNQCLSA-N 1 0 263.381 3.307 40 0 CGABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000096106537 277667555 /nfs/dbraw/zinc/66/75/55/277667555.db2.gz LNFSWANUIKUKNX-HNNXBMFYSA-N 1 0 295.810 3.110 40 0 CGABRO CC1=C[C@@H](C)[C@H]([C@@H]2OC[C@H](C[NH+]3CCCCC3)O2)[C@@H](C)C1 ZINC000004094074 278505825 /nfs/dbraw/zinc/50/58/25/278505825.db2.gz RJXDBTDFBZRPHG-RSJGLCBASA-N 1 0 293.451 3.452 40 0 CGABRO [NH3+]C[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000038827626 295264610 /nfs/dbraw/zinc/26/46/10/295264610.db2.gz BDHOAZLEYNPWKF-CYBMUJFWSA-N 1 0 273.207 3.479 40 0 CGABRO [NH3+]C[C@@H](c1ccccc1OC(F)(F)F)N1CCCCC1 ZINC000095532272 303393815 /nfs/dbraw/zinc/39/38/15/303393815.db2.gz VUWKPUFZNIPSJY-LBPRGKRZSA-N 1 0 288.313 3.071 40 0 CGABRO CC[NH+](CC)CCOC(=O)C[C@H](C)c1ccccc1 ZINC000255190201 567110454 /nfs/dbraw/zinc/11/04/54/567110454.db2.gz VPPXECZMBUTPGE-AWEZNQCLSA-N 1 0 263.381 3.065 40 0 CGABRO CC1CCN([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000095532277 185005318 /nfs/dbraw/zinc/00/53/18/185005318.db2.gz ZGXAPCFMMRTKNV-AWEZNQCLSA-N 1 0 286.341 3.437 40 0 CGABRO [NH3+][C@H](Cc1ccccc1)c1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000095534845 185007896 /nfs/dbraw/zinc/00/78/96/185007896.db2.gz YUJOXFMKTKXHPL-CQSZACIVSA-N 1 0 298.777 3.368 40 0 CGABRO C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCC2=O ZINC000095951596 185040225 /nfs/dbraw/zinc/04/02/25/185040225.db2.gz KHAPISMIZVTJAL-VYDXJSESSA-N 1 0 257.377 3.109 40 0 biogenic CGABRO CO[C@@H]1CC[N@H+](Cc2ccc(C)o2)[C@H]1Cc1ccccc1 ZINC000096061573 185082769 /nfs/dbraw/zinc/08/27/69/185082769.db2.gz LSODTWBEWXASTD-ZWKOTPCHSA-N 1 0 285.387 3.420 40 0 CGABRO CCCCCN1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC000096070803 185086329 /nfs/dbraw/zinc/08/63/29/185086329.db2.gz GZCCXOXXBGTCCG-UHFFFAOYSA-N 1 0 272.436 3.385 40 0 CGABRO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH]c1=O ZINC000072217983 345406327 /nfs/dbraw/zinc/40/63/27/345406327.db2.gz XWCWQQWEYDGEQO-KRWDZBQOSA-N 1 0 282.387 3.411 40 0 CGABRO Cc1ccc(OCC2(O)CC[NH+](C3CCCC3)CC2)cc1 ZINC000585268965 346725752 /nfs/dbraw/zinc/72/57/52/346725752.db2.gz FUCJOCUNQUHHHV-UHFFFAOYSA-N 1 0 289.419 3.143 40 0 CGABRO CCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585289033 346726142 /nfs/dbraw/zinc/72/61/42/346726142.db2.gz CZZBILNGAKSFMI-RRFJBIMHSA-N 1 0 283.799 3.000 40 0 CGABRO C[NH2+][C@H]1CC[C@H](N(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000100178472 290836298 /nfs/dbraw/zinc/83/62/98/290836298.db2.gz SEGHKXZKMCNPOX-BETUJISGSA-N 1 0 270.417 3.163 40 0 CGABRO CC[C@H](C)Nc1nc(NCc2ccccc2)cc(C2CC2)[nH+]1 ZINC000328994547 202144796 /nfs/dbraw/zinc/14/47/96/202144796.db2.gz JFJHFGYAJSSTBA-ZDUSSCGKSA-N 1 0 296.418 3.020 40 0 CGABRO c1cc([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000121216435 370840445 /nfs/dbraw/zinc/84/04/45/370840445.db2.gz UNBJNQKWPVODGO-INIZCTEOSA-N 1 0 292.386 3.338 40 0 CGABRO CCNC(=[NH2+])Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000001596204 368422238 /nfs/dbraw/zinc/42/22/38/368422238.db2.gz FDADKAYXMBUSIV-UHFFFAOYSA-N 1 0 280.784 3.420 40 0 CGABRO CC[NH+](CC)CCOC(=O)c1c(C)cc(C)cc1C ZINC000001648422 368426263 /nfs/dbraw/zinc/42/62/63/368426263.db2.gz VZVHWWWJZRQAOW-UHFFFAOYSA-N 1 0 263.381 3.110 40 0 CGABRO O=C(c1ccccc1)c1ccc[n+](CCc2ccccc2)c1 ZINC000001667319 368429384 /nfs/dbraw/zinc/42/93/84/368429384.db2.gz PJNKQLSPRUWSKZ-UHFFFAOYSA-N 1 0 288.370 3.448 40 0 CGABRO Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000006054465 368566085 /nfs/dbraw/zinc/56/60/85/368566085.db2.gz BDARSKFJUUGBFY-JKIFEVAISA-N 1 0 291.435 3.021 40 0 CGABRO CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1 ZINC000012481460 368614535 /nfs/dbraw/zinc/61/45/35/368614535.db2.gz STPOZDWBYSLABS-AYHJJNSGSA-N 1 0 286.419 3.017 40 0 CGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1F ZINC000013669374 368660602 /nfs/dbraw/zinc/66/06/02/368660602.db2.gz GCWLIBPRTBKJET-AWEZNQCLSA-N 1 0 292.398 3.210 40 0 CGABRO CCc1ccc(C[N@H+](CCO)Cc2cccs2)cc1 ZINC000013997401 368673235 /nfs/dbraw/zinc/67/32/35/368673235.db2.gz BAZGXOHUWCLPQG-UHFFFAOYSA-N 1 0 275.417 3.305 40 0 CGABRO Cc1ncc(C[NH2+][C@H]2[C@@H](c3ccccc3)[C@H]3CCC[C@H]23)cn1 ZINC000019287273 368747982 /nfs/dbraw/zinc/74/79/82/368747982.db2.gz AGRNACYLOPFGLV-CADBVGFASA-N 1 0 293.414 3.457 40 0 CGABRO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](CC[C@@H](C)c1ccccc1)C2 ZINC000019576577 368756598 /nfs/dbraw/zinc/75/65/98/368756598.db2.gz GILNIYWRTKIJMT-CYBMUJFWSA-N 1 0 297.402 3.043 40 0 CGABRO c1ccc(OC2CCCC2)c(C[NH2+]C[C@H]2CCCO2)c1 ZINC000032121893 368926534 /nfs/dbraw/zinc/92/65/34/368926534.db2.gz MOYXOQRYIBBDPB-MRXNPFEDSA-N 1 0 275.392 3.277 40 0 CGABRO Cc1ccc(C(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000046882664 369298735 /nfs/dbraw/zinc/29/87/35/369298735.db2.gz RAZDSFRUKHELOH-HUUCEWRRSA-N 1 0 288.435 3.011 40 0 CGABRO CCNc1ncc(C[NH2+][C@@H](C)CCc2ccccc2)cn1 ZINC000062717574 369628708 /nfs/dbraw/zinc/62/87/08/369628708.db2.gz YFOUEIYHWVLMAJ-AWEZNQCLSA-N 1 0 284.407 3.019 40 0 CGABRO Cc1[nH]c2ccccc2c1C[NH2+]Cc1ccccn1 ZINC000064864592 369660834 /nfs/dbraw/zinc/66/08/34/369660834.db2.gz TUEMLRLRBDVGHX-UHFFFAOYSA-N 1 0 251.333 3.161 40 0 CGABRO c1cc(N2CCCCCC2)ncc1[C@H]1CCCC[NH2+]1 ZINC000072216655 369816233 /nfs/dbraw/zinc/81/62/33/369816233.db2.gz DBPMHBJURJLDGK-OAHLLOKOSA-N 1 0 259.397 3.277 40 0 CGABRO COc1cccc(OC)c1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072221423 369816866 /nfs/dbraw/zinc/81/68/66/369816866.db2.gz REGAZJSOJUWIKR-CYBMUJFWSA-N 1 0 263.381 3.497 40 0 CGABRO COc1ccc(-c2cc(C(F)(F)F)c(C[NH3+])cn2)cc1 ZINC000089261766 370038962 /nfs/dbraw/zinc/03/89/62/370038962.db2.gz JRERZDCJGXGGMM-UHFFFAOYSA-N 1 0 282.265 3.235 40 0 CGABRO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000000057374 541847855 /nfs/dbraw/zinc/84/78/55/541847855.db2.gz CEZPKIGJZWWHJT-IAQYHMDHSA-N 1 0 256.349 3.152 40 0 CGABRO Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)c(Cl)c1 ZINC000191170440 375589481 /nfs/dbraw/zinc/58/94/81/375589481.db2.gz RQQWTDQPNMKXKG-UHFFFAOYSA-N 1 0 294.826 3.254 40 0 CGABRO CCCCCC[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000256054277 190005515 /nfs/dbraw/zinc/00/55/15/190005515.db2.gz VRIMJNLNXYQRNH-UHFFFAOYSA-N 1 0 263.307 3.115 40 0 CGABRO Cc1nc(-c2ccc(CC3CC[NH2+]CC3)cn2)sc1C ZINC000257202957 190010768 /nfs/dbraw/zinc/01/07/68/190010768.db2.gz ANZNLRXFOZKMSS-UHFFFAOYSA-N 1 0 287.432 3.364 40 0 CGABRO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@H](c2cc[nH]n2)C1 ZINC000257212018 190013168 /nfs/dbraw/zinc/01/31/68/190013168.db2.gz CBOSETXNGDZEHB-LBPRGKRZSA-N 1 0 298.365 3.328 40 0 CGABRO Cc1nccc([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000257235323 190016986 /nfs/dbraw/zinc/01/69/86/190016986.db2.gz GXILLYYBMYGPHW-OAHLLOKOSA-N 1 0 285.366 3.304 40 0 CGABRO Cc1n[nH]c(C)c1-c1cnc([C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257254363 190020478 /nfs/dbraw/zinc/02/04/78/190020478.db2.gz KCSVUJHOHFEKPT-AWEZNQCLSA-N 1 0 299.422 3.071 40 0 CGABRO Cc1cn(C)c([C@H]2CC[N@H+](CCCc3ccccc3)C2)n1 ZINC000257245998 190019347 /nfs/dbraw/zinc/01/93/47/190019347.db2.gz ISAFHLLNQZGDKX-KRWDZBQOSA-N 1 0 283.419 3.151 40 0 CGABRO C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCC[NH2+]C1 ZINC000257266432 190023081 /nfs/dbraw/zinc/02/30/81/190023081.db2.gz MCZQBHKIAFPEBW-MRXNPFEDSA-N 1 0 274.339 3.046 40 0 CGABRO C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCC[NH2+]C1 ZINC000257266431 190023103 /nfs/dbraw/zinc/02/31/03/190023103.db2.gz MCZQBHKIAFPEBW-INIZCTEOSA-N 1 0 274.339 3.046 40 0 CGABRO CN1[C@@H]2CCCC[C@H]3[NH2+][C@H](Cc4ccccc4)[C@@H]1C[C@@]23C ZINC000257308071 190031388 /nfs/dbraw/zinc/03/13/88/190031388.db2.gz TVHKUGPOHVNBKQ-RHQZKXFESA-N 1 0 284.447 3.223 40 0 CGABRO Cc1cc(CC[C@@H]2CCC[N@@H+]2CC2CCOCC2)ccn1 ZINC000257311690 190032083 /nfs/dbraw/zinc/03/20/83/190032083.db2.gz UKQAARSVVGOQES-SFHVURJKSA-N 1 0 288.435 3.214 40 0 CGABRO CCCOc1cccc([C@@H](C)[NH2+]CCCOC)c1 ZINC000225166592 376296824 /nfs/dbraw/zinc/29/68/24/376296824.db2.gz XXLQTYMEPTXXPJ-CYBMUJFWSA-N 1 0 251.370 3.163 40 0 CGABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@@H]12 ZINC000248114296 377266699 /nfs/dbraw/zinc/26/66/99/377266699.db2.gz IHFWJQMJMIROBC-RTBURBONSA-N 1 0 296.414 3.127 40 0 CGABRO CC[NH+](CC)[C@@H]1CCN(c2ncc(C(F)(F)F)s2)C1 ZINC000276782699 378995625 /nfs/dbraw/zinc/99/56/25/378995625.db2.gz OKAQRJFMPNZRBQ-SECBINFHSA-N 1 0 293.358 3.082 40 0 CGABRO CC[N@@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1C ZINC000072218912 285289373 /nfs/dbraw/zinc/28/93/73/285289373.db2.gz LPYWEABHKCGWAF-HNNXBMFYSA-N 1 0 259.397 3.147 40 0 CGABRO CCOc1c(C)cc(-c2noc([C@H]3CCC[NH2+]3)n2)cc1C ZINC000095095416 184943088 /nfs/dbraw/zinc/94/30/88/184943088.db2.gz HHQKSSOYJCJEEV-CYBMUJFWSA-N 1 0 287.363 3.177 40 0 CGABRO CC(=O)N(CCC[NH+](C)C)C[C@H]1[C@H](C)C=C(C)C[C@@H]1C ZINC000002097421 391913031 /nfs/dbraw/zinc/91/30/31/391913031.db2.gz ZLYRCIIIWXAQLB-VYDXJSESSA-N 1 0 280.456 3.025 40 0 CGABRO CC1=C2C(C)=CC(=O)O[C@@H]2N(c2ccc(C)c(Cl)c2)[NH2+]1 ZINC000059416953 392117943 /nfs/dbraw/zinc/11/79/43/392117943.db2.gz ZRBAITHXDBBELJ-GJZGRUSLSA-N 1 0 290.750 3.290 40 0 CGABRO Cc1cc(=O)[nH]cc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218129 392200218 /nfs/dbraw/zinc/20/02/18/392200218.db2.gz XOYJSMCJFFKWGK-INIZCTEOSA-N 1 0 268.360 3.433 40 0 CGABRO CC[C@H]([NH3+])c1cnc(OCc2ccccc2)c(C)c1 ZINC000072222391 392201493 /nfs/dbraw/zinc/20/14/93/392201493.db2.gz QZEJENIBFVUXNQ-HNNXBMFYSA-N 1 0 256.349 3.379 40 0 CGABRO CC(C)c1nc2ccccc2n1C[C@@H]1CCCC[NH2+]1 ZINC000096510515 392257900 /nfs/dbraw/zinc/25/79/00/392257900.db2.gz BPJGVYVWSLWPLQ-ZDUSSCGKSA-N 1 0 257.381 3.302 40 0 CGABRO C/C(=C\c1ccccc1)CN1CC[C@H]2[NH2+]CCCC[C@H]21 ZINC000257322356 393135962 /nfs/dbraw/zinc/13/59/62/393135962.db2.gz WFRDYUQAELFEHN-ZWOQHNGQSA-N 1 0 270.420 3.306 40 0 CGABRO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000072208965 397640038 /nfs/dbraw/zinc/64/00/38/397640038.db2.gz JIMJVFSLVVNKKW-KBPBESRZSA-N 1 0 278.396 3.236 40 0 CGABRO [NH3+]Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000020224347 171086651 /nfs/dbraw/zinc/08/66/51/171086651.db2.gz IDVXZHJWEYAWIP-UHFFFAOYSA-N 1 0 260.724 3.051 40 0 CGABRO [NH3+]CC1(Cc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000061673911 175652768 /nfs/dbraw/zinc/65/27/68/175652768.db2.gz PTKFUBNXWACNDM-UHFFFAOYSA-N 1 0 273.298 3.003 40 0 CGABRO CN(Cc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000072203653 176341433 /nfs/dbraw/zinc/34/14/33/176341433.db2.gz MBKTWOKPWVFUBA-LBPRGKRZSA-N 1 0 273.207 3.177 40 0 CGABRO Fc1ccccc1OC1CC[NH+](Cc2ccncc2)CC1 ZINC000072350999 176373414 /nfs/dbraw/zinc/37/34/14/176373414.db2.gz RYOVWHJRSUWLBF-UHFFFAOYSA-N 1 0 286.350 3.264 40 0 CGABRO Fc1cccc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000072356397 176375645 /nfs/dbraw/zinc/37/56/45/176375645.db2.gz AIGJHGQZYKNBAY-CYBMUJFWSA-N 1 0 256.324 3.355 40 0 CGABRO CC(C)[NH+]1CCC(c2nccnc2Oc2cccnc2)CC1 ZINC000072361655 176377692 /nfs/dbraw/zinc/37/76/92/176377692.db2.gz CPBRYVMDXQFKFL-UHFFFAOYSA-N 1 0 298.390 3.252 40 0 CGABRO Cc1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)ccn1 ZINC000072366677 176381841 /nfs/dbraw/zinc/38/18/41/176381841.db2.gz DBCLRWNDPIYCNJ-QGZVFWFLSA-N 1 0 267.376 3.165 40 0 CGABRO Cc1ccccc1-c1cc([C@@H]2CCC[NH2+]C2)nc(C)n1 ZINC000072386632 176392283 /nfs/dbraw/zinc/39/22/83/176392283.db2.gz FBEZOBQMERNAPZ-CQSZACIVSA-N 1 0 267.376 3.227 40 0 CGABRO CCn1c2ccccc2nc1C[N@@H+]1CCCC[C@@H]1C ZINC000076555441 177037902 /nfs/dbraw/zinc/03/79/02/177037902.db2.gz PCZUWHQOFIAKPF-ZDUSSCGKSA-N 1 0 257.381 3.431 40 0 CGABRO CC(C)N(CC[NH3+])Cc1cccc(Cl)c1Cl ZINC000079420709 177488119 /nfs/dbraw/zinc/48/81/19/177488119.db2.gz BEBBSNOKEJXDPT-UHFFFAOYSA-N 1 0 261.196 3.163 40 0 CGABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000022168421 287359390 /nfs/dbraw/zinc/35/93/90/287359390.db2.gz AZSNIQWQHVUQLA-RISCZKNCSA-N 1 0 252.789 3.072 40 0 CGABRO CCN(C(=O)OCc1ccccc1)[C@H]1CC[C@H]([NH2+]C)CC1 ZINC000242548051 261255316 /nfs/dbraw/zinc/25/53/16/261255316.db2.gz LAVJNGNMUKEOAE-WKILWMFISA-N 1 0 290.407 3.176 40 0 CGABRO C[C@@H]1CCC[C@@H](C)[NH+]1CCOc1cccc(C=O)c1 ZINC000217788560 262344476 /nfs/dbraw/zinc/34/44/76/262344476.db2.gz ONBWXIDWHYEVNX-ZIAGYGMSSA-N 1 0 261.365 3.141 40 0 CGABRO C[NH2+]Cc1ccccc1[C@H](O)c1ccc(Cl)cc1 ZINC000000014718 273969022 /nfs/dbraw/zinc/96/90/22/273969022.db2.gz GMQRLEHODLAXAW-OAHLLOKOSA-N 1 0 261.752 3.141 40 0 in-man CGABRO C[NH+](C)C[C@H]1CCc2ccc3ccccc3c2C1=O ZINC000005700717 273801148 /nfs/dbraw/zinc/80/11/48/273801148.db2.gz OTFJDUYHMWYNCA-CQSZACIVSA-N 1 0 253.345 3.147 40 0 CGABRO COc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000002033971 274140702 /nfs/dbraw/zinc/14/07/02/274140702.db2.gz DZUOQMBJJSBONO-CQSZACIVSA-N 1 0 281.355 3.153 40 0 in-vitro CGABRO CC1CC[NH+](C[C@@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000004018951 276198248 /nfs/dbraw/zinc/19/82/48/276198248.db2.gz FJHWBIQXBLWHIE-GVDBMIGSSA-N 1 0 297.483 3.311 40 0 CGABRO CCc1ccc2c(c1)C(=O)CC1(CC[NH+](CC)CC1)O2 ZINC000225817502 276692039 /nfs/dbraw/zinc/69/20/39/276692039.db2.gz BTIIZTVMLGBROH-UHFFFAOYSA-N 1 0 273.376 3.069 40 0 CGABRO CO[C@H]1CCCC[C@H]1OC(=O)C[N@H+](C)C1CCCCCC1 ZINC000005748902 277336648 /nfs/dbraw/zinc/33/66/48/277336648.db2.gz OZYVLMYWJFRCQM-JKSUJKDBSA-N 1 0 297.439 3.142 40 0 CGABRO CSc1ncc(C[NH2+]C2C3CC4CC(C3)CC2C4)cn1 ZINC000062717198 278180701 /nfs/dbraw/zinc/18/07/01/278180701.db2.gz JSOBECFRTFEQRM-UHFFFAOYSA-N 1 0 289.448 3.113 40 0 CGABRO C[C@H](c1ccccc1O)[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000004973173 290266899 /nfs/dbraw/zinc/26/68/99/290266899.db2.gz FJVDFCKYRXBJGP-UXLLHSPISA-N 1 0 289.419 3.387 40 0 CGABRO [NH3+]C[C@H](c1ccc(Cl)cc1Cl)N1CCCC1 ZINC000019861934 295264593 /nfs/dbraw/zinc/26/45/93/295264593.db2.gz KNRSNTYTNXSTCC-GFCCVEGCSA-N 1 0 259.180 3.089 40 0 CGABRO Cc1cc(C)cc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000012169917 301228718 /nfs/dbraw/zinc/22/87/18/301228718.db2.gz JGRVELMYSIWKMD-BRWVUGGUSA-N 1 0 291.435 3.021 40 0 CGABRO O=C(c1ccc(OCc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000082726727 178242967 /nfs/dbraw/zinc/24/29/67/178242967.db2.gz JVPMDDZSVXOPLF-UHFFFAOYSA-N 1 0 295.382 3.448 40 0 CGABRO Cc1ccc(C[N@H+]2CC[C@H]3C[C@H](C)O[C@@H]3C2)s1 ZINC000096062531 185082588 /nfs/dbraw/zinc/08/25/88/185082588.db2.gz KRBKQKZSBNPXDQ-VHRBIJSZSA-N 1 0 251.395 3.056 40 0 CGABRO CC1(C)CCCC(C)(C)[NH+]1C[C@@H](O)COc1ccccc1 ZINC000000351986 368345990 /nfs/dbraw/zinc/34/59/90/368345990.db2.gz QWMYUXJKQXYVCW-OAHLLOKOSA-N 1 0 291.435 3.469 40 0 CGABRO CC[NH+](CC)CCCNc1nccc2ccc(OC)cc21 ZINC000001592007 368422212 /nfs/dbraw/zinc/42/22/12/368422212.db2.gz GGTFEWWDJHOSFY-UHFFFAOYSA-N 1 0 287.407 3.387 40 0 CGABRO CC[C@](O)(c1ccccc1)[C@@H](C)C[NH+]1CCCCC1 ZINC000001641269 368426542 /nfs/dbraw/zinc/42/65/42/368426542.db2.gz DQARXIRSJUEDFK-DOTOQJQBSA-N 1 0 261.409 3.406 40 0 CGABRO COc1ccc(C(=O)[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000001665772 368427803 /nfs/dbraw/zinc/42/78/03/368427803.db2.gz XVFCULDDSWYQLS-KRWDZBQOSA-N 1 0 283.371 3.223 40 0 CGABRO CC[NH+](CC)CCOc1ccc(C[C@H](C)C(C)=O)cc1 ZINC000001679185 368430114 /nfs/dbraw/zinc/43/01/14/368430114.db2.gz JBZWUASHZOMEFL-AWEZNQCLSA-N 1 0 277.408 3.175 40 0 CGABRO C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1OC(=O)c1ccccc1 ZINC000001869860 368440282 /nfs/dbraw/zinc/44/02/82/368440282.db2.gz LBQGJHNNGUZLOH-ROUUACIJSA-N 1 0 295.382 3.461 40 0 CGABRO C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@@H+]2CC1CC1 ZINC000003830613 368519913 /nfs/dbraw/zinc/51/99/13/368519913.db2.gz YQYVFVRQLZMJKJ-JBBXEZCESA-N 1 0 271.404 3.326 40 0 in-man CGABRO C[NH+](C)C[C@H](O)c1ccc2c(c1)oc1ccccc12 ZINC000004934447 368559310 /nfs/dbraw/zinc/55/93/10/368559310.db2.gz PFCIEYMQAXGJCE-AWEZNQCLSA-N 1 0 255.317 3.181 40 0 CGABRO c1cc2cc(C[NH2+]C3Cc4ccccc4C3)ccc2[nH]1 ZINC000015424217 368695277 /nfs/dbraw/zinc/69/52/77/368695277.db2.gz CKYKXDPNBHFICE-UHFFFAOYSA-N 1 0 262.356 3.425 40 0 CGABRO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)s1 ZINC000019217167 368745635 /nfs/dbraw/zinc/74/56/35/368745635.db2.gz FMTAPJCKNWGLGS-BLLLJJGKSA-N 1 0 285.416 3.417 40 0 CGABRO C[C@H]([C@H](O)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000024718101 368834243 /nfs/dbraw/zinc/83/42/43/368834243.db2.gz KLNGFIBGXXNTLD-PBHICJAKSA-N 1 0 255.361 3.241 40 0 CGABRO CC[NH2+]Cc1ccc(O[C@H](C)CC)c(OCC)c1 ZINC000034815761 368978500 /nfs/dbraw/zinc/97/85/00/368978500.db2.gz YMVWVZFYYYNIKV-GFCCVEGCSA-N 1 0 251.370 3.372 40 0 CGABRO CC(=O)Oc1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000031923447 368920614 /nfs/dbraw/zinc/92/06/14/368920614.db2.gz OCTPCWSLWLDMBO-UHFFFAOYSA-N 1 0 281.355 3.170 40 0 CGABRO [NH3+][C@@H](c1ccncc1)c1ccc(C(F)(F)F)cc1 ZINC000055205718 369513877 /nfs/dbraw/zinc/51/38/77/369513877.db2.gz YNJOPXFMEFAMDQ-GFCCVEGCSA-N 1 0 252.239 3.149 40 0 CGABRO C[NH2+]CCCOc1nn(Cc2ccccc2)c2ccccc21 ZINC000065739690 369685425 /nfs/dbraw/zinc/68/54/25/369685425.db2.gz GHSWAWCBZHYVJJ-UHFFFAOYSA-N 1 0 295.386 3.073 40 0 in-vitro CGABRO CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1[NH2+]C1CCCCC1 ZINC000067889931 369735689 /nfs/dbraw/zinc/73/56/89/369735689.db2.gz BIBCECOROUCIFT-WBMJQRKESA-N 1 0 292.423 3.046 40 0 biogenic,in-vitro CGABRO Cc1cc(=S)[nH]cc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072218323 369816280 /nfs/dbraw/zinc/81/62/80/369816280.db2.gz DHLWOVZWOWNGMB-ZDUSSCGKSA-N 1 0 250.411 3.472 40 0 CGABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1Cl ZINC000072324445 369816932 /nfs/dbraw/zinc/81/69/32/369816932.db2.gz NRHQMUAHRORING-GXTWGEPZSA-N 1 0 264.800 3.009 40 0 CGABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1cccc(Cl)c1 ZINC000073642220 369862812 /nfs/dbraw/zinc/86/28/12/369862812.db2.gz XMTSNDKZOKBITN-UHFFFAOYSA-N 1 0 299.761 3.002 40 0 CGABRO CC(C)N(C[C@@H]1CCCC[NH2+]1)C(=O)OCc1ccccc1 ZINC000079437843 369968921 /nfs/dbraw/zinc/96/89/21/369968921.db2.gz MSWLRBJSAJNJMQ-INIZCTEOSA-N 1 0 290.407 3.176 40 0 CGABRO CCS[C@H]1CC[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000097228470 370235625 /nfs/dbraw/zinc/23/56/25/370235625.db2.gz IXQHBWYEJKCFHZ-SGMGOOAPSA-N 1 0 279.453 3.061 40 0 CGABRO CCN(C)c1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072212796 284371790 /nfs/dbraw/zinc/37/17/90/284371790.db2.gz GTNUDNWEMKHOOK-HNNXBMFYSA-N 1 0 261.413 3.473 40 0 CGABRO CCCn1cc(C[NH2+]Cc2ccc(F)cc2)c(C)n1 ZINC000256052903 190004472 /nfs/dbraw/zinc/00/44/72/190004472.db2.gz PDBFBANGZLIBIO-UHFFFAOYSA-N 1 0 261.344 3.030 40 0 CGABRO CC(C)Cn1cc(C[NH2+]Cc2ccc(F)s2)cn1 ZINC000256052631 190004491 /nfs/dbraw/zinc/00/44/91/190004491.db2.gz OCMGHNRNVMUFRW-UHFFFAOYSA-N 1 0 267.373 3.030 40 0 CGABRO Clc1cccc(-c2cncc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000257197889 190010192 /nfs/dbraw/zinc/01/01/92/190010192.db2.gz MJDOLRSEENCGLF-LBPRGKRZSA-N 1 0 273.767 3.264 40 0 CGABRO CC(C)n1nccc1-c1cccc([C@H]2CCC[N@@H+]2C)n1 ZINC000257295945 190028588 /nfs/dbraw/zinc/02/85/88/190028588.db2.gz RANYDLIQHBOCMF-OAHLLOKOSA-N 1 0 270.380 3.293 40 0 CGABRO c1cn2c(cccc2C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000257295261 190028811 /nfs/dbraw/zinc/02/88/11/190028811.db2.gz QXQBQBKTIVZCJP-UHFFFAOYSA-N 1 0 292.386 3.109 40 0 CGABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000257304594 190030514 /nfs/dbraw/zinc/03/05/14/190030514.db2.gz SMIRFTJJGVNBOS-MRXNPFEDSA-N 1 0 292.386 3.256 40 0 CGABRO COCC[NH2+]Cc1cccn1-c1cccc(Cl)c1C ZINC000223685719 376258826 /nfs/dbraw/zinc/25/88/26/376258826.db2.gz RQMNZPWAMNZUQH-UHFFFAOYSA-N 1 0 278.783 3.175 40 0 CGABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccccc2Br)C1 ZINC000019471583 296400093 /nfs/dbraw/zinc/40/00/93/296400093.db2.gz IBLBHSHLRDRWHD-RISCZKNCSA-N 1 0 297.240 3.181 40 0 CGABRO C[NH2+][C@H](c1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072207637 392196343 /nfs/dbraw/zinc/19/63/43/392196343.db2.gz LVCAAGRDHHKLEF-HUUCEWRRSA-N 1 0 292.423 3.496 40 0 CGABRO Cc1nc(Br)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224006 392203120 /nfs/dbraw/zinc/20/31/20/392203120.db2.gz SXUNVIBHCDXZLM-CYBMUJFWSA-N 1 0 277.165 3.201 40 0 CGABRO CCc1cccc2cc3c(nc21)O[C@@H](CC)C[NH2+]C3 ZINC000072392283 392205819 /nfs/dbraw/zinc/20/58/19/392205819.db2.gz RYKQXTGUCAASHC-AWEZNQCLSA-N 1 0 256.349 3.058 40 0 CGABRO CC(C)[NH2+]C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079437236 392220757 /nfs/dbraw/zinc/22/07/57/392220757.db2.gz LNSWVMDOBWOLDD-INIZCTEOSA-N 1 0 290.407 3.033 40 0 CGABRO CN1C=CC=C/C1=C/C=C1\C=NN=C1c1cccs1 ZINC000334139391 392706580 /nfs/dbraw/zinc/70/65/80/392706580.db2.gz QUNMCLWTMVSHGC-GUFPOKFQSA-N 1 0 267.357 3.362 40 0 CGABRO CCC(=O)Nc1cc(N2C[C@H](C)C[C@H](C)C2)c(C)cc1N ZINC000216865465 392992737 /nfs/dbraw/zinc/99/27/37/392992737.db2.gz AYPIJOQNRJSDTE-TXEJJXNPSA-N 1 0 289.423 3.408 40 0 CGABRO Cc1cc2c(cc1CC1=[NH+]CCN1)C1CCC2CC1 ZINC000000001725 292010424 /nfs/dbraw/zinc/01/04/24/292010424.db2.gz NNPAYYPIPSQZRT-UHFFFAOYSA-N 1 0 254.377 3.294 40 0 in-man CGABRO c1cnc2c(c1)cccc2CC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000257236546 285550355 /nfs/dbraw/zinc/55/03/55/285550355.db2.gz HCQBZLFTRWQDAV-SFHVURJKSA-N 1 0 296.414 3.278 40 0 CGABRO CCCCOC(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000002044174 169771949 /nfs/dbraw/zinc/77/19/49/169771949.db2.gz NKNQQSVZKIIQBV-CYBMUJFWSA-N 1 0 258.406 3.023 40 0 CGABRO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000002736477 169823509 /nfs/dbraw/zinc/82/35/09/169823509.db2.gz ZCGDZNKSCOCGDN-JSGCOSHPSA-N 1 0 293.407 3.381 40 0 CGABRO Cc1ccccc1C[NH+]1CCC(C(=O)NC(C)(C)C)CC1 ZINC000009062866 170362784 /nfs/dbraw/zinc/36/27/84/170362784.db2.gz BEVGBUAAFFDDMX-UHFFFAOYSA-N 1 0 288.435 3.122 40 0 CGABRO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCc1ccc(O)cc1 ZINC000040735439 174389316 /nfs/dbraw/zinc/38/93/16/174389316.db2.gz SIPCJKBZUBDKLP-AWEZNQCLSA-N 1 0 285.387 3.251 40 0 in-vitro CGABRO CC[NH+]1CCC(Nc2cc(OC)ccc2Cl)CC1 ZINC000043316375 175005259 /nfs/dbraw/zinc/00/52/59/175005259.db2.gz HNWGKEHQOLPDIT-UHFFFAOYSA-N 1 0 268.788 3.245 40 0 CGABRO C[NH+](C)CCCNCc1cccc(Cl)c1Cl ZINC000058099904 175607524 /nfs/dbraw/zinc/60/75/24/175607524.db2.gz JFODRFPGPGYQIT-UHFFFAOYSA-N 1 0 261.196 3.035 40 0 CGABRO Cc1ccc(NC(=O)c2cccc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000072365585 176380622 /nfs/dbraw/zinc/38/06/22/176380622.db2.gz RFIMISJHZXNXCR-AWEZNQCLSA-N 1 0 295.386 3.109 40 0 CGABRO c1cc([C@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)n[nH]1 ZINC000072386296 176391543 /nfs/dbraw/zinc/39/15/43/176391543.db2.gz FFHPODIKTINKRU-HNNXBMFYSA-N 1 0 280.375 3.271 40 0 CGABRO C[C@H]1[C@@H]2CC[N@H+](CC3CC3)[C@H]1Cc1ccc(O)cc12 ZINC000095887560 260558064 /nfs/dbraw/zinc/55/80/64/260558064.db2.gz XWFDYGTVEQDYDK-KCTSRDHCSA-N 1 0 257.377 3.152 40 0 CGABRO [NH3+][C@@H]1CCCC[C@H]1Nc1ccccc1Br ZINC000218859522 274956001 /nfs/dbraw/zinc/95/60/01/274956001.db2.gz XDJVHLGILBAFGM-ZYHUDNBSSA-N 1 0 269.186 3.131 40 0 CGABRO CC[N+]1=C(c2ccccc2)c2cc(OC)c(OC)cc2CC1 ZINC000000338408 276655678 /nfs/dbraw/zinc/65/56/78/276655678.db2.gz NMAKGCKDUKMBRV-UHFFFAOYSA-N 1 0 296.390 3.130 40 0 biogenic,in-vitro CGABRO CC[C@H](c1ccccc1)N(C(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000079418757 288155997 /nfs/dbraw/zinc/15/59/97/288155997.db2.gz HKHJPCZIQUCDGS-CVEARBPZSA-N 1 0 274.408 3.112 40 0 CGABRO OC1/C(=C\c2ccccc2)C[NH2+]C/C1=C/c1ccccc1 ZINC000001624824 304821222 /nfs/dbraw/zinc/82/12/22/304821222.db2.gz ZYPHMHISTJAFFJ-WHYMJUELSA-N 1 0 277.367 3.118 40 0 CGABRO CCCNc1ncc(C[NH2+][C@H](C)CCc2ccccc2)cn1 ZINC000062717724 333175999 /nfs/dbraw/zinc/17/59/99/333175999.db2.gz XEAQWRSSQIIRJN-OAHLLOKOSA-N 1 0 298.434 3.409 40 0 CGABRO Cc1ccc([C@H](C)CCN2C[C@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000247944774 334291970 /nfs/dbraw/zinc/29/19/70/334291970.db2.gz WBHMAMYMGDAOEJ-IIAWOOMASA-N 1 0 276.424 3.250 40 0 CGABRO [NH3+]CCNc1ccnc2c(Oc3ccccc3)cccc12 ZINC000222683946 534636841 /nfs/dbraw/zinc/63/68/41/534636841.db2.gz HMVPADZGRZNYCV-UHFFFAOYSA-N 1 0 279.343 3.398 40 0 CGABRO [NH3+]C[C@H](c1ccccc1OC(F)(F)F)N1CCCCC1 ZINC000095532271 185005192 /nfs/dbraw/zinc/00/51/92/185005192.db2.gz VUWKPUFZNIPSJY-GFCCVEGCSA-N 1 0 288.313 3.071 40 0 CGABRO C[C@H]1CO[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000096073308 185088607 /nfs/dbraw/zinc/08/86/07/185088607.db2.gz KTYKHZUYFLNWKG-WBVHZDCISA-N 1 0 259.393 3.120 40 0 CGABRO c1ccc(CC[NH2+]CCCc2nc3ccccc3[nH]2)cc1 ZINC000062718672 345239912 /nfs/dbraw/zinc/23/99/12/345239912.db2.gz HWJAIUTUKQABMS-UHFFFAOYSA-N 1 0 279.387 3.328 40 0 CGABRO C1CCC(O[C@H]2CCCC[C@H]2[N@@H+]2CCN[C@@H]3CCC[C@@H]32)C1 ZINC000225718151 346305173 /nfs/dbraw/zinc/30/51/73/346305173.db2.gz RUBZSLWQDHSQAX-XDNAFOTISA-N 1 0 292.467 3.083 40 0 CGABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)CC ZINC000072212794 283321406 /nfs/dbraw/zinc/32/14/06/283321406.db2.gz VQSIJSOKQLBJHM-OAHLLOKOSA-N 1 0 261.413 3.475 40 0 CGABRO COc1ccc(Cl)cc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000218863664 376191544 /nfs/dbraw/zinc/19/15/44/376191544.db2.gz WVRSTKHYYCENAQ-QWRGUYRKSA-N 1 0 254.761 3.030 40 0 CGABRO COc1ccc(C(=O)c2c(C)[n+](C)cc3ccccc32)cc1 ZINC000001578092 368421076 /nfs/dbraw/zinc/42/10/76/368421076.db2.gz LNQMXHUZJLTXLH-UHFFFAOYSA-N 1 0 292.358 3.212 40 0 CGABRO O[C@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccccc1 ZINC000001615828 368423397 /nfs/dbraw/zinc/42/33/97/368423397.db2.gz OCUJINLGKRDHSJ-YQQAZPJKSA-N 1 0 259.393 3.232 40 0 CGABRO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000004195215 368534773 /nfs/dbraw/zinc/53/47/73/368534773.db2.gz RRXRGGDXVXFXRD-ULQDDVLXSA-N 1 0 291.435 3.306 40 0 CGABRO CN(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000019365682 368749870 /nfs/dbraw/zinc/74/98/70/368749870.db2.gz VRPZLDIUBCEYBA-UHFFFAOYSA-N 1 0 268.404 3.250 40 0 CGABRO C[C@H]([C@@H](O)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000024718095 368834178 /nfs/dbraw/zinc/83/41/78/368834178.db2.gz KLNGFIBGXXNTLD-RHSMWYFYSA-N 1 0 255.361 3.241 40 0 CGABRO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000019963780 368792198 /nfs/dbraw/zinc/79/21/98/368792198.db2.gz WWLXASZDMMYFBT-CZUORRHYSA-N 1 0 263.381 3.303 40 0 CGABRO Oc1ccc(C[NH2+]Cc2ccccc2)c2cccnc12 ZINC000031689272 368916548 /nfs/dbraw/zinc/91/65/48/368916548.db2.gz CKFSZNNHRZDPJV-UHFFFAOYSA-N 1 0 264.328 3.230 40 0 in-vitro CGABRO C[C@H](C[NH2+]CCCc1ccccc1)C(=O)OC(C)(C)C ZINC000047219113 369310455 /nfs/dbraw/zinc/31/04/55/369310455.db2.gz WLEMRXGGHCFSAN-CQSZACIVSA-N 1 0 277.408 3.187 40 0 CGABRO Cc1cc(C)c(CSc2cc(N)[nH+]c(N)c2N)c(C)c1 ZINC000053277134 369482462 /nfs/dbraw/zinc/48/24/62/369482462.db2.gz CXTPFSGDANERJQ-UHFFFAOYSA-N 1 0 288.420 3.046 40 0 CGABRO Cc1nccn1-c1cncc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000072378706 369816962 /nfs/dbraw/zinc/81/69/62/369816962.db2.gz KAXRFDOJEKOYQR-MRXNPFEDSA-N 1 0 297.406 3.050 40 0 CGABRO CC(C)Oc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000074921021 369891863 /nfs/dbraw/zinc/89/18/63/369891863.db2.gz GDZMQAWQWHZOPN-UHFFFAOYSA-N 1 0 290.407 3.144 40 0 CGABRO CC(C)N(C[C@H]1CCCC[NH2+]1)C(=O)OCc1ccccc1 ZINC000079437846 369969192 /nfs/dbraw/zinc/96/91/92/369969192.db2.gz MSWLRBJSAJNJMQ-MRXNPFEDSA-N 1 0 290.407 3.176 40 0 CGABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000082337376 370002444 /nfs/dbraw/zinc/00/24/44/370002444.db2.gz RRCYGZRZBYQPDA-VIFPVBQESA-N 1 0 287.190 3.274 40 0 CGABRO Cc1ccc(Br)c(C[NH+]2CCCC2)c1 ZINC000090413618 370060337 /nfs/dbraw/zinc/06/03/37/370060337.db2.gz BCGHOEHTOMLIAP-UHFFFAOYSA-N 1 0 254.171 3.353 40 0 CGABRO CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215827 370209501 /nfs/dbraw/zinc/20/95/01/370209501.db2.gz YEAAFHQYCUNACY-ZBFHGGJFSA-N 1 0 293.480 3.230 40 0 CGABRO COc1ccc2c3c1OC1=C[C@@H](C)C=C4[C@@H](C2)[N@H+](C)CC[C@@]134 ZINC000096316437 370210871 /nfs/dbraw/zinc/21/08/71/370210871.db2.gz LUBWAENLSVGGLJ-GEDNVKPRSA-N 1 0 295.382 3.046 40 0 biogenic,in-vitro CGABRO Fc1ccc(C[NH2+]Cc2cnn(C3CCCC3)c2)cc1 ZINC000256052928 190004515 /nfs/dbraw/zinc/00/45/15/190004515.db2.gz PFKUDVVJFCDGTA-UHFFFAOYSA-N 1 0 273.355 3.427 40 0 CGABRO c1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H]1c1cnccn1)CO2 ZINC000257209024 190012364 /nfs/dbraw/zinc/01/23/64/190012364.db2.gz BOQRGSWHQKWTKQ-KRWDZBQOSA-N 1 0 293.370 3.090 40 0 CGABRO c1cnc2c(c1)cccc2CC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000257236545 190018109 /nfs/dbraw/zinc/01/81/09/190018109.db2.gz HCQBZLFTRWQDAV-GOSISDBHSA-N 1 0 296.414 3.278 40 0 CGABRO Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2ccncc2)ccn1 ZINC000257265140 190022943 /nfs/dbraw/zinc/02/29/43/190022943.db2.gz LXLSJXBAZDDBFJ-GOSISDBHSA-N 1 0 281.403 3.382 40 0 CGABRO Cc1cc(-c2cc(C)nc([C@@H]3CCC[N@@H+](C(C)C)C3)n2)n[nH]1 ZINC000257268698 190024220 /nfs/dbraw/zinc/02/42/20/190024220.db2.gz MMUZNEISMROCLO-CQSZACIVSA-N 1 0 299.422 3.071 40 0 CGABRO CNc1cc([C@@H]2CCC[N@@H+]2Cc2ccsc2)nc(C)n1 ZINC000257283990 190026007 /nfs/dbraw/zinc/02/60/07/190026007.db2.gz PAUIMPRHISEPFH-AWEZNQCLSA-N 1 0 288.420 3.225 40 0 CGABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000257318146 190032624 /nfs/dbraw/zinc/03/26/24/190032624.db2.gz VMRMFPPMOFTHDU-CQSZACIVSA-N 1 0 287.794 3.428 40 0 CGABRO c1cc(C[N@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)n[nH]1 ZINC000257326526 190034897 /nfs/dbraw/zinc/03/48/97/190034897.db2.gz WXNMNNFYFQLDAU-CQSZACIVSA-N 1 0 292.386 3.023 40 0 CGABRO COCCC[NH2+]Cc1cccn1-c1cc(C)cc(C)c1 ZINC000223683055 376258517 /nfs/dbraw/zinc/25/85/17/376258517.db2.gz PTJWDMORSPTJFV-UHFFFAOYSA-N 1 0 272.392 3.220 40 0 CGABRO CCOc1ccc2c(c1)c(C[NH3+])c(C)n2CC(C)C ZINC000223756105 376263046 /nfs/dbraw/zinc/26/30/46/376263046.db2.gz PBJRQTDZACRRHM-UHFFFAOYSA-N 1 0 260.381 3.463 40 0 CGABRO CC[C@H](C)Oc1ccccc1[C@H](C)[NH2+]CCOC ZINC000225161115 376297056 /nfs/dbraw/zinc/29/70/56/376297056.db2.gz CTFSDGXSKPYMPS-STQMWFEESA-N 1 0 251.370 3.161 40 0 CGABRO CC[n+]1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000226774659 376373385 /nfs/dbraw/zinc/37/33/85/376373385.db2.gz ZFHNJAIEWREKOL-UHFFFAOYSA-N 1 0 259.716 3.456 40 0 CGABRO CC[NH+](CC)C[C@@H](c1ccccc1)C1(O)CCCC1 ZINC000002043279 284679232 /nfs/dbraw/zinc/67/92/32/284679232.db2.gz UFKHLLCLDJJKGU-INIZCTEOSA-N 1 0 261.409 3.417 40 0 CGABRO Nc1ccccc1OC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000575423919 377907551 /nfs/dbraw/zinc/90/75/51/377907551.db2.gz TWPXBBQZWWSGGZ-INIZCTEOSA-N 1 0 282.387 3.312 40 0 CGABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000022166020 296400234 /nfs/dbraw/zinc/40/02/34/296400234.db2.gz HTUFBLYJYHUCRK-RISCZKNCSA-N 1 0 297.240 3.181 40 0 CGABRO C[NH+](C)C[C@](C)(Oc1ccccc1)[C@H](O)c1ccccc1 ZINC000001843235 391913556 /nfs/dbraw/zinc/91/35/56/391913556.db2.gz VLTKRRBYKMGKNV-MSOLQXFVSA-N 1 0 285.387 3.119 40 0 CGABRO c1ccc(CN(Cc2ccccc2)[C@@H]2CC[NH2+]C2)cc1 ZINC000051783471 392073083 /nfs/dbraw/zinc/07/30/83/392073083.db2.gz RSBBPYMMUAWQSI-GOSISDBHSA-N 1 0 266.388 3.051 40 0 CGABRO CSc1ncc(C[NH2+][C@H](C)CCc2ccccc2)cn1 ZINC000062717258 392133198 /nfs/dbraw/zinc/13/31/98/392133198.db2.gz ONONDBGTCKQEAD-CYBMUJFWSA-N 1 0 287.432 3.309 40 0 CGABRO OC[C@@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCCC1 ZINC000070453342 392183527 /nfs/dbraw/zinc/18/35/27/392183527.db2.gz OHAYPGBGCOEMSY-IBGZPJMESA-N 1 0 297.398 3.395 40 0 CGABRO c1ccc(COc2ncccc2[C@@H]2CCCC[NH2+]2)cc1 ZINC000072212091 392197763 /nfs/dbraw/zinc/19/77/63/392197763.db2.gz MJAWBLCXSLNBRA-INIZCTEOSA-N 1 0 268.360 3.475 40 0 CGABRO CNc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072212525 392197840 /nfs/dbraw/zinc/19/78/40/392197840.db2.gz CEVNGCRQIWKGSU-INIZCTEOSA-N 1 0 267.376 3.460 40 0 CGABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(C)C)nc1 ZINC000072212621 392199233 /nfs/dbraw/zinc/19/92/33/392199233.db2.gz FVBZHBWSCXYWJW-HNNXBMFYSA-N 1 0 261.413 3.475 40 0 CGABRO Cc1nc(N2CCCC2)ccc1[C@@H]1CCCC[N@H+]1C ZINC000072218934 392200468 /nfs/dbraw/zinc/20/04/68/392200468.db2.gz MKAFEOKQMIHKFL-HNNXBMFYSA-N 1 0 259.397 3.147 40 0 CGABRO Cc1[nH]c(=S)ccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072218383 392200527 /nfs/dbraw/zinc/20/05/27/392200527.db2.gz OADIQWKYMYIDCZ-ZDUSSCGKSA-N 1 0 250.411 3.472 40 0 CGABRO Clc1ccc(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)cc1 ZINC000072381579 392206000 /nfs/dbraw/zinc/20/60/00/392206000.db2.gz MJHFNQHUYKJNAD-LBPRGKRZSA-N 1 0 261.756 3.053 40 0 CGABRO CC(C)[NH2+]C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079437237 392220236 /nfs/dbraw/zinc/22/02/36/392220236.db2.gz LNSWVMDOBWOLDD-MRXNPFEDSA-N 1 0 290.407 3.033 40 0 CGABRO CC[C@@H](c1ccccc1)N(C(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000079418752 392220543 /nfs/dbraw/zinc/22/05/43/392220543.db2.gz HKHJPCZIQUCDGS-HOTGVXAUSA-N 1 0 274.408 3.112 40 0 CGABRO Cc1cccc(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000004904190 170039059 /nfs/dbraw/zinc/03/90/59/170039059.db2.gz LPYRKRSKXBCHDR-UHFFFAOYSA-N 1 0 272.436 3.445 40 0 CGABRO CC[N@H+](C[C@@H](O)COc1ccccc1)C1CCCCC1 ZINC000006438587 170201261 /nfs/dbraw/zinc/20/12/61/170201261.db2.gz HHYZHASZNQSYDT-MRXNPFEDSA-N 1 0 277.408 3.081 40 0 CGABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH2+]C1CCCC1)C2 ZINC000009970719 170392329 /nfs/dbraw/zinc/39/23/29/170392329.db2.gz BWWGWNBYWLQPPZ-AAJLLMFJSA-N 1 0 295.467 3.111 40 0 CGABRO O=C(CCc1ccccc1)NCCC[NH+]1CCCCCC1 ZINC000010111118 170397751 /nfs/dbraw/zinc/39/77/51/170397751.db2.gz DUVZHGAKHOEITK-UHFFFAOYSA-N 1 0 288.435 3.002 40 0 CGABRO [NH3+]C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)CO ZINC000022113439 171353049 /nfs/dbraw/zinc/35/30/49/171353049.db2.gz RYJVKZDSPVLVMZ-YBEGLDIGSA-N 1 0 292.382 3.024 40 0 CGABRO Fc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1 ZINC000035314765 172122816 /nfs/dbraw/zinc/12/28/16/172122816.db2.gz BEPINYLANIFUKL-UHFFFAOYSA-N 1 0 269.323 3.034 40 0 CGABRO c1csc(C[N@@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)c1 ZINC000035442896 172202448 /nfs/dbraw/zinc/20/24/48/172202448.db2.gz HBIKQNYIGLALQK-NSHDSACASA-N 1 0 284.388 3.009 40 0 biogenic,in-vitro CGABRO Cc1ccc2oc([C@H]3CC[N@@H+](C4CCC4)C3)nc2c1 ZINC000035446475 172203180 /nfs/dbraw/zinc/20/31/80/172203180.db2.gz KRBCRSHSCISZQA-LBPRGKRZSA-N 1 0 256.349 3.478 40 0 biogenic,in-vitro CGABRO CCN(CC)C(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039750901 174172661 /nfs/dbraw/zinc/17/26/61/174172661.db2.gz BVCQLGYUGXVIDK-UHFFFAOYSA-N 1 0 288.435 3.075 40 0 CGABRO [NH3+]C[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCCC1 ZINC000039789200 174173572 /nfs/dbraw/zinc/17/35/72/174173572.db2.gz SAHMBTSGZRHQJZ-IBGZPJMESA-N 1 0 296.414 3.361 40 0 CGABRO CSc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000072324649 176369551 /nfs/dbraw/zinc/36/95/51/176369551.db2.gz JVJKUUUZHSHHMB-UKRRQHHQSA-N 1 0 276.449 3.077 40 0 CGABRO Fc1ccccc1CNc1cc(C2CC[NH2+]CC2)ccn1 ZINC000072365039 176380061 /nfs/dbraw/zinc/38/00/61/176380061.db2.gz FXNFSVBVJOTTAT-UHFFFAOYSA-N 1 0 285.366 3.300 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072375924 176385119 /nfs/dbraw/zinc/38/51/19/176385119.db2.gz JKUBYOPIHLEZDK-CQSZACIVSA-N 1 0 297.406 3.203 40 0 CGABRO Cc1cccc(Nc2ccc([C@@H]3CCCC[NH2+]3)cn2)n1 ZINC000072376694 176385237 /nfs/dbraw/zinc/38/52/37/176385237.db2.gz FIEKELXRNWBTKJ-AWEZNQCLSA-N 1 0 268.364 3.343 40 0 CGABRO Cc1ccccc1-c1cc([C@@H]2CCC[NH2+]2)nc(C)n1 ZINC000072386630 176392097 /nfs/dbraw/zinc/39/20/97/176392097.db2.gz HDNVCLCQAXPDRA-AWEZNQCLSA-N 1 0 253.349 3.185 40 0 CGABRO C[N@@H+]1CCc2cc3c(c4c2[C@@H]1Cc1ccccc1-4)OCO3 ZINC000000306694 277187423 /nfs/dbraw/zinc/18/74/23/277187423.db2.gz JCTYWRARKVGOBK-AWEZNQCLSA-N 1 0 279.339 3.167 40 0 endogenous,in-man CGABRO CC(C)(C)OC(=O)N[C@H]1CCC[NH2+][C@H]1c1ccccc1 ZINC000035905347 278442868 /nfs/dbraw/zinc/44/28/68/278442868.db2.gz XJVZJNCXBRDMQH-KBPBESRZSA-N 1 0 276.380 3.004 40 0 CGABRO Cc1ccc([C@@H]2[NH2+]CCc3nc4ccccc4n32)cc1 ZINC000019772812 278852050 /nfs/dbraw/zinc/85/20/50/278852050.db2.gz YAIFPHXKSMTVKA-QGZVFWFLSA-N 1 0 263.344 3.037 40 0 CGABRO NC1=[NH+]N(c2ccccc2)[C@H](c2ccc(F)cc2)C1 ZINC000222548253 303360564 /nfs/dbraw/zinc/36/05/64/303360564.db2.gz MFYRORUJXAGOHB-AWEZNQCLSA-N 1 0 255.296 3.049 40 0 CGABRO C[NH2+]C[C@H](OC(C)C)c1cccc(Br)c1 ZINC000050483505 522075666 /nfs/dbraw/zinc/07/56/66/522075666.db2.gz TWQUUMOPZHVPEJ-LBPRGKRZSA-N 1 0 272.186 3.135 40 0 CGABRO CCCC[C@H](C(=O)c1ccc2c(c1)OCO2)N1CCCC1 ZINC000299817233 570387838 /nfs/dbraw/zinc/38/78/38/570387838.db2.gz OBLFRFGUZZRECT-CQSZACIVSA-N 1 0 289.375 3.253 40 0 in-vitro CGABRO CC(C)[C@H]([NH3+])c1nnc(-c2ccc(C(C)(C)C)cc2)[nH]1 ZINC000095534782 185008326 /nfs/dbraw/zinc/00/83/26/185008326.db2.gz PMDDIAXFTUFWGJ-ZDUSSCGKSA-N 1 0 272.396 3.425 40 0 CGABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)cc1 ZINC000096055777 185076700 /nfs/dbraw/zinc/07/67/00/185076700.db2.gz QVOMJPGFJDWIPM-DLBZAZTESA-N 1 0 276.399 3.130 40 0 CGABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096056713 185077181 /nfs/dbraw/zinc/07/71/81/185077181.db2.gz WLUZQRWPHGWGOF-HZPDHXFCSA-N 1 0 295.448 3.074 40 0 CGABRO COC[C@@H]1COCCC12CC[NH+](Cc1cccs1)CC2 ZINC000096106252 185098678 /nfs/dbraw/zinc/09/86/78/185098678.db2.gz FEFIPINEQHBXHG-CQSZACIVSA-N 1 0 295.448 3.013 40 0 CGABRO C[NH2+]C[C@H](OC(C)C)c1ccccc1C(F)(F)F ZINC000062711744 290718765 /nfs/dbraw/zinc/71/87/65/290718765.db2.gz FTYLPFBCKUHWTC-LBPRGKRZSA-N 1 0 261.287 3.391 40 0 CGABRO O[C@]12CCCC[C@H]1C[N@H+](CC1=Cc3ccccc3OC1)CC2 ZINC000019375138 344890201 /nfs/dbraw/zinc/89/02/01/344890201.db2.gz DRALRCCXSSHPOB-HKUYNNGSSA-N 1 0 299.414 3.089 40 0 CGABRO C[N@@H+]1CC[C@H]2[C@@H](C1)c1ccccc1N2Cc1ccccc1 ZINC000059229692 345206682 /nfs/dbraw/zinc/20/66/82/345206682.db2.gz OFPJOWXBDHSDOQ-HKUYNNGSSA-N 1 0 278.399 3.495 40 0 CGABRO C[C@H]1CCCN([C@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000108018432 345936358 /nfs/dbraw/zinc/93/63/58/345936358.db2.gz HTUFBLYJYHUCRK-SMDDNHRTSA-N 1 0 297.240 3.181 40 0 CGABRO CN1C(=O)CC[C@]12CCC[N@H+](CC1CCCCC1)CC2 ZINC000585100532 346724512 /nfs/dbraw/zinc/72/45/12/346724512.db2.gz MNHUPRSDQCVRAM-KRWDZBQOSA-N 1 0 278.440 3.044 40 0 CGABRO CCC[C@H](C(=O)c1ccc2c(c1)OCO2)[NH+](CC)CC ZINC000601032718 347854129 /nfs/dbraw/zinc/85/41/29/347854129.db2.gz CUPSLSIMIHCVIA-CYBMUJFWSA-N 1 0 277.364 3.109 40 0 in-vitro CGABRO CCOC(=O)CC1([NH2+]Cc2ccccc2)CCCC1 ZINC000072210254 137938363 /nfs/dbraw/zinc/93/83/63/137938363.db2.gz HZXPKERHLKJBAQ-UHFFFAOYSA-N 1 0 261.365 3.042 40 0 CGABRO C[NH2+][C@H](c1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207658 283678993 /nfs/dbraw/zinc/67/89/93/283678993.db2.gz JARAEFPSWXWDOV-HUUCEWRRSA-N 1 0 290.407 3.347 40 0 CGABRO Cc1nc(CN2CCC[C@H](c3nccs3)C2)cs1 ZINC000120592048 370784222 /nfs/dbraw/zinc/78/42/22/370784222.db2.gz UJIYMULOXZRMMR-NSHDSACASA-N 1 0 279.434 3.288 40 0 CGABRO COc1cccc(NC[C@H](C)[NH2+]Cc2ccccc2)c1 ZINC000212414986 189689366 /nfs/dbraw/zinc/68/93/66/189689366.db2.gz OBRCVGPSHAITEE-AWEZNQCLSA-N 1 0 270.376 3.285 40 0 CGABRO O=C(c1ccccc1Nc1cc[nH+]cc1)N1CCCCC1 ZINC000000001848 368269304 /nfs/dbraw/zinc/26/93/04/368269304.db2.gz YMODINPJYNHPTM-UHFFFAOYSA-N 1 0 281.359 3.451 40 0 in-man CGABRO C[NH+](C)C[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000000340666 368342925 /nfs/dbraw/zinc/34/29/25/368342925.db2.gz GJUPMIOTRBVKSA-INIZCTEOSA-N 1 0 253.345 3.215 40 0 CGABRO CC[C@H](CNc1cc(OC)cc2cccnc21)[NH2+]C(C)C ZINC000001591902 368422149 /nfs/dbraw/zinc/42/21/49/368422149.db2.gz NEJXNENEWVFUGQ-CQSZACIVSA-N 1 0 287.407 3.432 40 0 CGABRO CC[NH+](CC)CCCOc1ncnc2ccc(Cl)cc21 ZINC000001683341 368431540 /nfs/dbraw/zinc/43/15/40/368431540.db2.gz RFXSGZQIALYCGK-UHFFFAOYSA-N 1 0 293.798 3.394 40 0 CGABRO O[C@H](c1c(Cl)cccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000001706319 368433148 /nfs/dbraw/zinc/43/31/48/368433148.db2.gz VNWCXEQFYINONO-PWSUYJOCSA-N 1 0 260.164 3.169 40 0 CGABRO Cc1cc(C)c(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000003865339 368522473 /nfs/dbraw/zinc/52/24/73/368522473.db2.gz RRGHERDNNOVPPF-DLBZAZTESA-N 1 0 291.435 3.226 40 0 CGABRO COCC[NH2+]Cc1cc2cc(C)c(C)cc2nc1Cl ZINC000013535452 368655794 /nfs/dbraw/zinc/65/57/94/368655794.db2.gz PDLUBTVJRBRXPC-UHFFFAOYSA-N 1 0 278.783 3.241 40 0 CGABRO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019359691 368750389 /nfs/dbraw/zinc/75/03/89/368750389.db2.gz VUWCGXZFELHEBO-CEXWTWQISA-N 1 0 282.431 3.016 40 0 CGABRO CC(C)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020107750 368804071 /nfs/dbraw/zinc/80/40/71/368804071.db2.gz PYOMRHFNZWLRML-AWEZNQCLSA-N 1 0 274.408 3.057 40 0 CGABRO C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000024321161 368831071 /nfs/dbraw/zinc/83/10/71/368831071.db2.gz NZJHIZTXPKLNMN-UHFFFAOYSA-N 1 0 281.334 3.398 40 0 CGABRO Cc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c(C(C)(C)C)c1 ZINC000026781085 368863872 /nfs/dbraw/zinc/86/38/72/368863872.db2.gz GPFQDYAUIGQVJS-AWEZNQCLSA-N 1 0 279.424 3.030 40 0 CGABRO CCCC(CCC)CCC[C@H]1COCC[N@@H+]1CCO ZINC000031283197 368912506 /nfs/dbraw/zinc/91/25/06/368912506.db2.gz QSFOWAYMMZCQNF-INIZCTEOSA-N 1 0 271.445 3.066 40 0 in-man CGABRO Brc1ccc2[nH]c([C@@H]3CCCC[NH2+]3)nc2c1 ZINC000037441236 369084773 /nfs/dbraw/zinc/08/47/73/369084773.db2.gz IJBISQGUDCIZBL-JTQLQIEISA-N 1 0 280.169 3.140 40 0 CGABRO CC[NH+](CC)Cc1cc(Br)ccc1OC ZINC000042211195 369204167 /nfs/dbraw/zinc/20/41/67/369204167.db2.gz SREGVCUXAPQBQP-UHFFFAOYSA-N 1 0 272.186 3.300 40 0 CGABRO C[C@@H](C[NH2+]Cc1ccccc1Cl)C(=O)OC(C)(C)C ZINC000047219124 369310468 /nfs/dbraw/zinc/31/04/68/369310468.db2.gz CWYPZUPXNJKXHY-NSHDSACASA-N 1 0 283.799 3.407 40 0 CGABRO CC(C)CC[N@@H+]1CC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000049169059 369390758 /nfs/dbraw/zinc/39/07/58/369390758.db2.gz KWOWJOFZTYDRHP-ZDUSSCGKSA-N 1 0 257.381 3.398 40 0 biogenic,in-vitro CGABRO Cc1cc2nc(C3CC[NH2+]CC3)oc2c(Br)c1 ZINC000062560958 369624414 /nfs/dbraw/zinc/62/44/14/369624414.db2.gz TVKSPIWGZOIICQ-UHFFFAOYSA-N 1 0 295.180 3.366 40 0 CGABRO C[NH+]1CCC(CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000074921010 369891494 /nfs/dbraw/zinc/89/14/94/369891494.db2.gz SJBISXYBFQNKLK-UHFFFAOYSA-N 1 0 284.762 3.150 40 0 CGABRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079620972 369972668 /nfs/dbraw/zinc/97/26/68/369972668.db2.gz YPTUKDMLIHJEST-OAHLLOKOSA-N 1 0 288.435 3.059 40 0 CGABRO CC(C)(C)c1ccc(-c2noc(CSC(N)=[NH2+])n2)cc1 ZINC000089262033 370039883 /nfs/dbraw/zinc/03/98/83/370039883.db2.gz NNDDVPFDQOAPJG-UHFFFAOYSA-N 1 0 290.392 3.161 40 0 CGABRO C[N@@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)Nc1cccc(F)c1 ZINC000096252219 370209412 /nfs/dbraw/zinc/20/94/12/370209412.db2.gz QXFJBMGVOOQUFV-OCZCAGDBSA-N 1 0 290.382 3.132 40 0 CGABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)N1c1ccccc1 ZINC000096056614 370203301 /nfs/dbraw/zinc/20/33/01/370203301.db2.gz QGLPJNIQJUBHBQ-IAGOWNOFSA-N 1 0 296.370 3.050 40 0 CGABRO c1cc(COC[C@@]23CCC[C@@H]2C[N@H+](CC2CC2)C3)ccn1 ZINC000096207293 370207000 /nfs/dbraw/zinc/20/70/00/370207000.db2.gz SRYQSHLQFWNXBJ-MSOLQXFVSA-N 1 0 286.419 3.110 40 0 CGABRO CC(C)[NH2+][C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100177513 370272560 /nfs/dbraw/zinc/27/25/60/370272560.db2.gz UCBZLXRRPOSCJK-IYBDPMFKSA-N 1 0 290.407 3.222 40 0 CGABRO CC[C@@H](C)n1nccc1C[NH2+]CCc1cccc(OC)c1 ZINC000256055166 190005577 /nfs/dbraw/zinc/00/55/77/190005577.db2.gz ZMZCMJMFAQDXGE-CQSZACIVSA-N 1 0 287.407 3.195 40 0 CGABRO Cc1ccc(C[C@H]2CCC[N@H+](Cc3cncs3)C2)cn1 ZINC000257219857 190014217 /nfs/dbraw/zinc/01/42/17/190014217.db2.gz DIMMPKKAKVQICF-OAHLLOKOSA-N 1 0 287.432 3.301 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H](Cc2ccnc(-c3ccnn3C)c2)C1 ZINC000257241611 190018720 /nfs/dbraw/zinc/01/87/20/190018720.db2.gz HYSKERPBETZDCL-INIZCTEOSA-N 1 0 298.434 3.145 40 0 CGABRO CC(C)Cc1ncc(-c2cncc([C@@H]3CCC[NH2+]3)n2)s1 ZINC000257291109 190027450 /nfs/dbraw/zinc/02/74/50/190027450.db2.gz QFSKGCKIZCHSHY-NSHDSACASA-N 1 0 288.420 3.223 40 0 CGABRO c1cc(C[N@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)n[nH]1 ZINC000257326525 190035215 /nfs/dbraw/zinc/03/52/15/190035215.db2.gz WXNMNNFYFQLDAU-AWEZNQCLSA-N 1 0 292.386 3.023 40 0 CGABRO CC[C@@H]([NH2+]CC(C)C)c1cc(OC)ccc1OC ZINC000222636015 376240717 /nfs/dbraw/zinc/24/07/17/376240717.db2.gz OKJYAKKKQLIXQQ-CQSZACIVSA-N 1 0 251.370 3.401 40 0 CGABRO COCCC[NH2+]Cc1cccn1-c1ccccc1Cl ZINC000223684573 376259343 /nfs/dbraw/zinc/25/93/43/376259343.db2.gz COJJCFHJEDIHEQ-UHFFFAOYSA-N 1 0 278.783 3.257 40 0 CGABRO COCCC[NH2+]Cc1cccn1-c1ccc(C)c(C)c1 ZINC000223682402 376259377 /nfs/dbraw/zinc/25/93/77/376259377.db2.gz CTWMABIXRXRGGL-UHFFFAOYSA-N 1 0 272.392 3.220 40 0 CGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(F)c1 ZINC000224957534 376290193 /nfs/dbraw/zinc/29/01/93/376290193.db2.gz PGCBWJZTMZDKQJ-INIZCTEOSA-N 1 0 292.398 3.210 40 0 CGABRO COCCC[NH2+][C@H](C)c1cccc(OCC(C)C)c1 ZINC000225166906 376297486 /nfs/dbraw/zinc/29/74/86/376297486.db2.gz JMBPGGQXRKNPMM-CQSZACIVSA-N 1 0 265.397 3.409 40 0 CGABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH2+]C1CCCC1 ZINC000004320490 184531671 /nfs/dbraw/zinc/53/16/71/184531671.db2.gz NNSJFMSDVCESAL-NRSFXHEJSA-N 1 0 297.483 3.357 40 0 CGABRO c1ccc([C@H]2[C@H]([NH2+]C[C@@H]3CCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000019373725 184534319 /nfs/dbraw/zinc/53/43/19/184534319.db2.gz MDOWAAUMGYZGRS-OGCZYDBJSA-N 1 0 271.404 3.195 40 0 CGABRO [NH3+]CC1(c2cc(-c3ccc(Cl)cc3)on2)CCC1 ZINC000072220672 256706670 /nfs/dbraw/zinc/70/66/70/256706670.db2.gz XLLFTEPKQGXEEL-UHFFFAOYSA-N 1 0 262.740 3.375 40 0 CGABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccccc2C(F)(F)F)C1 ZINC000022214537 391944786 /nfs/dbraw/zinc/94/47/86/391944786.db2.gz QXBLZPZKYKSHMT-RISCZKNCSA-N 1 0 286.341 3.437 40 0 CGABRO Cc1cc(N2CCCC2)ncc1[C@H]1CCCC[N@H+]1C ZINC000072218875 392200355 /nfs/dbraw/zinc/20/03/55/392200355.db2.gz ZJOZHUVRZCOQGC-OAHLLOKOSA-N 1 0 259.397 3.147 40 0 CGABRO CC[NH+]1CCN(c2ncc(SC(C)(C)C)cc2C)CC1 ZINC000072222599 392201439 /nfs/dbraw/zinc/20/14/39/392201439.db2.gz PLWYQRKEMJJQNK-UHFFFAOYSA-N 1 0 293.480 3.423 40 0 CGABRO CC[C@@H]([NH3+])c1cnc(NCc2ccccc2)cc1C ZINC000072223377 392203115 /nfs/dbraw/zinc/20/31/15/392203115.db2.gz RQHWHOFENLJAEQ-OAHLLOKOSA-N 1 0 255.365 3.412 40 0 CGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccccc1Cl)C(C)C ZINC000079420636 392220520 /nfs/dbraw/zinc/22/05/20/392220520.db2.gz MPFFBCCZOFTTQO-AWEZNQCLSA-N 1 0 282.815 3.060 40 0 CGABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2cccc(C)n2)o1 ZINC000096184674 392246561 /nfs/dbraw/zinc/24/65/61/392246561.db2.gz VLWWFIYDAHQFPC-IRXDYDNUSA-N 1 0 297.402 3.145 40 0 CGABRO CCOC(=O)C[C@@H](c1ccc(OC)cc1)[NH+](CC)CC ZINC000072210308 397640561 /nfs/dbraw/zinc/64/05/61/397640561.db2.gz NCFSJGNMLWASPR-HNNXBMFYSA-N 1 0 279.380 3.031 40 0 CGABRO Cc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H](C)O)cc1 ZINC000001666300 292256601 /nfs/dbraw/zinc/25/66/01/292256601.db2.gz YOEGRQBPLQTJFF-QAPCUYQASA-N 1 0 269.388 3.249 40 0 CGABRO Cc1ccc(C2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000004887418 170036359 /nfs/dbraw/zinc/03/63/59/170036359.db2.gz AZGNTLLAVWZVIQ-UHFFFAOYSA-N 1 0 281.399 3.479 40 0 CGABRO CCC[C@@H](O)C[NH2+]C[C@H]1CC[C@@H]2CCc3cccc1c32 ZINC000005731980 170135119 /nfs/dbraw/zinc/13/51/19/170135119.db2.gz IPOQXZDRQPLOFD-ARFHVFGLSA-N 1 0 273.420 3.344 40 0 CGABRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000006363789 170195481 /nfs/dbraw/zinc/19/54/81/170195481.db2.gz GKBCORDGERFHGG-CQSZACIVSA-N 1 0 279.424 3.231 40 0 CGABRO COc1ccc2[nH]cc(/C=C/c3cc[n+](C)cc3)c2c1 ZINC000006760047 170241797 /nfs/dbraw/zinc/24/17/97/170241797.db2.gz DTOJGWRGDGMHBF-UHFFFAOYSA-O 1 0 265.336 3.171 40 0 CGABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC(C)(C)C)cc2)C1 ZINC000020481527 171222458 /nfs/dbraw/zinc/22/24/58/171222458.db2.gz DKQLZGYJZILSTR-CQSZACIVSA-N 1 0 288.435 3.447 40 0 CGABRO Cc1cc(Cc2ccccc2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072354405 176374975 /nfs/dbraw/zinc/37/49/75/176374975.db2.gz AYUOKNICEACXLO-QGZVFWFLSA-N 1 0 266.388 3.448 40 0 CGABRO COc1cccc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000072356399 176375451 /nfs/dbraw/zinc/37/54/51/176375451.db2.gz DBWNWRJZXJKTAK-CQSZACIVSA-N 1 0 268.360 3.224 40 0 CGABRO Fc1ccccc1Cc1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072356414 176375524 /nfs/dbraw/zinc/37/55/24/176375524.db2.gz ALLRCLGTWNWBQX-CQSZACIVSA-N 1 0 270.351 3.279 40 0 CGABRO Fc1cccc(-c2cccc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000072356398 176375604 /nfs/dbraw/zinc/37/56/04/176375604.db2.gz AIGJHGQZYKNBAY-ZDUSSCGKSA-N 1 0 256.324 3.355 40 0 CGABRO Cc1cccc(-c2cncc([C@@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000072359269 176376600 /nfs/dbraw/zinc/37/66/00/176376600.db2.gz SGLXAQOLRGQOIN-OAHLLOKOSA-N 1 0 267.376 3.261 40 0 CGABRO Fc1ccc(Cc2cnc(C[C@@H]3CCC[NH2+]CC3)cn2)cc1 ZINC000072363331 176377621 /nfs/dbraw/zinc/37/76/21/176377621.db2.gz JRXIUSYJMCLYMY-CQSZACIVSA-N 1 0 299.393 3.139 40 0 CGABRO COc1ccccc1-c1cc(CC[C@H]2CCCC[NH2+]2)ncn1 ZINC000072365112 176380072 /nfs/dbraw/zinc/38/00/72/176380072.db2.gz WCZNLWIEBTWQEE-CQSZACIVSA-N 1 0 297.402 3.227 40 0 CGABRO COc1cccc(-c2ccnc(C3CC[NH2+]CC3)c2)c1 ZINC000072386790 176392292 /nfs/dbraw/zinc/39/22/92/176392292.db2.gz MMPAOZHXOAOWHJ-UHFFFAOYSA-N 1 0 268.360 3.224 40 0 CGABRO CC12c3ccccc3C(c3ccccc31)[C@H]1C[NH2+]C[C@@H]12 ZINC000072397454 176394801 /nfs/dbraw/zinc/39/48/01/176394801.db2.gz QJGCHEPPYDFSSH-MVFQDEJUSA-N 1 0 261.368 3.287 40 0 CGABRO c1nc(N2CCCC2)ncc1C[NH2+]CCC1=CCCCC1 ZINC000062717824 262303108 /nfs/dbraw/zinc/30/31/08/262303108.db2.gz DAHMPJYVUZYWFD-UHFFFAOYSA-N 1 0 286.423 3.057 40 0 CGABRO Cc1cn(C)c([C@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000257322536 262745833 /nfs/dbraw/zinc/74/58/33/262745833.db2.gz WGJQSMDJEPZDEN-MRXNPFEDSA-N 1 0 269.392 3.108 40 0 CGABRO C[NH+]1CCC2(CC1)CC(=O)c1cccc(C(F)(F)F)c1O2 ZINC000225827122 277035409 /nfs/dbraw/zinc/03/54/09/277035409.db2.gz PVPRPBDDDSVMQU-UHFFFAOYSA-N 1 0 299.292 3.135 40 0 CGABRO CC12c3ccccc3C(c3ccccc31)[C@H]1C[NH2+]C[C@H]12 ZINC000072397456 281614250 /nfs/dbraw/zinc/61/42/50/281614250.db2.gz QJGCHEPPYDFSSH-PEKORBKZSA-N 1 0 261.368 3.287 40 0 CGABRO c1ccc([C@@H]2[C@@H](c3ccccc3)[NH+]3CCN2CC3)cc1 ZINC000019370013 326855084 /nfs/dbraw/zinc/85/50/84/326855084.db2.gz BPGBCVSCWAFKHK-QZTJIDSGSA-N 1 0 264.372 3.100 40 0 CGABRO Cc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[NH2+]1 ZINC000072398211 327110383 /nfs/dbraw/zinc/11/03/83/327110383.db2.gz TWBDTVCLJWXRSH-DOMZBBRYSA-N 1 0 290.370 3.054 40 0 CGABRO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000367466901 527534782 /nfs/dbraw/zinc/53/47/82/527534782.db2.gz DLSXMBKLWCNFFI-BXBHGGAKSA-N 1 0 295.430 3.388 40 0 CGABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000000568239 528192812 /nfs/dbraw/zinc/19/28/12/528192812.db2.gz WKKBXLZHFCDLSC-UHFFFAOYSA-N 1 0 272.348 3.374 40 0 CGABRO CC(C)[C@@H]([NH3+])c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000095534769 185007909 /nfs/dbraw/zinc/00/79/09/185007909.db2.gz YYXFOBZBYVGRED-SNVBAGLBSA-N 1 0 284.285 3.146 40 0 CGABRO Cc1ccccc1-c1nnc([C@@H]([NH3+])Cc2ccccc2)[nH]1 ZINC000095534891 185008562 /nfs/dbraw/zinc/00/85/62/185008562.db2.gz TVFURRFLTZEMQS-HNNXBMFYSA-N 1 0 278.359 3.023 40 0 CGABRO COc1ccc(CN2CCC3(CCCC[N@@H+]3C)CC2)cc1 ZINC000096051198 185073921 /nfs/dbraw/zinc/07/39/21/185073921.db2.gz UVFNKOSNOLYUOP-UHFFFAOYSA-N 1 0 288.435 3.146 40 0 CGABRO CC[C@@H]1[N@H+](Cc2ccsc2)CCC[C@]12CCC(=O)N2C ZINC000096052413 185074123 /nfs/dbraw/zinc/07/41/23/185074123.db2.gz LPTAPQCLFWZXIB-HOCLYGCPSA-N 1 0 292.448 3.114 40 0 CGABRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)s1 ZINC000096061559 185082299 /nfs/dbraw/zinc/08/22/99/185082299.db2.gz JXOIMWQUUOIMIW-DLBZAZTESA-N 1 0 287.428 3.234 40 0 CGABRO CCOCC[C@@H]1Cn2cccc2C[N@H+](CC2CCC2)C1 ZINC000585095091 346724222 /nfs/dbraw/zinc/72/42/22/346724222.db2.gz DZGSBRNKQBBMTK-INIZCTEOSA-N 1 0 276.424 3.147 40 0 CGABRO Cn1cnc2c1cc(C1CC[NH2+]CC1)nc2-c1ccccc1 ZINC000107493388 186175854 /nfs/dbraw/zinc/17/58/54/186175854.db2.gz FMAORWCFBJXODF-UHFFFAOYSA-N 1 0 292.386 3.102 40 0 CGABRO COc1ccccc1[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000156165366 188246693 /nfs/dbraw/zinc/24/66/93/188246693.db2.gz SUADLAKCMLFWMR-HNNXBMFYSA-N 1 0 268.360 3.080 40 0 CGABRO C[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)[C@H](O)C1 ZINC000001646400 368426412 /nfs/dbraw/zinc/42/64/12/368426412.db2.gz VQALXBBEVZUWGN-GOSISDBHSA-N 1 0 281.399 3.059 40 0 CGABRO CCOP(=O)(CC[NH+](C(C)C)C(C)C)OCC ZINC000001668963 368429099 /nfs/dbraw/zinc/42/90/99/368429099.db2.gz QGLCCXGQPBBMIT-UHFFFAOYSA-N 1 0 265.334 3.371 40 0 CGABRO C[NH+](C)C[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001670705 368429217 /nfs/dbraw/zinc/42/92/17/368429217.db2.gz XEUOPBITPYQCMJ-DLBZAZTESA-N 1 0 255.361 3.065 40 0 CGABRO FC(F)(F)c1cccc(-c2nnc(C3CC[NH2+]CC3)o2)c1 ZINC000002510703 368457168 /nfs/dbraw/zinc/45/71/68/368457168.db2.gz VGEXKDXWQBSFKW-UHFFFAOYSA-N 1 0 297.280 3.222 40 0 CGABRO CCN(CC)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010365921 368581075 /nfs/dbraw/zinc/58/10/75/368581075.db2.gz BWXUYVSWPBQTGS-UHFFFAOYSA-N 1 0 274.408 3.155 40 0 CGABRO COc1cc(SC(C)C)c(OC)cc1C[C@H](C)[NH3+] ZINC000013641754 368660159 /nfs/dbraw/zinc/66/01/59/368660159.db2.gz BCWCXWKCQMBFBQ-JTQLQIEISA-N 1 0 269.410 3.094 40 0 in-vitro CGABRO CCOc1cc(C=O)ccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000015014299 368688319 /nfs/dbraw/zinc/68/83/19/368688319.db2.gz ZZKZXXSEENWWQU-CQSZACIVSA-N 1 0 291.391 3.151 40 0 CGABRO Cc1ccccc1CN1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019789420 368766108 /nfs/dbraw/zinc/76/61/08/368766108.db2.gz DPCQQPCWHPGDFM-HBFSDRIKSA-N 1 0 296.458 3.325 40 0 CGABRO CCN(CC)[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000019260216 368746441 /nfs/dbraw/zinc/74/64/41/368746441.db2.gz YFADDHNWQFVQJP-GFCCVEGCSA-N 1 0 261.196 3.335 40 0 CGABRO c1c2cccnc2[nH]c1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019346917 368747840 /nfs/dbraw/zinc/74/78/40/368747840.db2.gz HZSACAQHSUAIAE-INIZCTEOSA-N 1 0 292.386 3.338 40 0 CGABRO O[C@@]12CCCC[C@@H]1C[N@H+](CC1=Cc3ccccc3OC1)CC2 ZINC000019375133 368750493 /nfs/dbraw/zinc/75/04/93/368750493.db2.gz DRALRCCXSSHPOB-IEBWSBKVSA-N 1 0 299.414 3.089 40 0 CGABRO c1cc(OC2CCCC2)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000032121896 368926725 /nfs/dbraw/zinc/92/67/25/368926725.db2.gz WYJXBTDWRSIQSM-KRWDZBQOSA-N 1 0 275.392 3.277 40 0 CGABRO c1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)nc1 ZINC000049168881 369390622 /nfs/dbraw/zinc/39/06/22/369390622.db2.gz IWUNLTLSIMMCCS-ZDUSSCGKSA-N 1 0 279.343 3.212 40 0 biogenic,in-vitro CGABRO Cc1nc(N(C)C)ccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072218761 369815210 /nfs/dbraw/zinc/81/52/10/369815210.db2.gz SKYTUHJGSNISBT-OAHLLOKOSA-N 1 0 261.413 3.391 40 0 CGABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1NC1CC1 ZINC000072213722 369815380 /nfs/dbraw/zinc/81/53/80/369815380.db2.gz HSCRDEAPPJFXFJ-HNNXBMFYSA-N 1 0 259.397 3.449 40 0 CGABRO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000088611783 370036995 /nfs/dbraw/zinc/03/69/95/370036995.db2.gz GPXKIJMETNRECD-HNNXBMFYSA-N 1 0 286.375 3.364 40 0 CGABRO CC[C@H](C)Oc1c(C)cc(-c2noc(CC[NH3+])n2)cc1C ZINC000095095365 370174830 /nfs/dbraw/zinc/17/48/30/370174830.db2.gz YRJNJONAVHUKLQ-LBPRGKRZSA-N 1 0 289.379 3.032 40 0 CGABRO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(Cl)cc3)C2)C1 ZINC000096268574 370209544 /nfs/dbraw/zinc/20/95/44/370209544.db2.gz XCLAKTGLPULDCJ-INIZCTEOSA-N 1 0 278.827 3.258 40 0 CGABRO c1ccc2c(c1)N[C@@H]1[C@H]2CC[N@@H+]2C[C@@H]3CCCC[C@H]3[C@@H]12 ZINC000102805618 370312186 /nfs/dbraw/zinc/31/21/86/370312186.db2.gz LKHAUIVLOLWBIF-FWOLOJGPSA-N 1 0 268.404 3.459 40 0 CGABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[C@]21CC[NH2+]1 ZINC000306145568 374128051 /nfs/dbraw/zinc/12/80/51/374128051.db2.gz IRFFMHGBGDBCDC-MRXNPFEDSA-N 1 0 290.363 3.005 40 0 CGABRO Cc1cccc(Oc2cncc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000257198323 190010603 /nfs/dbraw/zinc/01/06/03/190010603.db2.gz YYTRSMDCQLRDMF-ZDUSSCGKSA-N 1 0 269.348 3.044 40 0 CGABRO Cc1cn(C)c([C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000257234001 190016885 /nfs/dbraw/zinc/01/68/85/190016885.db2.gz GRQWRQPQMGQIPS-AWEZNQCLSA-N 1 0 261.413 3.241 40 0 CGABRO c1ncc(C[N@H+]2CCC[C@H]2CCc2ccncc2)s1 ZINC000257233850 190017211 /nfs/dbraw/zinc/01/72/11/190017211.db2.gz GQZOXPKDKJUNFF-AWEZNQCLSA-N 1 0 273.405 3.135 40 0 CGABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nccc(C)n3)C2)cc1 ZINC000257220371 190014835 /nfs/dbraw/zinc/01/48/35/190014835.db2.gz DKOOUKUHNKFZFZ-INIZCTEOSA-N 1 0 267.376 3.083 40 0 CGABRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccccc3C)C2)n1 ZINC000257223838 190014916 /nfs/dbraw/zinc/01/49/16/190014916.db2.gz DZCYCOMBRCJQFW-INIZCTEOSA-N 1 0 267.376 3.083 40 0 CGABRO c1ccc2c(CC3CC[NH+]([C@@H]4CCOC4)CC3)ccnc2c1 ZINC000257273440 190024888 /nfs/dbraw/zinc/02/48/88/190024888.db2.gz NGOYWQPIBNRANC-QGZVFWFLSA-N 1 0 296.414 3.278 40 0 CGABRO Cc1cccc(Cl)c1-c1noc(C2CC[NH2+]CC2)n1 ZINC000199783213 376124214 /nfs/dbraw/zinc/12/42/14/376124214.db2.gz NMNQLYNXEKIPRU-UHFFFAOYSA-N 1 0 277.755 3.165 40 0 CGABRO [NH3+]Cc1cc2cccc(Br)c2nc1Cl ZINC000259325459 542354909 /nfs/dbraw/zinc/35/49/09/542354909.db2.gz KPNUOWAJCFGUHL-UHFFFAOYSA-N 1 0 271.545 3.109 40 0 CGABRO CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc2ccccc21 ZINC000019484195 391936082 /nfs/dbraw/zinc/93/60/82/391936082.db2.gz VLGDNYIGYOVDNV-CQSZACIVSA-N 1 0 256.349 3.152 40 0 CGABRO C[NH+](C)C[C@@](C)(Oc1ccccc1)[C@@H](O)c1ccccc1 ZINC000001843236 391913707 /nfs/dbraw/zinc/91/37/07/391913707.db2.gz VLTKRRBYKMGKNV-ZWKOTPCHSA-N 1 0 285.387 3.119 40 0 CGABRO [NH3+]C[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000054561861 392092676 /nfs/dbraw/zinc/09/26/76/392092676.db2.gz LZPGXIBBYHVXSV-RDJZCZTQSA-N 1 0 253.345 3.328 40 0 CGABRO OC[C@H](c1cccc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000070453053 392184141 /nfs/dbraw/zinc/18/41/41/392184141.db2.gz QPUVTGNDAKJEMI-CYBMUJFWSA-N 1 0 273.298 3.225 40 0 CGABRO CNc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212466 392197282 /nfs/dbraw/zinc/19/72/82/392197282.db2.gz TUZPLAISOKKPDJ-MRXNPFEDSA-N 1 0 267.376 3.460 40 0 CGABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(C)CC)nc1 ZINC000072212722 392199240 /nfs/dbraw/zinc/19/92/40/392199240.db2.gz FESCBUXSPGKIQA-HNNXBMFYSA-N 1 0 261.413 3.475 40 0 CGABRO Cc1cc(=O)[nH]cc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218130 392200492 /nfs/dbraw/zinc/20/04/92/392200492.db2.gz XOYJSMCJFFKWGK-MRXNPFEDSA-N 1 0 268.360 3.433 40 0 CGABRO CC(C)c1[nH]c2ncccc2c1C[NH+]1CCSCC1 ZINC000072393350 392205662 /nfs/dbraw/zinc/20/56/62/392205662.db2.gz WPPQZKQRWRWMRC-UHFFFAOYSA-N 1 0 275.421 3.235 40 0 CGABRO COc1ccc([C@@H]2C[NH2+]Cc3ccccc3C2)cc1OC ZINC000096524355 392257240 /nfs/dbraw/zinc/25/72/40/392257240.db2.gz IHIMIIAOOJJZRJ-INIZCTEOSA-N 1 0 283.371 3.133 40 0 CGABRO CC(C)(C)OC(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC000096974777 392259086 /nfs/dbraw/zinc/25/90/86/392259086.db2.gz ZXEHOZNMWWBHDT-UHFFFAOYSA-N 1 0 288.391 3.016 40 0 CGABRO CCOC(=O)C[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000072210314 397640564 /nfs/dbraw/zinc/64/05/64/397640564.db2.gz WPFDDZGLXLXGBC-HNNXBMFYSA-N 1 0 279.355 3.306 40 0 CGABRO c1csc([C@H]2Nc3ccccc3C3=[NH+]CCCN32)c1 ZINC000012144182 296641759 /nfs/dbraw/zinc/64/17/59/296641759.db2.gz XRPWUKJZGQMKTO-HNNXBMFYSA-N 1 0 269.373 3.325 40 0 CGABRO Cc1cc(C)[n+]2cc(C(F)(F)F)cc(Cl)c2n1 ZINC000002145762 169776768 /nfs/dbraw/zinc/77/67/68/169776768.db2.gz RCNUTLJHFRXSSV-UHFFFAOYSA-N 1 0 261.654 3.109 40 0 CGABRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CCCCC1 ZINC000006001476 170167240 /nfs/dbraw/zinc/16/72/40/170167240.db2.gz AUULAHNRCXSKGA-HNNXBMFYSA-N 1 0 297.826 3.344 40 0 CGABRO CC[NH2+]Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000007520060 170288135 /nfs/dbraw/zinc/28/81/35/170288135.db2.gz BCSXEHXBJPVTRD-UHFFFAOYSA-N 1 0 273.332 3.233 40 0 CGABRO CCCCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039753299 174172042 /nfs/dbraw/zinc/17/20/42/174172042.db2.gz AOTFJDNTOUGIPZ-UHFFFAOYSA-N 1 0 288.435 3.205 40 0 CGABRO CC(C)Oc1ccc2ccccc2c1CN1CC[NH2+]CC1 ZINC000071445789 176175599 /nfs/dbraw/zinc/17/55/99/176175599.db2.gz RSWDFVMCRCBFRR-UHFFFAOYSA-N 1 0 284.403 3.032 40 0 CGABRO Fc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000072351000 176373959 /nfs/dbraw/zinc/37/39/59/176373959.db2.gz OCHYUZVNNGFYHU-UHFFFAOYSA-N 1 0 286.350 3.264 40 0 CGABRO C[N@@H+]1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358362 176375926 /nfs/dbraw/zinc/37/59/26/176375926.db2.gz QMRVSWBWEAXRTQ-LBPRGKRZSA-N 1 0 271.339 3.092 40 0 CGABRO C[N@@H+]1CCC[C@H](c2ccc(-c3ccc(CO)cc3)cn2)C1 ZINC000072365257 176380522 /nfs/dbraw/zinc/38/05/22/176380522.db2.gz CNMCJFWFIIJTHM-KRWDZBQOSA-N 1 0 282.387 3.050 40 0 CGABRO C[N@@H+]1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375106 176385355 /nfs/dbraw/zinc/38/53/55/176385355.db2.gz RCXPCXOVZXIAJA-NSHDSACASA-N 1 0 260.366 3.048 40 0 CGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C)C2)cc1 ZINC000072384979 176388778 /nfs/dbraw/zinc/38/87/78/176388778.db2.gz LPLKCXAXGOXJEN-HNNXBMFYSA-N 1 0 285.391 3.106 40 0 CGABRO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)c1 ZINC000072385066 176389459 /nfs/dbraw/zinc/38/94/59/176389459.db2.gz KLMKVHCTAUILGA-QGZVFWFLSA-N 1 0 283.375 3.212 40 0 CGABRO C[C@@H]1CCC[C@H](C)[N@H+]1CCOc1cccc(C=O)c1 ZINC000217788648 262344668 /nfs/dbraw/zinc/34/46/68/262344668.db2.gz ONBWXIDWHYEVNX-OKILXGFUSA-N 1 0 261.365 3.141 40 0 CGABRO Cc1cc(N2CC[NH2+]CC2)c2cc(Cl)cc(Cl)c2n1 ZINC000032500254 274708435 /nfs/dbraw/zinc/70/84/35/274708435.db2.gz UXRAKEJKYLOXBC-UHFFFAOYSA-N 1 0 296.201 3.260 40 0 CGABRO CC[N@@H+]1CCC[C@H]1c1cnc(N2CCCC2)cc1C ZINC000072218852 276379971 /nfs/dbraw/zinc/37/99/71/276379971.db2.gz AKWDUUPDZNYMBP-HNNXBMFYSA-N 1 0 259.397 3.147 40 0 CGABRO CC[C@H]([NH3+])c1ccc(N2CCc3ccccc3C2)nc1C ZINC000072224939 276580377 /nfs/dbraw/zinc/58/03/77/276580377.db2.gz ZUCOHNCTFJNXNZ-KRWDZBQOSA-N 1 0 281.403 3.363 40 0 CGABRO CCN(CC)[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000022214825 279145295 /nfs/dbraw/zinc/14/52/95/279145295.db2.gz CIMXURRRDNKBPD-LBPRGKRZSA-N 1 0 260.303 3.047 40 0 CGABRO Cc1ccc(NC(=O)c2cc([C@@H]3CCC[NH2+]C3)ccn2)cc1 ZINC000072365587 280910037 /nfs/dbraw/zinc/91/00/37/280910037.db2.gz GITMSVPSJZWFRB-OAHLLOKOSA-N 1 0 295.386 3.109 40 0 CGABRO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCC[NH2+]1 ZINC000072219292 293294024 /nfs/dbraw/zinc/29/40/24/293294024.db2.gz RULUEDUHQXILTA-HNNXBMFYSA-N 1 0 259.397 3.195 40 0 CGABRO CC(C)Nc1ncc(C[NH2+][C@H](C)CCc2ccccc2)cn1 ZINC000062717650 333175977 /nfs/dbraw/zinc/17/59/77/333175977.db2.gz CMEDETPYEUHVHN-OAHLLOKOSA-N 1 0 298.434 3.408 40 0 CGABRO Cc1ccccc1[C@@H](C)NC(=S)Nc1ccncc1 ZINC000225755344 567955090 /nfs/dbraw/zinc/95/50/90/567955090.db2.gz SORFVOBSLDUCLJ-GFCCVEGCSA-N 1 0 271.389 3.438 40 0 CGABRO C([C@H]1C[C@@H]1C1CCCCC1)[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714851 346304647 /nfs/dbraw/zinc/30/46/47/346304647.db2.gz MSFDEISPJHZVBL-TVFCKZIOSA-N 1 0 276.468 3.419 40 0 CGABRO Cc1cn2c(C[NH2+]CC(C)C)c(Cl)nc2s1 ZINC000256054956 346399435 /nfs/dbraw/zinc/39/94/35/346399435.db2.gz YMIVUVIJIOCTFA-UHFFFAOYSA-N 1 0 257.790 3.103 40 0 CGABRO CC(C)C[N@@H+]1CCC[C@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099685 346724731 /nfs/dbraw/zinc/72/47/31/346724731.db2.gz XRMHCENIZJIEPY-GOSISDBHSA-N 1 0 292.467 3.147 40 0 CGABRO Fc1ccc2ncc(-c3cccc([C@@H]4CCC[NH2+]C4)n3)n2c1 ZINC000585263236 346725815 /nfs/dbraw/zinc/72/58/15/346725815.db2.gz RDTWOHNBHPZNJJ-GFCCVEGCSA-N 1 0 296.349 3.002 40 0 CGABRO CCC[N@@H+]1CCCC[C@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218639 283322469 /nfs/dbraw/zinc/32/24/69/283322469.db2.gz SARUFQROCWEPON-HNNXBMFYSA-N 1 0 261.413 3.393 40 0 CGABRO FC(F)(F)c1cnc(C[n+]2ccccc2)c(Cl)c1 ZINC000000160166 368306402 /nfs/dbraw/zinc/30/64/02/368306402.db2.gz KYOXPFPAPIAKNN-UHFFFAOYSA-N 1 0 273.665 3.090 40 0 CGABRO C[NH+](C)[C@H]1Cc2ccccc2[C@H]1OC(=O)c1ccccc1 ZINC000001568909 368419480 /nfs/dbraw/zinc/41/94/80/368419480.db2.gz XHYXVRAZPBSVMR-DLBZAZTESA-N 1 0 281.355 3.071 40 0 CGABRO O=C(c1ccccc1)c1ccc[n+](Cc2ccccc2)c1 ZINC000001585439 368420940 /nfs/dbraw/zinc/42/09/40/368420940.db2.gz DQIWNXIVGXMILQ-UHFFFAOYSA-N 1 0 274.343 3.253 40 0 CGABRO O=C(CC[NH+]1C[C@@H]2CC=CC[C@H]2C1)c1ccccc1 ZINC000001677252 368429921 /nfs/dbraw/zinc/42/99/21/368429921.db2.gz QILOOQAJTKONQY-HOTGVXAUSA-N 1 0 255.361 3.157 40 0 CGABRO Cc1ccc2oc(C(=O)O[C@H](C)[C@@H](C)C[NH+](C)C)cc2c1 ZINC000004610642 368552745 /nfs/dbraw/zinc/55/27/45/368552745.db2.gz QXYDVBRXVKOZGO-QWHCGFSZSA-N 1 0 289.375 3.484 40 0 CGABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000012170016 368605245 /nfs/dbraw/zinc/60/52/45/368605245.db2.gz LIIZJBOIYSYKOB-UMVBOHGHSA-N 1 0 297.826 3.058 40 0 CGABRO Cc1cc2ccccc2c[n+]1C[C@H](O)c1ccccc1 ZINC000016891795 368722937 /nfs/dbraw/zinc/72/29/37/368722937.db2.gz MHFRQQNCOXACHO-SFHVURJKSA-N 1 0 264.348 3.169 40 0 CGABRO Cc1ccc2[nH]c(=O)c(C[NH2+]CCc3ccccc3)cc2c1 ZINC000013999248 368672066 /nfs/dbraw/zinc/67/20/66/368672066.db2.gz PCJWAPUFITUSQD-UHFFFAOYSA-N 1 0 292.382 3.169 40 0 CGABRO Cc1ccsc1C[N@H+](CCCO)Cc1ccccc1 ZINC000013997285 368673092 /nfs/dbraw/zinc/67/30/92/368673092.db2.gz CWWADVRQBIPQBL-UHFFFAOYSA-N 1 0 275.417 3.441 40 0 CGABRO C[N@H+](CCC(=O)c1cccs1)Cc1ccccc1 ZINC000034429355 368973736 /nfs/dbraw/zinc/97/37/36/368973736.db2.gz ZFHDLFSAKBZORM-UHFFFAOYSA-N 1 0 259.374 3.453 40 0 CGABRO c1ccc(-c2ccc(OCCN3CCC[NH2+]CC3)cc2)cc1 ZINC000041486717 369188382 /nfs/dbraw/zinc/18/83/82/369188382.db2.gz AIVHSJQHDBZKQF-UHFFFAOYSA-N 1 0 296.414 3.028 40 0 CGABRO Cc1ccc(C(=O)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000046882660 369298557 /nfs/dbraw/zinc/29/85/57/369298557.db2.gz RAZDSFRUKHELOH-GASCZTMLSA-N 1 0 288.435 3.011 40 0 CGABRO CC(C)(C)OC(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC000067801235 369730607 /nfs/dbraw/zinc/73/06/07/369730607.db2.gz LITYUKFSSBJUID-UHFFFAOYSA-N 1 0 282.428 3.023 40 0 CGABRO C[NH2+][C@@H]1CCCC[C@H]1N(Cc1ccccc1)C1CC1 ZINC000079438031 369968641 /nfs/dbraw/zinc/96/86/41/369968641.db2.gz GBXVGBWCLZSMGO-IAGOWNOFSA-N 1 0 258.409 3.182 40 0 CGABRO [NH3+]Cc1cnc(-c2ccc(F)cc2)cc1C(F)(F)F ZINC000089263249 370040954 /nfs/dbraw/zinc/04/09/54/370040954.db2.gz TWJRYMXTNXBPGF-UHFFFAOYSA-N 1 0 270.229 3.365 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 ZINC000257205186 190011827 /nfs/dbraw/zinc/01/18/27/190011827.db2.gz AXZWYDLZJOOKQA-OAHLLOKOSA-N 1 0 284.407 3.135 40 0 CGABRO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3cncs3)C2)cn1 ZINC000257219856 190013736 /nfs/dbraw/zinc/01/37/36/190013736.db2.gz DIMMPKKAKVQICF-HNNXBMFYSA-N 1 0 287.432 3.301 40 0 CGABRO Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000257288958 190027722 /nfs/dbraw/zinc/02/77/22/190027722.db2.gz PWKPWUJUQXHBHR-ZDUSSCGKSA-N 1 0 275.421 3.088 40 0 CGABRO Cc1c[nH]c([C@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000257295726 190028517 /nfs/dbraw/zinc/02/85/17/190028517.db2.gz QZPRFNUKBRPVRT-OAHLLOKOSA-N 1 0 255.365 3.098 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H](c2cccc(-c3cc[nH]n3)n2)C1 ZINC000257299791 190029473 /nfs/dbraw/zinc/02/94/73/190029473.db2.gz RRPQTNPTBZYCDR-ZDUSSCGKSA-N 1 0 270.380 3.060 40 0 CGABRO Cc1cnc([C@H]2CCC[N@H+](Cc3ccccn3)C2)s1 ZINC000257342598 190037025 /nfs/dbraw/zinc/03/70/25/190037025.db2.gz ZPKKEGREWPFYSF-ZDUSSCGKSA-N 1 0 273.405 3.226 40 0 CGABRO COCC[NH2+]Cc1cc(C)n(Cc2ccc(C)cc2)c1C ZINC000223663594 376258627 /nfs/dbraw/zinc/25/86/27/376258627.db2.gz MKWNIBVISBJEBH-UHFFFAOYSA-N 1 0 286.419 3.198 40 0 CGABRO CC[C@H](C)Oc1cccc([C@@H](C)[NH2+]CCOC)c1 ZINC000225166458 376296991 /nfs/dbraw/zinc/29/69/91/376296991.db2.gz WGJOCJASYBSMEE-QWHCGFSZSA-N 1 0 251.370 3.161 40 0 CGABRO c1csc(CN2Cc3nccn3C[C@H]2c2ccccc2)n1 ZINC000257317156 377796590 /nfs/dbraw/zinc/79/65/90/377796590.db2.gz VIPFJSAFDAYVOX-AWEZNQCLSA-N 1 0 296.399 3.097 40 0 CGABRO CC(C)c1ccc(OCc2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1 ZINC000257344689 377796678 /nfs/dbraw/zinc/79/66/78/377796678.db2.gz ZYHOOOLIOXIEED-AWEZNQCLSA-N 1 0 285.391 3.189 40 0 CGABRO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[NH2+]C1CCCC1 ZINC000004320508 184531552 /nfs/dbraw/zinc/53/15/52/184531552.db2.gz HHPXYCVBIPXNRJ-IIVZCXTMSA-N 1 0 295.467 3.111 40 0 CGABRO OC[C@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCCC1 ZINC000070453341 285288905 /nfs/dbraw/zinc/28/89/05/285288905.db2.gz OHAYPGBGCOEMSY-LJQANCHMSA-N 1 0 297.398 3.395 40 0 CGABRO [NH3+]CCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000070453078 392183389 /nfs/dbraw/zinc/18/33/89/392183389.db2.gz QONAEQSEIDBHOE-UHFFFAOYSA-N 1 0 255.239 3.467 40 0 CGABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N(CC)CC ZINC000072212897 392198584 /nfs/dbraw/zinc/19/85/84/392198584.db2.gz YQUSGMJNBUFRLP-OAHLLOKOSA-N 1 0 261.413 3.475 40 0 CGABRO CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072214390 392199171 /nfs/dbraw/zinc/19/91/71/392199171.db2.gz YQSRSSHVZQTPSI-LBPRGKRZSA-N 1 0 277.368 3.243 40 0 CGABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215924 392199221 /nfs/dbraw/zinc/19/92/21/392199221.db2.gz UYIADHNZQDJRPI-HNNXBMFYSA-N 1 0 259.397 3.229 40 0 CGABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1N1CCCCC1 ZINC000072222467 392201469 /nfs/dbraw/zinc/20/14/69/392201469.db2.gz UTJPDTDSUHGAEG-QGZVFWFLSA-N 1 0 281.403 3.428 40 0 CGABRO CC[C@H]([NH3+])c1cnc(N(C)Cc2ccccc2)cc1C ZINC000072223403 392203000 /nfs/dbraw/zinc/20/30/00/392203000.db2.gz AQPIPTCPTGWZQQ-INIZCTEOSA-N 1 0 269.392 3.436 40 0 CGABRO CC(C)n1c2c(n3cc(-c4ccc(F)cc4)nc31)C[NH2+]CC2 ZINC000306125305 392635647 /nfs/dbraw/zinc/63/56/47/392635647.db2.gz CMDDHCIBVVXPNA-UHFFFAOYSA-N 1 0 298.365 3.169 40 0 CGABRO c1cnc2ccc(CC3CC[NH+]([C@H]4CCOC4)CC3)cc2c1 ZINC000257268255 285551852 /nfs/dbraw/zinc/55/18/52/285551852.db2.gz MKWGZTJJDJBMRT-SFHVURJKSA-N 1 0 296.414 3.278 40 0 CGABRO CC(C)(C)OC(=O)N1CCC([C@H]([NH3+])C(C)(C)C)CC1 ZINC000072208677 397640149 /nfs/dbraw/zinc/64/01/49/397640149.db2.gz PBOKPZWQAQGXMJ-LBPRGKRZSA-N 1 0 270.417 3.007 40 0 CGABRO CCOC(=O)C[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000072210306 397640552 /nfs/dbraw/zinc/64/05/52/397640552.db2.gz YUDXVGNKPVNGOS-INIZCTEOSA-N 1 0 291.391 3.175 40 0 CGABRO CCn1nc(C)c(C[NH2+]Cc2cc(C)oc2C)c1C ZINC000085395755 397641318 /nfs/dbraw/zinc/64/13/18/397641318.db2.gz UFEMPRPTYZMDHS-UHFFFAOYSA-N 1 0 261.369 3.019 40 0 CGABRO O=C(C[NH2+]C12CC3CC(CC(C3)C1)C2)c1ccc(O)cc1 ZINC000004771396 170014420 /nfs/dbraw/zinc/01/44/20/170014420.db2.gz KWVDWPSBEAYIIH-UHFFFAOYSA-N 1 0 285.387 3.133 40 0 CGABRO C[C@H](CCC[NH3+])Nc1ccnc2cc(Cl)ccc21 ZINC000006036375 170170410 /nfs/dbraw/zinc/17/04/10/170170410.db2.gz GYEDIFVVTRKXHP-SNVBAGLBSA-N 1 0 263.772 3.428 40 0 in-vitro CGABRO Cc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1C ZINC000007781916 170302128 /nfs/dbraw/zinc/30/21/28/170302128.db2.gz RCKVXJZKGKFJIV-UHFFFAOYSA-N 1 0 260.381 3.118 40 0 CGABRO Cc1cc(NCCCCCC[NH3+])nc(-c2ccccc2)n1 ZINC000008731082 170351176 /nfs/dbraw/zinc/35/11/76/170351176.db2.gz KMYNTNSYGAEUKE-UHFFFAOYSA-N 1 0 284.407 3.383 40 0 CGABRO S=C(NCCC[NH+]1CCCC1)Nc1ccccc1Cl ZINC000018168462 170744749 /nfs/dbraw/zinc/74/47/49/170744749.db2.gz YSXSFHFUOMGQPY-UHFFFAOYSA-N 1 0 297.855 3.112 40 0 CGABRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+]Cc1cccs1 ZINC000035313651 172122739 /nfs/dbraw/zinc/12/27/39/172122739.db2.gz GONSWWFMXNSHTP-CYBMUJFWSA-N 1 0 288.416 3.482 40 0 CGABRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC000047219126 175405448 /nfs/dbraw/zinc/40/54/48/175405448.db2.gz ZACBLEWJXRHYNE-NSHDSACASA-N 1 0 283.799 3.407 40 0 CGABRO Clc1ccc(Cl)c(COC2CC[NH2+]CC2)c1 ZINC000072203610 176341622 /nfs/dbraw/zinc/34/16/22/176341622.db2.gz OYWUBRIYFWRGTM-UHFFFAOYSA-N 1 0 260.164 3.262 40 0 CGABRO COc1ccccc1-c1nccnc1C[C@@H]1CCC[NH2+]CC1 ZINC000072365107 176380225 /nfs/dbraw/zinc/38/02/25/176380225.db2.gz SNVLCEFNWMRRGK-CQSZACIVSA-N 1 0 297.402 3.084 40 0 CGABRO Cc1cc(C2CC[NH+](Cc3cccnc3)CC2)ccn1 ZINC000072366676 176382004 /nfs/dbraw/zinc/38/20/04/176382004.db2.gz HZNUEXDYRMSQPZ-UHFFFAOYSA-N 1 0 267.376 3.165 40 0 CGABRO c1cc(C[NH+]2CCC(c3ccc4c(c3)OCO4)CC2)ccn1 ZINC000072373476 176384858 /nfs/dbraw/zinc/38/48/58/176384858.db2.gz FWNYFQQFEVFMLF-UHFFFAOYSA-N 1 0 296.370 3.190 40 0 CGABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C)C2)c1 ZINC000072385060 176389471 /nfs/dbraw/zinc/38/94/71/176389471.db2.gz KPPRRBMPRNNKNT-OAHLLOKOSA-N 1 0 285.391 3.106 40 0 CGABRO Fc1ccccc1-c1cc([C@H]2CCC[NH2+]C2)ccn1 ZINC000072386784 176392189 /nfs/dbraw/zinc/39/21/89/176392189.db2.gz JBUXDKSAFRXOGZ-ZDUSSCGKSA-N 1 0 256.324 3.355 40 0 CGABRO CCC[C@H]1[NH2+]C(C)(C)Cc2cc(OC)c(OC)cc21 ZINC000005672015 276050934 /nfs/dbraw/zinc/05/09/34/276050934.db2.gz OFBIXPAGUPLXSA-CYBMUJFWSA-N 1 0 263.381 3.469 40 0 CGABRO CCOC[C@H]1COCCC12CC[NH+](C1CCCC1)CC2 ZINC000096106431 276334326 /nfs/dbraw/zinc/33/43/26/276334326.db2.gz JATYURHKFGLGQE-HNNXBMFYSA-N 1 0 281.440 3.084 40 0 CGABRO CCOc1cc2c(cc1OC)CC[NH2+][C@@H]2CC(C)C ZINC000003847332 276371529 /nfs/dbraw/zinc/37/15/29/276371529.db2.gz XFEQMTJELUMNLP-CQSZACIVSA-N 1 0 263.381 3.327 40 0 CGABRO CC[NH+](CC)C[C@H](c1ccccc1)C1(O)CCCC1 ZINC000001670711 279133405 /nfs/dbraw/zinc/13/34/05/279133405.db2.gz UFKHLLCLDJJKGU-MRXNPFEDSA-N 1 0 261.409 3.417 40 0 CGABRO FC(F)(F)c1cccc(N2CC[NH2+][C@@H]3CCC[C@@H]32)c1 ZINC000225716695 333182090 /nfs/dbraw/zinc/18/20/90/333182090.db2.gz GKJNKERRBRVGGS-OLZOCXBDSA-N 1 0 270.298 3.036 40 0 CGABRO COc1cc(C=O)ccc1OCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000217789332 533720623 /nfs/dbraw/zinc/72/06/23/533720623.db2.gz BGJXXLPIECDXQG-ZIAGYGMSSA-N 1 0 291.391 3.149 40 0 CGABRO CC(C)[C@@H]1COC2(C1)CC[NH+](Cc1ccncc1F)CC2 ZINC000096072971 185088091 /nfs/dbraw/zinc/08/80/91/185088091.db2.gz CLNPOIXXVKSDCH-HNNXBMFYSA-N 1 0 292.398 3.248 40 0 CGABRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccncc2)cc1 ZINC000078719455 345620148 /nfs/dbraw/zinc/62/01/48/345620148.db2.gz SCWQZZYVNQIZBK-QGZVFWFLSA-N 1 0 268.360 3.427 40 0 CGABRO CC[C@H](OC[C@H](O)C[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000248089026 346373792 /nfs/dbraw/zinc/37/37/92/346373792.db2.gz KZUCROJGSXJBCA-NXHRZFHOSA-N 1 0 291.435 3.390 40 0 CGABRO COCC[C@H]1CCOC12CC[NH+](Cc1ccccc1)CC2 ZINC000585102772 346724387 /nfs/dbraw/zinc/72/43/87/346724387.db2.gz HAHYMDUTSCDHRS-KRWDZBQOSA-N 1 0 289.419 3.094 40 0 CGABRO [NH3+][C@@H](CCc1ccccc1)c1cnc2ccccc2n1 ZINC000090587215 180009469 /nfs/dbraw/zinc/00/94/69/180009469.db2.gz KQHRPSMMQKDCBB-AWEZNQCLSA-N 1 0 263.344 3.262 40 0 CGABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1Br ZINC000072211613 283342773 /nfs/dbraw/zinc/34/27/73/283342773.db2.gz HUSNGTIBVQWWPN-NSHDSACASA-N 1 0 269.186 3.391 40 0 CGABRO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccccc1Br ZINC000218859400 376191621 /nfs/dbraw/zinc/19/16/21/376191621.db2.gz XDJVHLGILBAFGM-PWSUYJOCSA-N 1 0 269.186 3.131 40 0 CGABRO COc1ccc(C(=O)CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000001615859 368423655 /nfs/dbraw/zinc/42/36/55/368423655.db2.gz CAOZXOQIYGOHTD-GJZGRUSLSA-N 1 0 287.403 3.390 40 0 CGABRO O=C(CC[NH+]1CC2CCC(CC2)C1)c1cccs1 ZINC000001615885 368423949 /nfs/dbraw/zinc/42/39/49/368423949.db2.gz MDTUYJDHQSNGOY-UHFFFAOYSA-N 1 0 263.406 3.443 40 0 in-vitro CGABRO C[NH+](C)CCOc1ccc(Cc2ccccc2)cc1 ZINC000001700048 368433188 /nfs/dbraw/zinc/43/31/88/368433188.db2.gz BVGZXBZXUWTJHR-UHFFFAOYSA-N 1 0 255.361 3.218 40 0 CGABRO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000002694450 368472228 /nfs/dbraw/zinc/47/22/28/368472228.db2.gz KCXDJIWVKTZZAH-HUUCEWRRSA-N 1 0 277.408 3.036 40 0 CGABRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000002736475 368473706 /nfs/dbraw/zinc/47/37/06/368473706.db2.gz ZCGDZNKSCOCGDN-GXTWGEPZSA-N 1 0 293.407 3.381 40 0 CGABRO Cc1c2ccccc2oc1C(=O)O[C@H](C)[C@H](C)C[NH+](C)C ZINC000003066413 368489854 /nfs/dbraw/zinc/48/98/54/368489854.db2.gz RJPLRBLTTQHUCK-DGCLKSJQSA-N 1 0 289.375 3.484 40 0 CGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1 ZINC000010542999 368583398 /nfs/dbraw/zinc/58/33/98/368583398.db2.gz OVMHHRYYDZAXDD-MRXNPFEDSA-N 1 0 274.408 3.071 40 0 CGABRO Fc1cccc(-c2cc3nccc([C@H]4CCC[NH2+]C4)n3n2)c1 ZINC000012154362 368605450 /nfs/dbraw/zinc/60/54/50/368605450.db2.gz QKHSYOOGFLELNC-ZDUSSCGKSA-N 1 0 296.349 3.002 40 0 CGABRO Fc1ccc(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000019334202 368747749 /nfs/dbraw/zinc/74/77/49/368747749.db2.gz RLCAIGMCELUNNC-JZXOWHBKSA-N 1 0 288.410 3.132 40 0 CGABRO CCCC[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000019906916 368779954 /nfs/dbraw/zinc/77/99/54/368779954.db2.gz YPIVUYVWPOLTFR-UHFFFAOYSA-N 1 0 288.185 3.053 40 0 CGABRO c1c(-c2ccccc2)n2c([n+]1-c1ccccc1)CCC2 ZINC000027788780 368875415 /nfs/dbraw/zinc/87/54/15/368875415.db2.gz PPCJQNZLVWPFTO-UHFFFAOYSA-N 1 0 261.348 3.378 40 0 CGABRO CCN(CC)C(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000030757032 368905625 /nfs/dbraw/zinc/90/56/25/368905625.db2.gz XDNQAJCJECXHDJ-HNNXBMFYSA-N 1 0 288.435 3.401 40 0 CGABRO Cc1ccc(-c2ccc(C[NH3+])o2)c(Br)c1 ZINC000036666810 369024237 /nfs/dbraw/zinc/02/42/37/369024237.db2.gz QNVAZXNWJBITEX-UHFFFAOYSA-N 1 0 266.138 3.476 40 0 CGABRO C[C@@H](C[NH2+]C1CCCCCC1)C(=O)OC(C)(C)C ZINC000047219134 369310185 /nfs/dbraw/zinc/31/01/85/369310185.db2.gz CYRQMZITJPVHRA-LBPRGKRZSA-N 1 0 255.402 3.277 40 0 CGABRO CC(C)c1nc2ccccc2n1C[C@@H]1CCC[NH2+]C1 ZINC000057865705 369548753 /nfs/dbraw/zinc/54/87/53/369548753.db2.gz LAGSQRQTNCLSRH-CYBMUJFWSA-N 1 0 257.381 3.159 40 0 CGABRO [NH3+]CC[C@@H](O)c1cccc(OCC2CCCCC2)c1 ZINC000059126886 369578114 /nfs/dbraw/zinc/57/81/14/369578114.db2.gz WJIGGYYSZBWCGC-MRXNPFEDSA-N 1 0 263.381 3.028 40 0 investigational CGABRO Fc1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)cc1 ZINC000062718644 369630162 /nfs/dbraw/zinc/63/01/62/369630162.db2.gz ONAQIDSYPURAQG-UHFFFAOYSA-N 1 0 283.350 3.424 40 0 CGABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N(C)C)nc1 ZINC000072212618 369815115 /nfs/dbraw/zinc/81/51/15/369815115.db2.gz FKYPKCQXOLSMPQ-OAHLLOKOSA-N 1 0 261.413 3.331 40 0 CGABRO C[NH+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096058307 370203377 /nfs/dbraw/zinc/20/33/77/370203377.db2.gz DHCBSTHURSWVMT-BZSNNMDCSA-N 1 0 282.387 3.112 40 0 CGABRO Cc1cccc2c1nc1n2[C@@H](C[NH2+]C2CCCCC2)COC1 ZINC000096112642 370204697 /nfs/dbraw/zinc/20/46/97/370204697.db2.gz KJBRUDDVRPFNFQ-HNNXBMFYSA-N 1 0 299.418 3.338 40 0 biogenic,in-vitro CGABRO C[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000498036777 375618300 /nfs/dbraw/zinc/61/83/00/375618300.db2.gz XVJLCYMKPXERHP-UHFFFAOYSA-N 1 0 282.428 3.166 40 0 CGABRO CC(C)[NH+]1CCC(c2ccnc(Nc3cnccn3)c2)CC1 ZINC000257208921 190012182 /nfs/dbraw/zinc/01/21/82/190012182.db2.gz BOBQVMVPPVGXHV-UHFFFAOYSA-N 1 0 297.406 3.203 40 0 CGABRO C[N@@H+]1CC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257232453 190016657 /nfs/dbraw/zinc/01/66/57/190016657.db2.gz GKXJGAULUOJUKA-LBPRGKRZSA-N 1 0 276.767 3.338 40 0 CGABRO Cc1cccc(C[C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257221297 190014781 /nfs/dbraw/zinc/01/47/81/190014781.db2.gz DOJDQTRCTMPWBM-MRXNPFEDSA-N 1 0 281.403 3.240 40 0 CGABRO Cc1ccc(C[N@@H+]2CC[C@@H](c3nccc(C)n3)C2)s1 ZINC000257241833 190018734 /nfs/dbraw/zinc/01/87/34/190018734.db2.gz HZUHHDVVAYMYNM-CYBMUJFWSA-N 1 0 273.405 3.144 40 0 CGABRO CC(C)[NH+]1CCC(Cc2ccnc(-c3ccnn3C)c2)CC1 ZINC000257266002 190023379 /nfs/dbraw/zinc/02/33/79/190023379.db2.gz MBEQXEWQUAILMC-UHFFFAOYSA-N 1 0 298.434 3.145 40 0 CGABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3c[nH]c4ccccc34)C2)n1 ZINC000257293208 190028554 /nfs/dbraw/zinc/02/85/54/190028554.db2.gz QOOCJXAJCUQIQV-ZDUSSCGKSA-N 1 0 280.375 3.189 40 0 CGABRO CC(C)C[C@H]1[NH2+]CCC[C@H]1Nc1cccc(F)c1 ZINC000257333183 190035633 /nfs/dbraw/zinc/03/56/33/190035633.db2.gz YANPCRPYMCAVIR-HUUCEWRRSA-N 1 0 250.361 3.404 40 0 CGABRO c1cn2c(cccc2[C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000257332415 190035860 /nfs/dbraw/zinc/03/58/60/190035860.db2.gz XXGIMBMTOMHWAF-HNNXBMFYSA-N 1 0 278.359 3.066 40 0 CGABRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC000217782569 376179242 /nfs/dbraw/zinc/17/92/42/376179242.db2.gz CQXSLHLPNXBOTN-ZFWWWQNUSA-N 1 0 290.407 3.252 40 0 CGABRO CCCOc1cccc([C@@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000225167215 376296729 /nfs/dbraw/zinc/29/67/29/376296729.db2.gz WXAFJFPTBGVTKM-CZUORRHYSA-N 1 0 263.381 3.305 40 0 CGABRO O=C1C[C@@H]([C@@H]2CCC[NH2+]C2)Oc2ccc3ccccc3c21 ZINC000013567018 284835235 /nfs/dbraw/zinc/83/52/35/284835235.db2.gz ISJDIJKPQDJCDQ-DYVFJYSZSA-N 1 0 281.355 3.173 40 0 CGABRO CC[C@@H]([NH3+])c1ccc(N(C)Cc2ccccc2)nc1 ZINC000072225376 256704059 /nfs/dbraw/zinc/70/40/59/256704059.db2.gz GZXICPGQCQKZQB-OAHLLOKOSA-N 1 0 255.365 3.128 40 0 CGABRO Cc1cc(N2CCCC2)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223484 256704830 /nfs/dbraw/zinc/70/48/30/256704830.db2.gz UAAKTNZTYWRAFS-KRWDZBQOSA-N 1 0 267.376 3.038 40 0 CGABRO [NH3+][C@@H](COCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000020264022 391940102 /nfs/dbraw/zinc/94/01/02/391940102.db2.gz IDPUFXPEPXQSEY-LBPRGKRZSA-N 1 0 259.271 3.132 40 0 CGABRO c1ccc(COc2ccc([C@H]3CCC[NH2+]3)cn2)cc1 ZINC000072212002 392197709 /nfs/dbraw/zinc/19/77/09/392197709.db2.gz DFAFOPUJPSTLNF-OAHLLOKOSA-N 1 0 254.333 3.085 40 0 CGABRO CC[C@H]([NH3+])c1ccc(OCc2ccccc2)nc1C ZINC000072224472 392204434 /nfs/dbraw/zinc/20/44/34/392204434.db2.gz MCQOFOBQLCEVTP-HNNXBMFYSA-N 1 0 256.349 3.379 40 0 CGABRO [NH3+][C@H]1CCCC[C@H]1Nc1ccc(Br)cc1 ZINC000218682216 392997534 /nfs/dbraw/zinc/99/75/34/392997534.db2.gz LGWGIPOIUMTYIC-NWDGAFQWSA-N 1 0 269.186 3.131 40 0 CGABRO CCc1cc2c(nc(C)nc2NCC[NH+](CC)CC)s1 ZINC000005017365 170056132 /nfs/dbraw/zinc/05/61/32/170056132.db2.gz ZDJVGHRCYVUTQA-UHFFFAOYSA-N 1 0 292.452 3.316 40 0 CGABRO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000006008997 170167731 /nfs/dbraw/zinc/16/77/31/170167731.db2.gz DLZMVAOOHDIQFA-KRWDZBQOSA-N 1 0 291.435 3.308 40 0 CGABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCCCC1 ZINC000006617321 170219463 /nfs/dbraw/zinc/21/94/63/170219463.db2.gz OHDMBSYWCBGUMT-BVIKNXMNSA-N 1 0 295.467 3.065 40 0 CGABRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(C=O)cc1 ZINC000008731549 170351007 /nfs/dbraw/zinc/35/10/07/170351007.db2.gz IZKQVCMKTOGYCT-CQSZACIVSA-N 1 0 261.365 3.142 40 0 CGABRO CCCOc1ccc([C@@H](C)[NH2+]CCCOC)cc1 ZINC000020142611 171028426 /nfs/dbraw/zinc/02/84/26/171028426.db2.gz ROVUFQJLAOHGGD-CYBMUJFWSA-N 1 0 251.370 3.163 40 0 CGABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1Cl ZINC000072324447 176369820 /nfs/dbraw/zinc/36/98/20/176369820.db2.gz NRHQMUAHRORING-JSGCOSHPSA-N 1 0 264.800 3.009 40 0 CGABRO C[N@@H+]1CCC[C@@H](c2cccc(-c3ccc(CO)cc3)n2)C1 ZINC000072343509 176372272 /nfs/dbraw/zinc/37/22/72/176372272.db2.gz NHILNWYNNDOWCY-MRXNPFEDSA-N 1 0 282.387 3.050 40 0 CGABRO Cc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000072358358 176375952 /nfs/dbraw/zinc/37/59/52/176375952.db2.gz RYBIMNTZYSXCTF-OAHLLOKOSA-N 1 0 267.376 3.261 40 0 CGABRO C[NH+]1CCC(c2ccc(-c3ccc(CO)cc3)cn2)CC1 ZINC000072365259 176380344 /nfs/dbraw/zinc/38/03/44/176380344.db2.gz JMFFYHGNTUSPDS-UHFFFAOYSA-N 1 0 282.387 3.050 40 0 CGABRO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@@H+](C)C3)n2)n1 ZINC000072375909 176385001 /nfs/dbraw/zinc/38/50/01/176385001.db2.gz WIESMBFPPKAWRE-CQSZACIVSA-N 1 0 297.406 3.041 40 0 CGABRO Cc1cnc2[nH]c(C3CC3)c(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000072395254 176394615 /nfs/dbraw/zinc/39/46/15/176394615.db2.gz YELIVSFTZAXCKE-STQMWFEESA-N 1 0 299.418 3.358 40 0 CGABRO CCCCNC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039766980 260133982 /nfs/dbraw/zinc/13/39/82/260133982.db2.gz DODNVAVPZXMWDC-UHFFFAOYSA-N 1 0 288.435 3.123 40 0 CGABRO Cc1ccc([C@@H]2SC(=[NH2+])N[C@H]2[C@H](O)c2ccccc2)cc1 ZINC000059500964 262390219 /nfs/dbraw/zinc/39/02/19/262390219.db2.gz ILDUQMPCSDTLHJ-XHSDSOJGSA-N 1 0 298.411 3.200 40 0 CGABRO Brc1ccc2[nH]c([C@H]3CCCC[NH2+]3)nc2c1 ZINC000037441238 275370008 /nfs/dbraw/zinc/37/00/08/275370008.db2.gz IJBISQGUDCIZBL-SNVBAGLBSA-N 1 0 280.169 3.140 40 0 CGABRO Cc1cc([C@H](C)[NH3+])cnc1N1CCCc2ccccc21 ZINC000072222879 280648967 /nfs/dbraw/zinc/64/89/67/280648967.db2.gz GANKOARQJAFJSE-ZDUSSCGKSA-N 1 0 267.376 3.494 40 0 CGABRO CC(C)(C)c1ccc(N2CC[NH2+][C@@H]3CCC[C@H]32)cc1 ZINC000218849163 333137249 /nfs/dbraw/zinc/13/72/49/333137249.db2.gz ZGVQOVYPQWCIRI-HZPDHXFCSA-N 1 0 258.409 3.315 40 0 CGABRO Brc1cc(C[NH2+]Cc2ccccc2)ccn1 ZINC000199827073 333209225 /nfs/dbraw/zinc/20/92/25/333209225.db2.gz FBWJXPZSNUQNRZ-UHFFFAOYSA-N 1 0 277.165 3.134 40 0 CGABRO CCCCn1c2ccc(Cl)cc2nc1CCC[NH3+] ZINC000064874473 521372640 /nfs/dbraw/zinc/37/26/40/521372640.db2.gz QHKVJVAAWCGEBM-UHFFFAOYSA-N 1 0 265.788 3.381 40 0 CGABRO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000367704557 527533925 /nfs/dbraw/zinc/53/39/25/527533925.db2.gz OXLUPQOMIPTFBA-VMEIHUARSA-N 1 0 281.403 3.313 40 0 CGABRO [NH3+][C@H](Cc1ccccc1)c1nc(-c2ccccc2Cl)n[nH]1 ZINC000095534887 185008160 /nfs/dbraw/zinc/00/81/60/185008160.db2.gz UTWBMNVLUGKJFA-CQSZACIVSA-N 1 0 298.777 3.368 40 0 CGABRO Cc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC(C)C)s1 ZINC000096055775 185076067 /nfs/dbraw/zinc/07/60/67/185076067.db2.gz MGCJMHSOTKRDER-JKSUJKDBSA-N 1 0 278.465 3.361 40 0 CGABRO CCc1ccc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000005961856 344863648 /nfs/dbraw/zinc/86/36/48/344863648.db2.gz VMDAXPFTCFMPFN-BFYDXBDKSA-N 1 0 291.435 3.252 40 0 CGABRO CC[C@H](OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000248089021 346373729 /nfs/dbraw/zinc/37/37/29/346373729.db2.gz KZUCROJGSXJBCA-NJAFHUGGSA-N 1 0 291.435 3.390 40 0 CGABRO COCC[C@@H]1CCOC12CC[NH+](Cc1cccs1)CC2 ZINC000585103447 346724684 /nfs/dbraw/zinc/72/46/84/346724684.db2.gz WIUJSUYTNFFUGX-CQSZACIVSA-N 1 0 295.448 3.156 40 0 CGABRO CC[NH+](CC)CCCNc1cccc2ccncc21 ZINC000001621250 368425472 /nfs/dbraw/zinc/42/54/72/368425472.db2.gz GMNVYFWKSJDDNZ-UHFFFAOYSA-N 1 0 257.381 3.379 40 0 CGABRO CC[NH+](CC)CCCNc1cnnc2cc(Cl)ccc21 ZINC000001621246 368425573 /nfs/dbraw/zinc/42/55/73/368425573.db2.gz SOIMJVYXIAHAEG-UHFFFAOYSA-N 1 0 292.814 3.427 40 0 CGABRO CCc1ccc[n+](CC[C@H]2CNc3ccccc32)c1 ZINC000001577762 368420483 /nfs/dbraw/zinc/42/04/83/368420483.db2.gz KDYWGFDFVVEVBZ-HNNXBMFYSA-N 1 0 253.369 3.136 40 0 CGABRO Cc1ccccc1C[n+]1ccccc1Br ZINC000001579171 368421235 /nfs/dbraw/zinc/42/12/35/368421235.db2.gz QDOHJJWIYRKLPJ-UHFFFAOYSA-N 1 0 263.158 3.093 40 0 CGABRO Cc1cc[n+](CCc2c[nH]c3ccccc23)cc1C ZINC000001577763 368421269 /nfs/dbraw/zinc/42/12/69/368421269.db2.gz UDBPMCRUZSBJKF-UHFFFAOYSA-N 1 0 251.353 3.315 40 0 CGABRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+]CC(C)C ZINC000001672757 368430441 /nfs/dbraw/zinc/43/04/41/368430441.db2.gz HAACJDGALSSNNZ-NSHDSACASA-N 1 0 268.788 3.221 40 0 CGABRO c1ccc(CCN2CC[NH+]=C2Cc2ccccc2)cc1 ZINC000001681365 368431678 /nfs/dbraw/zinc/43/16/78/368431678.db2.gz BIUCVTHDWQJWSF-UHFFFAOYSA-N 1 0 264.372 3.186 40 0 in-vitro CGABRO Oc1ccc(CC[NH2+]Cc2ccc3[nH]ccc3c2)cc1 ZINC000015424212 368694628 /nfs/dbraw/zinc/69/46/28/368694628.db2.gz MTRMHHBVTREZBU-UHFFFAOYSA-N 1 0 266.344 3.206 40 0 CGABRO COc1ccccc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000015423477 368695286 /nfs/dbraw/zinc/69/52/86/368695286.db2.gz OOCXVBLAEGSDGZ-UHFFFAOYSA-N 1 0 266.344 3.466 40 0 CGABRO O=C(Nc1ccc2ccccc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932040 368878000 /nfs/dbraw/zinc/87/80/00/368878000.db2.gz ISFWKBLWTSLAJV-QGZVFWFLSA-N 1 0 295.386 3.152 40 0 CGABRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccco1 ZINC000028317145 368884635 /nfs/dbraw/zinc/88/46/35/368884635.db2.gz KZNUZUHUYYRITB-MRXNPFEDSA-N 1 0 298.386 3.237 40 0 CGABRO COc1ccc([C@]2(O)CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000034143464 368972142 /nfs/dbraw/zinc/97/21/42/368972142.db2.gz CNIBEWABPVGSSN-IBGZPJMESA-N 1 0 297.398 3.179 40 0 CGABRO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000046959905 369301333 /nfs/dbraw/zinc/30/13/33/369301333.db2.gz MKNWQEMCMBUTHT-OAHLLOKOSA-N 1 0 288.435 3.155 40 0 CGABRO CC(C)(C)OC(=O)CC[NH2+]C1CCCCCCC1 ZINC000047219010 369310569 /nfs/dbraw/zinc/31/05/69/369310569.db2.gz DUQKKCVNCOKVIT-UHFFFAOYSA-N 1 0 255.402 3.421 40 0 CGABRO COc1ccc(C[NH2+]Cc2ccc(F)s2)cc1OC ZINC000256054301 190005805 /nfs/dbraw/zinc/00/58/05/190005805.db2.gz VURIWVYBEQMVHY-UHFFFAOYSA-N 1 0 281.352 3.194 40 0 CGABRO Clc1cccc(-c2nccc([C@H]3CCC[NH2+]3)n2)c1 ZINC000257197720 190010129 /nfs/dbraw/zinc/01/01/29/190010129.db2.gz HIHVNCJKJRHQDC-GFCCVEGCSA-N 1 0 259.740 3.222 40 0 CGABRO Cc1cnc(-c2cc(C)nc([C@H]3CCCC[NH2+]3)n2)s1 ZINC000257280649 190025521 /nfs/dbraw/zinc/02/55/21/190025521.db2.gz OLSNZYMQWQNKDX-LLVKDONJSA-N 1 0 274.393 3.032 40 0 CGABRO Cc1ccsc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257312975 190032268 /nfs/dbraw/zinc/03/22/68/190032268.db2.gz UQLZDIIIJHOBSP-ZDUSSCGKSA-N 1 0 273.405 3.226 40 0 CGABRO COc1ccc(-c2nccnc2C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000257320634 190033556 /nfs/dbraw/zinc/03/35/56/190033556.db2.gz VXRFJJSUNITYNV-CQSZACIVSA-N 1 0 297.402 3.084 40 0 CGABRO CCOC(=O)C1(C)CCC([NH2+]Cc2ccccc2)CC1 ZINC000261508849 190040603 /nfs/dbraw/zinc/04/06/03/190040603.db2.gz XOZANGQIOBMEEE-UHFFFAOYSA-N 1 0 275.392 3.288 40 0 CGABRO COCCC[NH2+]Cc1cc(C)n(Cc2ccccc2)c1C ZINC000223661798 376259093 /nfs/dbraw/zinc/25/90/93/376259093.db2.gz ZMFDAXQZUWACAX-UHFFFAOYSA-N 1 0 286.419 3.279 40 0 CGABRO COCCC[NH2+][C@@H](C)c1ccccc1OCC(C)C ZINC000225161558 376297227 /nfs/dbraw/zinc/29/72/27/376297227.db2.gz CQXPHWKUOJNBSB-AWEZNQCLSA-N 1 0 265.397 3.409 40 0 CGABRO CC[n+]1cccc(-c2nc3ccc(F)cc3s2)c1 ZINC000226776611 376373399 /nfs/dbraw/zinc/37/33/99/376373399.db2.gz HLGJGOKQTVBXLE-UHFFFAOYSA-N 1 0 259.329 3.410 40 0 CGABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH2+]C1CCCC1 ZINC000004320489 184531610 /nfs/dbraw/zinc/53/16/10/184531610.db2.gz NNSJFMSDVCESAL-DZOHQFGASA-N 1 0 297.483 3.357 40 0 CGABRO Cc1cc(N2CCCCC2)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223508 256704806 /nfs/dbraw/zinc/70/48/06/256704806.db2.gz FQWFRQZPXNLNGY-SFHVURJKSA-N 1 0 281.403 3.428 40 0 CGABRO Cc1cccc(C[C@H]2C[NH2+]CC[C@H]2OCc2cccnc2)c1 ZINC000096215509 256824912 /nfs/dbraw/zinc/82/49/12/256824912.db2.gz CYCZIFUEJSGBCI-RBUKOAKNSA-N 1 0 296.414 3.127 40 0 CGABRO Cc1cc([C@H]2CCC[N@H+]2C)cnc1N1CCCCC1 ZINC000072219146 392200232 /nfs/dbraw/zinc/20/02/32/392200232.db2.gz UGSRPJZBSJGSRI-OAHLLOKOSA-N 1 0 259.397 3.147 40 0 CGABRO C[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216057 392200689 /nfs/dbraw/zinc/20/06/89/392200689.db2.gz LJQXCTXRIIGVGZ-HNNXBMFYSA-N 1 0 259.397 3.229 40 0 CGABRO Cc1cc([C@@H](C)[NH3+])cnc1N1CCCc2ccccc21 ZINC000072222878 392203055 /nfs/dbraw/zinc/20/30/55/392203055.db2.gz GANKOARQJAFJSE-CYBMUJFWSA-N 1 0 267.376 3.494 40 0 CGABRO [NH3+][C@@H](c1ccccc1)c1ccc(N2CCCCC2)nc1 ZINC000072225457 392204110 /nfs/dbraw/zinc/20/41/10/392204110.db2.gz HRTMHBLZKHZOPM-KRWDZBQOSA-N 1 0 267.376 3.120 40 0 CGABRO CC(C)C[NH2+][C@@H]1CCN(C)Cc2ccc(Cl)cc21 ZINC000096510458 392257354 /nfs/dbraw/zinc/25/73/54/392257354.db2.gz QPJSORAIVDIMSQ-OAHLLOKOSA-N 1 0 266.816 3.462 40 0 CGABRO CC[C@@H](O)[C@@](CC[NH+](C)C)(c1ccccc1)c1ccccn1 ZINC000001608630 397602765 /nfs/dbraw/zinc/60/27/65/397602765.db2.gz UTGQILSIZRLVAD-MOPGFXCFSA-N 1 0 298.430 3.090 40 0 CGABRO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000006055941 170172643 /nfs/dbraw/zinc/17/26/43/170172643.db2.gz HAOASDQKFXFZSW-QGZVFWFLSA-N 1 0 291.435 3.308 40 0 CGABRO CCCCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000006591901 170217376 /nfs/dbraw/zinc/21/73/76/170217376.db2.gz VLEAVPJPEFBIOL-UHFFFAOYSA-N 1 0 260.381 3.411 40 0 CGABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000008011625 170313777 /nfs/dbraw/zinc/31/37/77/170313777.db2.gz SIIXNHDVKBFRJB-UHFFFAOYSA-N 1 0 294.398 3.212 40 0 CGABRO CCOCCC[NH2+]Cc1ccc(OCC)c(OCC)c1 ZINC000008253181 170327094 /nfs/dbraw/zinc/32/70/94/170327094.db2.gz YFVMPMFORVNMHZ-UHFFFAOYSA-N 1 0 281.396 3.000 40 0 CGABRO Cc1ccc(OCC[C@H](O)C[NH2+]C2CCCCC2)cc1C ZINC000028295326 171555967 /nfs/dbraw/zinc/55/59/67/171555967.db2.gz PHMHTXNYQPWEIU-KRWDZBQOSA-N 1 0 291.435 3.356 40 0 CGABRO CC1(C[NH3+])CN(C(c2ccccc2)c2ccccc2)C1 ZINC000034219727 171835015 /nfs/dbraw/zinc/83/50/15/171835015.db2.gz KTWVMLPQUBNZIM-UHFFFAOYSA-N 1 0 266.388 3.057 40 0 CGABRO CCN(CC)C1=[NH+]C[C@@H](Cc2cccc(C)c2)S1 ZINC000036639829 172644323 /nfs/dbraw/zinc/64/43/23/172644323.db2.gz QAOXYOYXVYSKMX-CQSZACIVSA-N 1 0 262.422 3.351 40 0 CGABRO CC1CCN([C@@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000038809084 174156119 /nfs/dbraw/zinc/15/61/19/174156119.db2.gz NTEWTZJJAKZOHV-AWEZNQCLSA-N 1 0 252.789 3.072 40 0 CGABRO CC(C)(C)OC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000067800803 175792552 /nfs/dbraw/zinc/79/25/52/175792552.db2.gz GEFHIXGROIXMSF-UHFFFAOYSA-N 1 0 282.428 3.166 40 0 CGABRO CC(C)[NH+]1CCC(c2cc(C(F)(F)F)n[nH]2)CC1 ZINC000072348454 176373260 /nfs/dbraw/zinc/37/32/60/176373260.db2.gz INWDTGTZNQWEHK-UHFFFAOYSA-N 1 0 261.291 3.016 40 0 CGABRO COc1ccc(-c2cccc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000072356402 176375659 /nfs/dbraw/zinc/37/56/59/176375659.db2.gz ZGPSRKQUEQDLPY-AWEZNQCLSA-N 1 0 268.360 3.224 40 0 CGABRO C[N@@H+]1CCC[C@H](c2cnc(-c3ccc(F)c(F)c3)cn2)C1 ZINC000072365102 176380214 /nfs/dbraw/zinc/38/02/14/176380214.db2.gz XBXBGNJOTVOKFX-LBPRGKRZSA-N 1 0 289.329 3.231 40 0 CGABRO COc1cccc(-c2cc([C@H]3CCC[NH2+]C3)ccn2)c1 ZINC000072386794 176392124 /nfs/dbraw/zinc/39/21/24/176392124.db2.gz PSKVJZSAUMUWGL-HNNXBMFYSA-N 1 0 268.360 3.224 40 0 CGABRO CC[C@H]([NH3+])c1cnc(N2CCc3ccccc32)cc1C ZINC000072223951 273750543 /nfs/dbraw/zinc/75/05/43/273750543.db2.gz FTVIQNUGSDEGRS-HNNXBMFYSA-N 1 0 267.376 3.494 40 0 CGABRO CO[C@@H]1CC[N@H+](Cc2cccc3ccccc32)[C@H]2CCO[C@@H]21 ZINC000096217444 274064236 /nfs/dbraw/zinc/06/42/36/274064236.db2.gz JZVDREQPBACFHY-OTWHNJEPSA-N 1 0 297.398 3.218 40 0 CGABRO FC(F)(F)c1[nH]c2ncccc2c1C[NH+]1CCCC1 ZINC000019345123 274906195 /nfs/dbraw/zinc/90/61/95/274906195.db2.gz HKNMMXFDPXZFNZ-UHFFFAOYSA-N 1 0 269.270 3.178 40 0 CGABRO [NH3+]C[C@@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000072203773 274947832 /nfs/dbraw/zinc/94/78/32/274947832.db2.gz SWDGRYNBYMKNDM-LBPRGKRZSA-N 1 0 273.207 3.307 40 0 CGABRO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]([NH3+])c1ccccc1 ZINC000072208714 277182868 /nfs/dbraw/zinc/18/28/68/277182868.db2.gz UNGCJHBVTMJSNS-LSDHHAIUSA-N 1 0 290.407 3.476 40 0 CGABRO C([C@H]1C[C@H]1C1CCCCC1)[N@@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218838941 333137083 /nfs/dbraw/zinc/13/70/83/333137083.db2.gz MSFDEISPJHZVBL-XMTFNYHQSA-N 1 0 276.468 3.419 40 0 CGABRO CC(C)(C)CC(C)(C)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062717811 333176018 /nfs/dbraw/zinc/17/60/18/333176018.db2.gz WIBXGTMEZANHBH-UHFFFAOYSA-N 1 0 290.455 3.381 40 0 CGABRO CC(C)OC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096040494 185068756 /nfs/dbraw/zinc/06/87/56/185068756.db2.gz KDBLBJLALHWEKL-SJORKVTESA-N 1 0 293.407 3.076 40 0 CGABRO CO[C@@H]1CC[N@H+](Cc2ccco2)[C@H]1Cc1ccccc1 ZINC000096061570 185082630 /nfs/dbraw/zinc/08/26/30/185082630.db2.gz IXNKRHQVLRWBBO-DLBZAZTESA-N 1 0 271.360 3.112 40 0 CGABRO CO[C@H]1COC2(C1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000096106534 185099006 /nfs/dbraw/zinc/09/90/06/185099006.db2.gz JOXPACFJMMKUIV-OAHLLOKOSA-N 1 0 295.810 3.110 40 0 CGABRO C[NH2+]CCCNc1cc(C)nc2c(OC)ccc(Cl)c12 ZINC000222691991 529971522 /nfs/dbraw/zinc/97/15/22/529971522.db2.gz HBCJSIVZSCVGMW-UHFFFAOYSA-N 1 0 293.798 3.227 40 0 CGABRO CCCCOc1ccc(Cl)cc1-c1noc(C[NH2+]C)n1 ZINC000256050954 346399044 /nfs/dbraw/zinc/39/90/44/346399044.db2.gz HEAVRZUXXWLMLT-UHFFFAOYSA-N 1 0 295.770 3.288 40 0 CGABRO COCC[C@H]1Cn2cccc2C[N@H+](Cc2cccs2)C1 ZINC000585094638 346724307 /nfs/dbraw/zinc/72/43/07/346724307.db2.gz BVZLFNAXKMZELZ-CQSZACIVSA-N 1 0 290.432 3.218 40 0 CGABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CC1CC1 ZINC000585290665 346725878 /nfs/dbraw/zinc/72/58/78/346725878.db2.gz ZOVIMPMOXJCXTN-ARFHVFGLSA-N 1 0 295.810 3.000 40 0 CGABRO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCCCC2)CC(C)(C)C1 ZINC000039931583 291151258 /nfs/dbraw/zinc/15/12/58/291151258.db2.gz AMTVBNMAIGCREU-XHSDSOJGSA-N 1 0 283.456 3.065 40 0 CGABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000191139836 189583779 /nfs/dbraw/zinc/58/37/79/189583779.db2.gz PHJQBDRRUGXCJP-UHFFFAOYSA-N 1 0 294.826 3.254 40 0 CGABRO CC[C@@H](C)Oc1cccc([C@@H](C)[NH2+]CCOC)c1 ZINC000225166433 189745268 /nfs/dbraw/zinc/74/52/68/189745268.db2.gz WGJOCJASYBSMEE-CHWSQXEVSA-N 1 0 251.370 3.161 40 0 CGABRO CC[NH+](CC)CCC(=O)c1cnc(-c2ccccc2)nc1C ZINC000001593986 368421929 /nfs/dbraw/zinc/42/19/29/368421929.db2.gz NIXOBOXTTJWHFE-UHFFFAOYSA-N 1 0 297.402 3.367 40 0 CGABRO C[NH2+][C@@H](Cc1ccccc1)c1cccc(OC)c1OC ZINC000001667131 368428773 /nfs/dbraw/zinc/42/87/73/368428773.db2.gz JTFSNJPJULQHQZ-HNNXBMFYSA-N 1 0 271.360 3.207 40 0 CGABRO C[NH+](C)CCCn1cnc2cc(Cl)c(Cl)cc21 ZINC000001670973 368429360 /nfs/dbraw/zinc/42/93/60/368429360.db2.gz JIGXCJFPEBGGTA-UHFFFAOYSA-N 1 0 272.179 3.295 40 0 in-vitro CGABRO CC[C@@H]1C[C@@H](CNC(=O)OCC[NH+](CC)CC)C1(C)C ZINC000004191305 368535390 /nfs/dbraw/zinc/53/53/90/368535390.db2.gz CZZWABSJFGCIPD-KGLIPLIRSA-N 1 0 284.444 3.127 40 0 CGABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000004317305 368543077 /nfs/dbraw/zinc/54/30/77/368543077.db2.gz ABLQPKMXLOVVBU-IHRRRGAJSA-N 1 0 297.826 3.058 40 0 CGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C)cc1 ZINC000010543007 368583855 /nfs/dbraw/zinc/58/38/55/368583855.db2.gz UPUZWOYZUMOMJN-KRWDZBQOSA-N 1 0 288.435 3.379 40 0 CGABRO CCN(CC)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000019262326 368746762 /nfs/dbraw/zinc/74/67/62/368746762.db2.gz AMLOLOJKDZELSU-GFCCVEGCSA-N 1 0 261.196 3.335 40 0 CGABRO Cc1ncc(C[NH2+][C@@H]2[C@@H](c3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000019287274 368748274 /nfs/dbraw/zinc/74/82/74/368748274.db2.gz AGRNACYLOPFGLV-VJANTYMQSA-N 1 0 293.414 3.457 40 0 CGABRO CC[C@H]1C[NH2+]Cc2cc3c(C)ccc(C)c3nc2O1 ZINC000019500972 368755448 /nfs/dbraw/zinc/75/54/48/368755448.db2.gz BFHWERLRXTWOMP-ZDUSSCGKSA-N 1 0 256.349 3.112 40 0 CGABRO CC[C@H](C)Oc1ccc(C[NH2+]C(C)C)cc1OC ZINC000034817068 368979723 /nfs/dbraw/zinc/97/97/23/368979723.db2.gz JGVQPUYIZJHCIT-LBPRGKRZSA-N 1 0 251.370 3.371 40 0 CGABRO CCCCOc1ccc(C[NH2+]CCCOC)cc1OC ZINC000032127948 368926647 /nfs/dbraw/zinc/92/66/47/368926647.db2.gz QHRGJVKRMVDFNZ-UHFFFAOYSA-N 1 0 281.396 3.000 40 0 CGABRO Cc1ccc(C)c(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000046959974 369302113 /nfs/dbraw/zinc/30/21/13/369302113.db2.gz VVDACMDUKYEGKS-HNNXBMFYSA-N 1 0 288.435 3.155 40 0 CGABRO C[NH2+][C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000053201653 369480869 /nfs/dbraw/zinc/48/08/69/369480869.db2.gz ZZNZKORNGZGGMK-JTQLQIEISA-N 1 0 273.207 3.177 40 0 CGABRO c1ccc2c(c1)N[C@@H]1[C@H]2CC[N@@H+]2C[C@H]3CCCC[C@@H]3[C@@H]12 ZINC000102805627 370311881 /nfs/dbraw/zinc/31/18/81/370311881.db2.gz LKHAUIVLOLWBIF-ZFOGPFJYSA-N 1 0 268.404 3.459 40 0 CGABRO CCN(C)c1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072212797 284371739 /nfs/dbraw/zinc/37/17/39/284371739.db2.gz GTNUDNWEMKHOOK-OAHLLOKOSA-N 1 0 261.413 3.473 40 0 CGABRO Cc1cccc(Oc2cncc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000257198322 190010468 /nfs/dbraw/zinc/01/04/68/190010468.db2.gz YYTRSMDCQLRDMF-CYBMUJFWSA-N 1 0 269.348 3.044 40 0 CGABRO CC(C)[NH+]1CCC(Cc2ccc(-c3ccnn3C)nc2)CC1 ZINC000257200739 190010635 /nfs/dbraw/zinc/01/06/35/190010635.db2.gz AERSGQQFCHOIFI-UHFFFAOYSA-N 1 0 298.434 3.145 40 0 CGABRO CCCn1ccnc1C[N@@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257212013 190013252 /nfs/dbraw/zinc/01/32/52/190013252.db2.gz CBNWDADKVKECOE-QGZVFWFLSA-N 1 0 298.434 3.285 40 0 CGABRO Cc1c[nH]c(-c2cc([C@H]3CCC[N@@H+](C(C)C)C3)nc(C)n2)n1 ZINC000257242902 190018509 /nfs/dbraw/zinc/01/85/09/190018509.db2.gz IEQVQIXAXBXMQB-AWEZNQCLSA-N 1 0 299.422 3.071 40 0 CGABRO Cc1csc(-c2ccc(C[C@@H]3CCC[NH2+]C3)cn2)n1 ZINC000257248535 190019970 /nfs/dbraw/zinc/01/99/70/190019970.db2.gz JEBYDOOAJPZMJN-LBPRGKRZSA-N 1 0 273.405 3.056 40 0 CGABRO Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCC[N@@H+]2C)n1 ZINC000257291623 190027455 /nfs/dbraw/zinc/02/74/55/190027455.db2.gz QHXCLEGMLNFYJN-INIZCTEOSA-N 1 0 299.422 3.386 40 0 CGABRO CC(C)Cc1ncc(-c2cncc([C@H]3CCC[NH2+]3)n2)s1 ZINC000257291108 190027551 /nfs/dbraw/zinc/02/75/51/190027551.db2.gz QFSKGCKIZCHSHY-LLVKDONJSA-N 1 0 288.420 3.223 40 0 CGABRO Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1cncc(C)n1 ZINC000257274483 190024603 /nfs/dbraw/zinc/02/46/03/190024603.db2.gz NLGCTLGCQRCYIA-CQSZACIVSA-N 1 0 273.405 3.492 40 0 CGABRO Fc1ccccc1Cc1cccc([C@H]2CCC[NH2+]2)n1 ZINC000257332639 190035573 /nfs/dbraw/zinc/03/55/73/190035573.db2.gz XYCJSQCSVKCXOH-OAHLLOKOSA-N 1 0 256.324 3.236 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H](c2cncc(-c3cncs3)n2)C1 ZINC000257339504 190037188 /nfs/dbraw/zinc/03/71/88/190037188.db2.gz ZCAAMFQIJNWKSA-LBPRGKRZSA-N 1 0 288.420 3.188 40 0 CGABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)n1 ZINC000257339634 190037225 /nfs/dbraw/zinc/03/72/25/190037225.db2.gz ZCOKRDIHXDFCMY-CQSZACIVSA-N 1 0 287.794 3.428 40 0 CGABRO Fc1cccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1F ZINC000193859429 375931333 /nfs/dbraw/zinc/93/13/33/375931333.db2.gz DFMONPQVSZDGDI-NSHDSACASA-N 1 0 277.318 3.068 40 0 CGABRO Cc1ccc(-c2ccc3nnc([C@H]([NH3+])C(C)C)n3n2)cc1C ZINC000217564616 376176250 /nfs/dbraw/zinc/17/62/50/376176250.db2.gz KNYKFWICDNDELN-MRXNPFEDSA-N 1 0 295.390 3.064 40 0 CGABRO CCc1ccc(C[NH2+]Cc2ccc(OC)cc2)n1CC ZINC000226019803 376338578 /nfs/dbraw/zinc/33/85/78/376338578.db2.gz DTZIUSWLZYFKGL-UHFFFAOYSA-N 1 0 272.392 3.369 40 0 CGABRO O=C1c2ccccc2CCC[C@@H]1[C@H]1CCCCC[NH2+]1 ZINC000019375294 285024203 /nfs/dbraw/zinc/02/42/03/285024203.db2.gz FAHJUQKHFKDJIS-HZPDHXFCSA-N 1 0 257.377 3.354 40 0 CGABRO CCC[C@@H]([NH2+]Cc1cnc(NC)nc1)c1ccccc1 ZINC000062717475 392133190 /nfs/dbraw/zinc/13/31/90/392133190.db2.gz JWRZXRNRNVRMRB-OAHLLOKOSA-N 1 0 270.380 3.149 40 0 CGABRO CNc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212465 392196855 /nfs/dbraw/zinc/19/68/55/392196855.db2.gz TUZPLAISOKKPDJ-INIZCTEOSA-N 1 0 267.376 3.460 40 0 CGABRO COc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072211711 392197361 /nfs/dbraw/zinc/19/73/61/392197361.db2.gz TWSOZIVUPGPZOL-MRXNPFEDSA-N 1 0 268.360 3.427 40 0 CGABRO Cc1[nH]c(=S)ccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072218384 392199853 /nfs/dbraw/zinc/19/98/53/392199853.db2.gz OADIQWKYMYIDCZ-CYBMUJFWSA-N 1 0 250.411 3.472 40 0 CGABRO [NH3+]CC1(c2cc(-c3ccc(F)cc3)on2)CCCC1 ZINC000072220692 392202034 /nfs/dbraw/zinc/20/20/34/392202034.db2.gz RRRFLNRVUYHFQQ-UHFFFAOYSA-N 1 0 260.312 3.251 40 0 CGABRO CC[C@@H]([NH3+])c1ccc(N2CCc3ccccc32)nc1 ZINC000072225815 392204208 /nfs/dbraw/zinc/20/42/08/392204208.db2.gz UKHJWYXBBAMXRY-CQSZACIVSA-N 1 0 253.349 3.186 40 0 CGABRO [NH3+][C@@H]1CCCC[C@H]1Nc1ccc(Br)cc1 ZINC000218682153 392997864 /nfs/dbraw/zinc/99/78/64/392997864.db2.gz LGWGIPOIUMTYIC-VXGBXAGGSA-N 1 0 269.186 3.131 40 0 CGABRO CC(C)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000002390005 169790352 /nfs/dbraw/zinc/79/03/52/169790352.db2.gz LRLQTMFGXRRQOB-JTQLQIEISA-N 1 0 256.187 3.378 40 0 CGABRO COC(=[NH2+])N(Cc1ccccc1)Cc1ccccc1 ZINC000004783436 170016352 /nfs/dbraw/zinc/01/63/52/170016352.db2.gz PGRDLQUSPRLOKJ-UHFFFAOYSA-N 1 0 254.333 3.270 40 0 CGABRO C[n+]1ccc(/C=C/c2ccc(Sc3ncccn3)o2)cc1 ZINC000005002290 170052924 /nfs/dbraw/zinc/05/29/24/170052924.db2.gz DSIPZYRWJQJWRF-ONEGZZNKSA-N 1 0 296.375 3.216 40 0 CGABRO CC[NH+](CC)Cc1cc(Cl)cc2c1OCOC2 ZINC000005469676 170102420 /nfs/dbraw/zinc/10/24/20/170102420.db2.gz ZKEHJEAYDMTUAM-UHFFFAOYSA-N 1 0 255.745 3.048 40 0 CGABRO CCC[C@@H](O)C[NH2+]C[C@@H]1CC[C@@H]2CCc3cccc1c32 ZINC000005731978 170135032 /nfs/dbraw/zinc/13/50/32/170135032.db2.gz IPOQXZDRQPLOFD-HRCADAONSA-N 1 0 273.420 3.344 40 0 CGABRO Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000006008629 170167942 /nfs/dbraw/zinc/16/79/42/170167942.db2.gz XQJJCWQPGBNOEV-QGZVFWFLSA-N 1 0 291.435 3.308 40 0 CGABRO [NH3+]CCc1c2cc(Cl)ccc2[nH]c1-c1cccnc1 ZINC000006732124 170235907 /nfs/dbraw/zinc/23/59/07/170235907.db2.gz DJTUNVOSFFTWSH-UHFFFAOYSA-N 1 0 271.751 3.385 40 0 CGABRO C[C@@H]1CCCC[N@@H+]1CCCOc1cccc(C=O)c1 ZINC000009261536 170369427 /nfs/dbraw/zinc/36/94/27/170369427.db2.gz SWKWGFBTWXHGIY-CQSZACIVSA-N 1 0 261.365 3.142 40 0 CGABRO COc1ccccc1CN[C@H]1CCC[NH2+][C@H]1c1ccccc1 ZINC000022441784 171387653 /nfs/dbraw/zinc/38/76/53/171387653.db2.gz DTQNEFOKTXXQKV-HKUYNNGSSA-N 1 0 296.414 3.278 40 0 in-vivo CGABRO C[N@@H+]1CCC[C@H](Cc2cncc(Br)c2)CC1 ZINC000072366094 176381160 /nfs/dbraw/zinc/38/11/60/176381160.db2.gz YSKKYRUZXDPKRW-NSHDSACASA-N 1 0 283.213 3.119 40 0 CGABRO Cc1cc(C)nc(Nc2ccc([C@H]3CCCC[NH2+]3)cn2)n1 ZINC000072376701 176384943 /nfs/dbraw/zinc/38/49/43/176384943.db2.gz RFLPSKSPJWHBGC-CQSZACIVSA-N 1 0 283.379 3.047 40 0 CGABRO CC(C)c1ccc(OCCc2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000072374093 176385010 /nfs/dbraw/zinc/38/50/10/176385010.db2.gz UZOKNYOQPKDJPP-OAHLLOKOSA-N 1 0 299.418 3.232 40 0 CGABRO c1cn(-c2cncc([C@H]3CCC[N@@H+]3C3CCCCC3)n2)cn1 ZINC000072378713 176385589 /nfs/dbraw/zinc/38/55/89/176385589.db2.gz DLQYQLDRWJURFP-MRXNPFEDSA-N 1 0 297.406 3.132 40 0 CGABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)cc1 ZINC000072384981 176389017 /nfs/dbraw/zinc/38/90/17/176389017.db2.gz QQJLXXIZSBLTPX-QGZVFWFLSA-N 1 0 283.375 3.212 40 0 CGABRO Cc1cncc(C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000072385001 176389289 /nfs/dbraw/zinc/38/92/89/176389289.db2.gz WNRASEPDYHBZQQ-UHFFFAOYSA-N 1 0 281.403 3.207 40 0 CGABRO CCCCc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000078578438 177356270 /nfs/dbraw/zinc/35/62/70/177356270.db2.gz BSPSLHDMSSNQBQ-OAHLLOKOSA-N 1 0 274.408 3.310 40 0 CGABRO Cc1cccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000013670133 260074994 /nfs/dbraw/zinc/07/49/94/260074994.db2.gz AYNPIRAMZOQULF-HOTGVXAUSA-N 1 0 288.435 3.093 40 0 CGABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215939 276161258 /nfs/dbraw/zinc/16/12/58/276161258.db2.gz PXXDHXKVNXMYAS-HNNXBMFYSA-N 1 0 259.397 3.229 40 0 CGABRO CC[C@@H]([NH3+])c1cnc(N2CCc3ccccc3C2)cc1C ZINC000072223898 276432984 /nfs/dbraw/zinc/43/29/84/276432984.db2.gz PIMSXVOIERCZIJ-QGZVFWFLSA-N 1 0 281.403 3.363 40 0 CGABRO CN1C(=O)C2(CC[NH+](CC3CCC3)CC2)[C@@H]1c1ccccc1 ZINC000096244739 276872512 /nfs/dbraw/zinc/87/25/12/276872512.db2.gz XSWYWOFKESCAFT-KRWDZBQOSA-N 1 0 298.430 3.082 40 0 CGABRO C[N@@H+]1Cc2ccccc2C2(CCN(c3nccs3)CC2)C1 ZINC000096079518 277209047 /nfs/dbraw/zinc/20/90/47/277209047.db2.gz DUCFMLGSHFIVJQ-UHFFFAOYSA-N 1 0 299.443 3.127 40 0 CGABRO CC(C)n1ncc2c1-c1ccccc1OC21CC[NH+](C)CC1 ZINC000306139201 278143490 /nfs/dbraw/zinc/14/34/90/278143490.db2.gz SRYZJQSGUGSXDO-UHFFFAOYSA-N 1 0 297.402 3.444 40 0 CGABRO C[n+]1ccc(/C=C/C2=Cc3ccccc3OC2)cc1 ZINC000005002289 280181160 /nfs/dbraw/zinc/18/11/60/280181160.db2.gz FRDHELUSBPIKRD-VOTSOKGWSA-N 1 0 250.321 3.000 40 0 CGABRO Cc1cc(N2CCc3ccccc32)ncc1[C@@H](C)[NH3+] ZINC000072223949 280581079 /nfs/dbraw/zinc/58/10/79/280581079.db2.gz VDRRVHANCKAOGY-GFCCVEGCSA-N 1 0 253.349 3.104 40 0 CGABRO [NH3+]C[C@H](c1cccc(Cl)c1Cl)N1CCCCC1 ZINC000039034761 295264508 /nfs/dbraw/zinc/26/45/08/295264508.db2.gz HBJAYMKRBXGOEG-GFCCVEGCSA-N 1 0 273.207 3.479 40 0 CGABRO CCn1cc(Cc2ccccc2C(F)(F)F)[nH+]c1N ZINC000199550110 567906122 /nfs/dbraw/zinc/90/61/22/567906122.db2.gz WZTBQCHZTUNGJQ-UHFFFAOYSA-N 1 0 269.270 3.095 40 0 CGABRO CC[NH+](CC)CCCNc1cccc2cccnc21 ZINC000001873620 344856300 /nfs/dbraw/zinc/85/63/00/344856300.db2.gz SFGUQGRGBQDSFI-UHFFFAOYSA-N 1 0 257.381 3.379 40 0 CGABRO C[NH2+]C1(C)CN(C(c2ccccc2)c2ccccc2)C1 ZINC000034219726 344938459 /nfs/dbraw/zinc/93/84/59/344938459.db2.gz PVQXRYTXOATJFJ-UHFFFAOYSA-N 1 0 266.388 3.070 40 0 CGABRO CN1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000040671679 344965267 /nfs/dbraw/zinc/96/52/67/344965267.db2.gz NCYDEWLHSTYCSD-LLVKDONJSA-N 1 0 273.207 3.177 40 0 CGABRO C([C@@H]1C[C@H]1C1CCCCC1)[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714883 346304565 /nfs/dbraw/zinc/30/45/65/346304565.db2.gz MSFDEISPJHZVBL-FJIDUMEYSA-N 1 0 276.468 3.419 40 0 CGABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(C)s1)C2 ZINC000107751694 186189592 /nfs/dbraw/zinc/18/95/92/186189592.db2.gz WLUZQRWPHGWGOF-CVEARBPZSA-N 1 0 295.448 3.074 40 0 CGABRO CCn1c2ccccc2nc1Nc1ccccc1N ZINC000218825868 376189798 /nfs/dbraw/zinc/18/97/98/376189798.db2.gz VDPJFPUGLULMMM-UHFFFAOYSA-N 1 0 252.321 3.382 40 0 CGABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)s1 ZINC000121201235 370839080 /nfs/dbraw/zinc/83/90/80/370839080.db2.gz VELXBFCCPZAOEG-GFCCVEGCSA-N 1 0 261.394 3.159 40 0 CGABRO [NH3+][C@H]1CCCC[C@@H]1Nc1cccc(C(F)(F)F)c1 ZINC000218860294 376192003 /nfs/dbraw/zinc/19/20/03/376192003.db2.gz SZOJJWMTFAQNHM-RYUDHWBXSA-N 1 0 258.287 3.387 40 0 CGABRO C[C@H]1Cc2cc(C(=O)CC[NH+]3CCCCC3)ccc2O1 ZINC000001455732 368414370 /nfs/dbraw/zinc/41/43/70/368414370.db2.gz QPGYWRMEPJZZQJ-ZDUSSCGKSA-N 1 0 273.376 3.069 40 0 CGABRO Oc1ccc(SCCCC[n+]2ccccc2)cc1 ZINC000003030637 368489262 /nfs/dbraw/zinc/48/92/62/368489262.db2.gz ACBPMFBUHIHTCQ-UHFFFAOYSA-O 1 0 260.382 3.252 40 0 CGABRO C[N@@H+]1CC[C@@H](OC(c2ccccc2)c2ccccc2)C1 ZINC000003638058 368515960 /nfs/dbraw/zinc/51/59/60/368515960.db2.gz MGXCSSMKOVWQDN-QGZVFWFLSA-N 1 0 267.372 3.497 40 0 CGABRO C[N@H+]1C=C[C@@H](C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000005519226 368563777 /nfs/dbraw/zinc/56/37/77/368563777.db2.gz HLSVCEOMZDFUDB-GOSISDBHSA-N 1 0 279.383 3.388 40 0 CGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C)cc1 ZINC000010543006 368583526 /nfs/dbraw/zinc/58/35/26/368583526.db2.gz UPUZWOYZUMOMJN-QGZVFWFLSA-N 1 0 288.435 3.379 40 0 CGABRO O=C(Nc1ccc2ccccc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932045 368878469 /nfs/dbraw/zinc/87/84/69/368878469.db2.gz ISFWKBLWTSLAJV-KRWDZBQOSA-N 1 0 295.386 3.152 40 0 CGABRO c1cc(OC2CCCC2)ccc1C[NH2+]C[C@H]1CCCO1 ZINC000032121897 368926461 /nfs/dbraw/zinc/92/64/61/368926461.db2.gz WYJXBTDWRSIQSM-QGZVFWFLSA-N 1 0 275.392 3.277 40 0 CGABRO [NH2+]=C1NC[C@@H]2c3ccccc3Cc3cc(Cl)ccc3N12 ZINC000038600351 369147907 /nfs/dbraw/zinc/14/79/07/369147907.db2.gz OHOWXEDRJQSBEY-OAHLLOKOSA-N 1 0 283.762 3.330 40 0 in-vitro CGABRO CC(C)(C)CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000068117936 369739628 /nfs/dbraw/zinc/73/96/28/369739628.db2.gz UEOCRVZQDTUWNL-INIZCTEOSA-N 1 0 288.435 3.061 40 0 CGABRO CCN(C(=O)OCc1ccccc1)[C@H]1CCCC[C@H]1[NH2+]C ZINC000079437817 369968521 /nfs/dbraw/zinc/96/85/21/369968521.db2.gz IIVASKQQTWZDTG-CVEARBPZSA-N 1 0 290.407 3.176 40 0 CGABRO CCN(C(=O)OCc1ccccc1)C1CCC([NH2+]C)CC1 ZINC000079437808 369968956 /nfs/dbraw/zinc/96/89/56/369968956.db2.gz LAVJNGNMUKEOAE-UHFFFAOYSA-N 1 0 290.407 3.176 40 0 CGABRO Cc1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)s1 ZINC000096255076 370209281 /nfs/dbraw/zinc/20/92/81/370209281.db2.gz MSECAGKKZZKFSM-UHFFFAOYSA-N 1 0 299.443 3.325 40 0 CGABRO C/C(=C\c1ccccc1)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000179907944 373937822 /nfs/dbraw/zinc/93/78/22/373937822.db2.gz MSRIZRFAWHWGMU-GWKQRERASA-N 1 0 257.377 3.201 40 0 CGABRO C[N@@H+]1CC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257232452 190017015 /nfs/dbraw/zinc/01/70/15/190017015.db2.gz GKXJGAULUOJUKA-GFCCVEGCSA-N 1 0 276.767 3.338 40 0 CGABRO Cc1cn(C)c([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000257234002 190017158 /nfs/dbraw/zinc/01/71/58/190017158.db2.gz GRQWRQPQMGQIPS-CQSZACIVSA-N 1 0 261.413 3.241 40 0 CGABRO Cc1cc(C)nc([C@H]2CC[N@H+](Cc3cccs3)C2)n1 ZINC000257254970 190020759 /nfs/dbraw/zinc/02/07/59/190020759.db2.gz KFNUVPBWFUJSBJ-ZDUSSCGKSA-N 1 0 273.405 3.144 40 0 CGABRO c1cnc([C@@H]2CCC[N@H+](C3CCCCCC3)C2)cn1 ZINC000257288494 190026978 /nfs/dbraw/zinc/02/69/78/190026978.db2.gz PUKBJZLOJFWNSR-CQSZACIVSA-N 1 0 259.397 3.379 40 0 CGABRO c1cc([C@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)n[nH]1 ZINC000257293837 190028504 /nfs/dbraw/zinc/02/85/04/190028504.db2.gz QRKCNAAFWTUAGZ-HNNXBMFYSA-N 1 0 280.375 3.271 40 0 CGABRO COCC[NH2+]Cc1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000223677819 376259151 /nfs/dbraw/zinc/25/91/51/376259151.db2.gz XQOMGKCDINYGMN-HNNXBMFYSA-N 1 0 286.419 3.450 40 0 CGABRO CC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225592030 376315832 /nfs/dbraw/zinc/31/58/32/376315832.db2.gz HYPXHMQKDSZCGT-UHFFFAOYSA-N 1 0 290.407 3.146 40 0 CGABRO c1ccc(-c2nccnc2C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000072384522 285468230 /nfs/dbraw/zinc/46/82/30/285468230.db2.gz LJUQDOHUKBAUFK-CQSZACIVSA-N 1 0 267.376 3.076 40 0 CGABRO CCCCCC[NH2+]Cc1cnc(SCC)nc1 ZINC000062717300 392133141 /nfs/dbraw/zinc/13/31/41/392133141.db2.gz ZNSRMFVCEMELAR-UHFFFAOYSA-N 1 0 253.415 3.259 40 0 CGABRO Nc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212386 392197398 /nfs/dbraw/zinc/19/73/98/392197398.db2.gz CVOIMRCRDZMQJN-MRXNPFEDSA-N 1 0 267.376 3.391 40 0 CGABRO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000072214424 392198459 /nfs/dbraw/zinc/19/84/59/392198459.db2.gz MYMSUWGPGPWQLF-CYBMUJFWSA-N 1 0 291.395 3.220 40 0 CGABRO CC[C@@H]([NH3+])c1cnc(N(C)Cc2ccccc2)cc1C ZINC000072223404 392203090 /nfs/dbraw/zinc/20/30/90/392203090.db2.gz AQPIPTCPTGWZQQ-MRXNPFEDSA-N 1 0 269.392 3.436 40 0 CGABRO Cc1nc(N2CCc3ccccc32)ccc1[C@H](C)[NH3+] ZINC000072224992 392204407 /nfs/dbraw/zinc/20/44/07/392204407.db2.gz BXAPXTISGRKCDT-NSHDSACASA-N 1 0 253.349 3.104 40 0 CGABRO CC(C)n1nccc1-c1nccnc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000257207650 393135661 /nfs/dbraw/zinc/13/56/61/393135661.db2.gz BIQBVCJYFUWIEV-AWEZNQCLSA-N 1 0 299.422 3.466 40 0 CGABRO C[n+]1ccc(N2CCCCC2)c2ccc(Cl)cc21 ZINC000001718722 134637512 /nfs/dbraw/zinc/63/75/12/134637512.db2.gz CAYUHRKJYDJWCP-UHFFFAOYSA-N 1 0 261.776 3.308 40 0 CGABRO Cc1ccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4[NH2+]2)cc1 ZINC000019212293 292030352 /nfs/dbraw/zinc/03/03/52/292030352.db2.gz OFTSAKPDDRZLLC-DZGCQCFKSA-N 1 0 290.370 3.054 40 0 CGABRO C/C(=C\c1ccccc1)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000019575024 397604508 /nfs/dbraw/zinc/60/45/08/397604508.db2.gz AEWGFUWDVPVAQA-OBCDOCMJSA-N 1 0 270.420 3.258 40 0 CGABRO CCOC(=O)C[C@H]([NH2+]C1CC1)c1ccccc1Cl ZINC000072210286 397640574 /nfs/dbraw/zinc/64/05/74/397640574.db2.gz NOQMPPRFXUOXII-ZDUSSCGKSA-N 1 0 267.756 3.086 40 0 CGABRO Cc1cccc2cc(C[NH2+]C[C@@H]3CCCO3)c(Cl)nc12 ZINC000004890453 170036493 /nfs/dbraw/zinc/03/64/93/170036493.db2.gz FDGBKQZAMYTEPR-AWEZNQCLSA-N 1 0 290.794 3.465 40 0 CGABRO CC[N@H+](CCOC)[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000005700952 170130905 /nfs/dbraw/zinc/13/09/05/170130905.db2.gz IVITUNMAUPXSGV-RTBURBONSA-N 1 0 299.414 3.430 40 0 CGABRO [NH3+]C[C@H](c1cc(Cl)cc(Cl)c1)N1CCCCC1 ZINC000037424782 173198908 /nfs/dbraw/zinc/19/89/08/173198908.db2.gz DXKINZKWOBCHAU-CYBMUJFWSA-N 1 0 273.207 3.479 40 0 CGABRO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039742612 174172595 /nfs/dbraw/zinc/17/25/95/174172595.db2.gz HFMMTFQCCBNLJQ-OAHLLOKOSA-N 1 0 288.435 3.122 40 0 CGABRO C[NH2+]C1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000072203616 176341465 /nfs/dbraw/zinc/34/14/65/176341465.db2.gz RKOYMWCOUOXXMZ-UHFFFAOYSA-N 1 0 273.207 3.177 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H](Cc2ccc(Cl)nc2)C1 ZINC000072343525 176371862 /nfs/dbraw/zinc/37/18/62/176371862.db2.gz DDAMZBGVYMWWMT-ZDUSSCGKSA-N 1 0 252.789 3.398 40 0 CGABRO COc1ccc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000072356401 176375706 /nfs/dbraw/zinc/37/57/06/176375706.db2.gz ZGPSRKQUEQDLPY-CQSZACIVSA-N 1 0 268.360 3.224 40 0 CGABRO Fc1ccc(Cc2cccc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000072356417 176375771 /nfs/dbraw/zinc/37/57/71/176375771.db2.gz TXPLHIQUPXHRQS-AWEZNQCLSA-N 1 0 270.351 3.279 40 0 CGABRO COc1ccccc1Oc1nccnc1[C@H]1CCC[N@H+](C)C1 ZINC000072361534 176377429 /nfs/dbraw/zinc/37/74/29/176377429.db2.gz WAJVYPRMWNLKIX-ZDUSSCGKSA-N 1 0 299.374 3.087 40 0 CGABRO CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1c(C)ccc(N)c1C ZINC000077271425 177247303 /nfs/dbraw/zinc/24/73/03/177247303.db2.gz KMKVPTQSHPZTAQ-OAHLLOKOSA-N 1 0 289.423 3.089 40 0 in-vitro CGABRO CSC[C@H]1C[NH2+][C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1 ZINC000022056505 274178734 /nfs/dbraw/zinc/17/87/34/274178734.db2.gz BHDLEAVQICQCHC-WDBKCZKBSA-N 1 0 272.417 3.149 40 0 in-vitro CGABRO C(OC[C@H]1COCCC12CC[NH+](C1CCC1)CC2)C1CC1 ZINC000096106504 275396262 /nfs/dbraw/zinc/39/62/62/275396262.db2.gz IPILXTHDGUTPBQ-MRXNPFEDSA-N 1 0 293.451 3.084 40 0 CGABRO Cc1c(Cl)sc2c1C(=O)C1=[N+](CCCC1)C2 ZINC000013115470 280235948 /nfs/dbraw/zinc/23/59/48/280235948.db2.gz ZQJFPGDHMUKVPB-UHFFFAOYSA-N 1 0 254.762 3.044 40 0 CGABRO C[C@@H]1C[C@@H]([NH3+])c2ccccc2N1C(=O)OC(C)(C)C ZINC000242722806 297259567 /nfs/dbraw/zinc/25/95/67/297259567.db2.gz XVHAIQLVLSSAMN-ZYHUDNBSSA-N 1 0 262.353 3.220 40 0 CGABRO C[C@@H]1C[C@@H](OC[C@H](O)C[NH+]2CCCCC2)CC(C)(C)C1 ZINC000039931584 297291177 /nfs/dbraw/zinc/29/11/77/297291177.db2.gz AMTVBNMAIGCREU-BZUAXINKSA-N 1 0 283.456 3.065 40 0 CGABRO C[C@H]1C[C@H]([NH3+])c2ccccc2N1C(=O)OC(C)(C)C ZINC000242722802 300496159 /nfs/dbraw/zinc/49/61/59/300496159.db2.gz XVHAIQLVLSSAMN-JQWIXIFHSA-N 1 0 262.353 3.220 40 0 CGABRO Cc1cc(N(C)C)ncc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072218701 301329634 /nfs/dbraw/zinc/32/96/34/301329634.db2.gz GEKBCDMVDFNVKO-OAHLLOKOSA-N 1 0 261.413 3.391 40 0 CGABRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000085391303 179048614 /nfs/dbraw/zinc/04/86/14/179048614.db2.gz PEQRQJNKQFTFMG-MWLCHTKSSA-N 1 0 254.171 3.195 40 0 CGABRO COCC[C@@H]1Cn2cccc2C[N@H+](Cc2ccc(C)o2)C1 ZINC000585094653 346724716 /nfs/dbraw/zinc/72/47/16/346724716.db2.gz NGQJLOZRLFGLAV-HNNXBMFYSA-N 1 0 288.391 3.058 40 0 CGABRO c1cc(C[C@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)n[nH]1 ZINC000585182123 346725945 /nfs/dbraw/zinc/72/59/45/346725945.db2.gz RCRACAJRNPSKFD-CQSZACIVSA-N 1 0 294.402 3.346 40 0 CGABRO [NH2+]=C1c2ccccc2CN1CCSC(F)(F)F ZINC000108591657 186224682 /nfs/dbraw/zinc/22/46/82/186224682.db2.gz WXLXFWWANNSDFP-UHFFFAOYSA-N 1 0 260.284 3.081 40 0 CGABRO C[C@H]1C[C@@H](OC[C@@H](O)C[N@H+]2CCC[C@H](C)C2)CC(C)(C)C1 ZINC000005092945 291090278 /nfs/dbraw/zinc/09/02/78/291090278.db2.gz GDTCYKNWOQXPNI-LUKYLMHMSA-N 1 0 297.483 3.311 40 0 CGABRO [NH3+][C@H]1CCCC[C@H]1Nc1cccc(Br)c1 ZINC000218859874 376191355 /nfs/dbraw/zinc/19/13/55/376191355.db2.gz FPNKNFVUBPIETF-NWDGAFQWSA-N 1 0 269.186 3.131 40 0 CGABRO CC[C@@H](CO)[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000001666320 368427673 /nfs/dbraw/zinc/42/76/73/368427673.db2.gz PUWDOUUZCPMKIU-PKOBYXMFSA-N 1 0 299.414 3.340 40 0 CGABRO CCC[NH2+]CCCNc1cc(OC)cc2cccnc21 ZINC000001653203 368427820 /nfs/dbraw/zinc/42/78/20/368427820.db2.gz PXUASGLFMJPZGV-UHFFFAOYSA-N 1 0 273.380 3.045 40 0 CGABRO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000004173914 368534702 /nfs/dbraw/zinc/53/47/02/368534702.db2.gz GBBKLVNISBEAMH-ULQDDVLXSA-N 1 0 291.435 3.306 40 0 CGABRO C[NH+](C)C[C@H](O)C12C[C@@H]3C[C@@H](CC(c4ccccc4)(C3)C1)C2 ZINC000016778705 368720839 /nfs/dbraw/zinc/72/08/39/368720839.db2.gz NIRBDHSDDLHSCH-MPFRCTNFSA-N 1 0 299.458 3.447 40 0 CGABRO CC(C)(C)c1noc([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000019084645 368744368 /nfs/dbraw/zinc/74/43/68/368744368.db2.gz CGEOFBNCCLZOMH-AWEZNQCLSA-N 1 0 285.391 3.357 40 0 CGABRO Fc1cccc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000019293862 368748144 /nfs/dbraw/zinc/74/81/44/368748144.db2.gz QHYFKHXCSPBMPG-YXJHDRRASA-N 1 0 288.410 3.132 40 0 CGABRO Fc1ccc([C@@H]2COC[C@H]2[NH2+]CC2CCCCC2)cc1 ZINC000019336217 368748563 /nfs/dbraw/zinc/74/85/63/368748563.db2.gz JSIVLNQLUYYRBY-DLBZAZTESA-N 1 0 277.383 3.478 40 0 CGABRO Cc1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000035681983 369004065 /nfs/dbraw/zinc/00/40/65/369004065.db2.gz BDARSKFJUUGBFY-ZQIUZPCESA-N 1 0 291.435 3.021 40 0 CGABRO [NH3+]CCSc1ccnc2c1cccc2C(F)(F)F ZINC000036533619 369022695 /nfs/dbraw/zinc/02/26/95/369022695.db2.gz QHLMVSIMKGPPLE-UHFFFAOYSA-N 1 0 272.295 3.304 40 0 CGABRO CCOc1cc(Cl)c(C[NH2+]CC(C)C)cc1OC ZINC000036612884 369023411 /nfs/dbraw/zinc/02/34/11/369023411.db2.gz AKBGZIGJTXADMJ-UHFFFAOYSA-N 1 0 271.788 3.493 40 0 CGABRO C[NH2+]CCSCc1ccc(Cl)c(Cl)c1 ZINC000036720698 369025844 /nfs/dbraw/zinc/02/58/44/369025844.db2.gz CQMCGHZHQFWPFF-UHFFFAOYSA-N 1 0 250.194 3.446 40 0 CGABRO CC(C)(C)OC(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC000067801238 369730317 /nfs/dbraw/zinc/73/03/17/369730317.db2.gz VLCMDCOFAPUDLE-UHFFFAOYSA-N 1 0 296.455 3.413 40 0 CGABRO c1cnc(N2CCCCCC2)c(C2=[NH+]CCCC2)c1 ZINC000072216713 369815236 /nfs/dbraw/zinc/81/52/36/369815236.db2.gz OULQPWKBKISVED-UHFFFAOYSA-N 1 0 257.381 3.435 40 0 CGABRO CC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215829 370209394 /nfs/dbraw/zinc/20/93/94/370209394.db2.gz YEAAFHQYCUNACY-HOCLYGCPSA-N 1 0 293.480 3.230 40 0 CGABRO Cc1c(C[NH2+]Cc2ccc(F)s2)cnn1C(C)C ZINC000256049509 190002189 /nfs/dbraw/zinc/00/21/89/190002189.db2.gz AGOGTWCLGLVEHW-UHFFFAOYSA-N 1 0 267.373 3.263 40 0 CGABRO Cc1cc(-c2cc(CC3CC[NH+](C(C)C)CC3)ccn2)n[nH]1 ZINC000257215573 190013414 /nfs/dbraw/zinc/01/34/14/190013414.db2.gz CQSCCTWXLCEOKL-UHFFFAOYSA-N 1 0 298.434 3.443 40 0 CGABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3cnccn3)C2)s1 ZINC000257242797 190018902 /nfs/dbraw/zinc/01/89/02/190018902.db2.gz IEEKJXFVDBCRPK-ZDUSSCGKSA-N 1 0 273.405 3.226 40 0 CGABRO Cc1nccc([C@@H]2CCC[N@H+](Cc3ccsc3)C2)n1 ZINC000257278239 190025486 /nfs/dbraw/zinc/02/54/86/190025486.db2.gz OBKQJYRHCAUSSP-CQSZACIVSA-N 1 0 273.405 3.226 40 0 CGABRO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257312974 190031793 /nfs/dbraw/zinc/03/17/93/190031793.db2.gz UQLZDIIIJHOBSP-CYBMUJFWSA-N 1 0 273.405 3.226 40 0 CGABRO CC[C@H](C)n1c(C)cc(C[NH2+]CCCOC)c1C ZINC000223676423 376258297 /nfs/dbraw/zinc/25/82/97/376258297.db2.gz HVUJVASQEJTISL-LBPRGKRZSA-N 1 0 252.402 3.202 40 0 CGABRO COc1ccc(C[NH2+]Cc2ccc(Cc3ccco3)[nH]2)cc1 ZINC000226021228 376338554 /nfs/dbraw/zinc/33/85/54/376338554.db2.gz ZMRRTVDDXYCRDO-UHFFFAOYSA-N 1 0 296.370 3.497 40 0 CGABRO CC[C@H](C)Oc1ccc([C@@H](C)[NH2+]CCOC)cc1 ZINC000225169715 376296530 /nfs/dbraw/zinc/29/65/30/376296530.db2.gz PEMSCOJQOXXGFM-QWHCGFSZSA-N 1 0 251.370 3.161 40 0 CGABRO C[C@@H]1CCCN([C@H](C[NH3+])c2ccccc2C(F)(F)F)C1 ZINC000242648493 376783102 /nfs/dbraw/zinc/78/31/02/376783102.db2.gz QXBLZPZKYKSHMT-BXUZGUMPSA-N 1 0 286.341 3.437 40 0 CGABRO CSc1ncc(C[NH2+]CCC2=CCCCC2)cn1 ZINC000062717254 392133756 /nfs/dbraw/zinc/13/37/56/392133756.db2.gz STZZTEJYQXOIOE-UHFFFAOYSA-N 1 0 263.410 3.179 40 0 CGABRO CSc1ncc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cn1 ZINC000062717197 392133837 /nfs/dbraw/zinc/13/38/37/392133837.db2.gz GTACHYXGQXDEEB-UHFFFAOYSA-N 1 0 289.448 3.257 40 0 CGABRO COc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072211710 392197420 /nfs/dbraw/zinc/19/74/20/392197420.db2.gz TWSOZIVUPGPZOL-INIZCTEOSA-N 1 0 268.360 3.427 40 0 CGABRO Cc1nc(N2CCCCC2)ccc1[C@H]1CCC[N@H+]1C ZINC000072219266 392200414 /nfs/dbraw/zinc/20/04/14/392200414.db2.gz CAFCKPSWNPUCGJ-OAHLLOKOSA-N 1 0 259.397 3.147 40 0 CGABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1NC(C)C ZINC000072221975 392201525 /nfs/dbraw/zinc/20/15/25/392201525.db2.gz ZMMVBXABBUJKCM-HNNXBMFYSA-N 1 0 255.365 3.258 40 0 CGABRO CC(C)N(Cc1cccc(Cl)c1Cl)C(=O)[C@H](C)[NH3+] ZINC000079420943 392220664 /nfs/dbraw/zinc/22/06/64/392220664.db2.gz XWDULXRPBMHTDO-VIFPVBQESA-N 1 0 289.206 3.078 40 0 CGABRO Cc1cc2[nH]c(-c3ccc[n+](C)c3)nc2cc1Cl ZINC000226774486 393015440 /nfs/dbraw/zinc/01/54/40/393015440.db2.gz JQPGNRBGPXBAML-UHFFFAOYSA-N 1 0 258.732 3.016 40 0 CGABRO C[C@@H]1CC(=O)N(CCC[NH+](C)C)c2ccc(Cl)cc21 ZINC000005515755 134657381 /nfs/dbraw/zinc/65/73/81/134657381.db2.gz LYVQJXHLQNIKIG-LLVKDONJSA-N 1 0 280.799 3.132 40 0 CGABRO CCOc1ccc(Cl)cc1-c1noc([C@H]2CCC[NH2+]2)n1 ZINC000072209126 397639997 /nfs/dbraw/zinc/63/99/97/397639997.db2.gz LFCZCKNFRHPTNB-LLVKDONJSA-N 1 0 293.754 3.213 40 0 CGABRO C[n+]1ccc(/C=C/c2c[nH]c3ccc(F)cc23)cc1 ZINC000006760768 170241663 /nfs/dbraw/zinc/24/16/63/170241663.db2.gz PKSQGPDOYRQCRI-UHFFFAOYSA-O 1 0 253.300 3.302 40 0 CGABRO CCOc1cc(C=O)ccc1OCCC[NH+](CC)CC ZINC000008731597 170351344 /nfs/dbraw/zinc/35/13/44/170351344.db2.gz QNRAXJXSSGLFBT-UHFFFAOYSA-N 1 0 279.380 3.009 40 0 CGABRO [NH3+]Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000020224346 171086963 /nfs/dbraw/zinc/08/69/63/171086963.db2.gz AUFKDUCYUOXKJL-UHFFFAOYSA-N 1 0 260.724 3.051 40 0 CGABRO CN1CCC[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000022036244 171350092 /nfs/dbraw/zinc/35/00/92/171350092.db2.gz AFLDZXAGUXBOJE-GOSISDBHSA-N 1 0 280.415 3.460 40 0 CGABRO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441209 173211221 /nfs/dbraw/zinc/21/12/21/173211221.db2.gz PURFUQMZTZSMDZ-HQJQHLMTSA-N 1 0 282.185 3.371 40 0 CGABRO CCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038858835 174157829 /nfs/dbraw/zinc/15/78/29/174157829.db2.gz XVPJZHMVULWMIX-QGZVFWFLSA-N 1 0 288.435 3.205 40 0 CGABRO C[N@@H+]1CC[C@H](NCc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000072341602 176371457 /nfs/dbraw/zinc/37/14/57/176371457.db2.gz MGDXGLUHKKGPKT-HKUYNNGSSA-N 1 0 298.405 3.403 40 0 CGABRO Cc1ccc(NC(=O)c2ccnc(C3CC[NH2+]CC3)c2)cc1 ZINC000072365586 176380802 /nfs/dbraw/zinc/38/08/02/176380802.db2.gz FVXGZXPQRRUJGK-UHFFFAOYSA-N 1 0 295.386 3.109 40 0 CGABRO Cc1ccsc1C[N@@H+]1CCC[C@H](c2cnccn2)C1 ZINC000072369370 176384153 /nfs/dbraw/zinc/38/41/53/176384153.db2.gz SXQZXDHIDRAXMO-ZDUSSCGKSA-N 1 0 273.405 3.226 40 0 CGABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072379097 176385480 /nfs/dbraw/zinc/38/54/80/176385480.db2.gz ADGHBWSYUQICKE-AWEZNQCLSA-N 1 0 270.380 3.157 40 0 CGABRO C[N@@H+]1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000072379102 176386255 /nfs/dbraw/zinc/38/62/55/176386255.db2.gz WXQJJSSNYRIPGZ-INIZCTEOSA-N 1 0 287.794 3.488 40 0 CGABRO Cc1cccc(C[N@@H+]2CCC[C@@H](Cc3cccnc3)C2)n1 ZINC000072385805 176390367 /nfs/dbraw/zinc/39/03/67/176390367.db2.gz VNIBATRLJZRPJX-KRWDZBQOSA-N 1 0 281.403 3.240 40 0 CGABRO O=C1C[C@H]([C@@H]2CCC[NH2+]C2)Oc2ccc3ccccc3c21 ZINC000013567019 275021016 /nfs/dbraw/zinc/02/10/16/275021016.db2.gz ISJDIJKPQDJCDQ-CXAGYDPISA-N 1 0 281.355 3.173 40 0 CGABRO O[C@@H]1CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]2C1 ZINC000005084610 275054218 /nfs/dbraw/zinc/05/42/18/275054218.db2.gz YZHQOLWNBFSHQZ-KYZVSKTDSA-N 1 0 296.414 3.248 40 0 CGABRO CC(C)(C)OC(=O)N1Cc2ccccc2C12CC[NH2+]CC2 ZINC000521396055 275521723 /nfs/dbraw/zinc/52/17/23/275521723.db2.gz OIWRWVYHGCNWLJ-UHFFFAOYSA-N 1 0 288.391 3.016 40 0 CGABRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]([NH3+])c2ccccc2)C1 ZINC000072208759 277186839 /nfs/dbraw/zinc/18/68/39/277186839.db2.gz WZTOZCUIWGDBRT-GJZGRUSLSA-N 1 0 290.407 3.334 40 0 CGABRO Cc1cc(N2CCCCC2)ncc1[C@H]1CCCC[NH2+]1 ZINC000072219233 280548880 /nfs/dbraw/zinc/54/88/80/280548880.db2.gz MRHZJXUINGHFBQ-OAHLLOKOSA-N 1 0 259.397 3.195 40 0 CGABRO [NH3+]C[C@@H]1CCCCN1Cc1c(Cl)cccc1Cl ZINC000020595608 295246177 /nfs/dbraw/zinc/24/61/77/295246177.db2.gz WSBCMOXOHCWALC-JTQLQIEISA-N 1 0 273.207 3.307 40 0 CGABRO Cc1cc(-c2cccc([C@@H]3CCC[N@H+]3C(C)C)n2)n[nH]1 ZINC000257280278 301034497 /nfs/dbraw/zinc/03/44/97/301034497.db2.gz OKHKXXOWLSUUOG-INIZCTEOSA-N 1 0 270.380 3.325 40 0 CGABRO C[NH+](C)CC[C@]1(C)OCCC2=C1Cc1ccccc12 ZINC000001566183 282114768 /nfs/dbraw/zinc/11/47/68/282114768.db2.gz AMJPIGOYWBNJLP-KRWDZBQOSA-N 1 0 257.377 3.127 40 0 in-man CGABRO C[C@@H]1C[C@](O)(Cc2cccc3ccccc32)[C@@H](C)C[N@@H+]1C ZINC000022002500 344893615 /nfs/dbraw/zinc/89/36/15/344893615.db2.gz NVBSQIZIZBOTAX-KHYOSLBOSA-N 1 0 283.415 3.474 40 0 CGABRO Cc1ccn2ncc(-c3cccc([C@H]4CCC[NH2+]C4)n3)c2c1 ZINC000585262813 346725700 /nfs/dbraw/zinc/72/57/00/346725700.db2.gz IISMHTMQJCPOKN-AWEZNQCLSA-N 1 0 292.386 3.172 40 0 CGABRO Cc1cnc(Nc2cccc([C@H]3CCC[N@@H+](C)C3)n2)s1 ZINC000585262535 346726060 /nfs/dbraw/zinc/72/60/60/346726060.db2.gz DHONIPVBMFPLAY-LBPRGKRZSA-N 1 0 288.420 3.399 40 0 CGABRO CC[NH+](CC)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289188 346726127 /nfs/dbraw/zinc/72/61/27/346726127.db2.gz FWLFOLQGUUWFGB-ARFHVFGLSA-N 1 0 297.826 3.343 40 0 CGABRO C=C(NCc1ccccc1)[NH2+]CCc1ccccc1 ZINC000584577509 346684465 /nfs/dbraw/zinc/68/44/65/346684465.db2.gz LBEXNHHBEQRDHZ-UHFFFAOYSA-N 1 0 252.361 3.080 40 0 CGABRO C[NH2+]C[C@H](OC(C)C)c1ccc(Br)cc1 ZINC000050483422 283587924 /nfs/dbraw/zinc/58/79/24/283587924.db2.gz YVUHKZSGYREHBF-LBPRGKRZSA-N 1 0 272.186 3.135 40 0 CGABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)s1 ZINC000121201056 370839948 /nfs/dbraw/zinc/83/99/48/370839948.db2.gz VELXBFCCPZAOEG-LBPRGKRZSA-N 1 0 261.394 3.159 40 0 CGABRO CCOC(=O)c1c2cc(OC)ccc2oc1C[NH2+]C(C)C ZINC000000036656 368274414 /nfs/dbraw/zinc/27/44/14/368274414.db2.gz FQSMXRNXIIQNNX-UHFFFAOYSA-N 1 0 291.347 3.116 40 0 CGABRO c1ccc(COCC[NH2+]CCOCc2ccccc2)cc1 ZINC000001649109 368426124 /nfs/dbraw/zinc/42/61/24/368426124.db2.gz VVXOXKRUYVRMDG-UHFFFAOYSA-N 1 0 285.387 3.010 40 0 CGABRO COC(=O)/C(=C\c1ccccc1)C[N@@H+]1CCCC[C@@H]1C ZINC000001759960 368438026 /nfs/dbraw/zinc/43/80/26/368438026.db2.gz CYTSEDNEUSSRPV-QXPQOBGOSA-N 1 0 273.376 3.117 40 0 CGABRO C[N@@H+]1CCO[C@H](c2ccccc2)c2ccsc2CC1 ZINC000005759113 368565124 /nfs/dbraw/zinc/56/51/24/368565124.db2.gz JEJCTUDPUWAFQR-MRXNPFEDSA-N 1 0 273.401 3.342 40 0 CGABRO Cc1ccc(CC[NH2+]Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000013998894 368673188 /nfs/dbraw/zinc/67/31/88/368673188.db2.gz KXHUMVLUODEIDY-UHFFFAOYSA-N 1 0 292.382 3.169 40 0 CGABRO CCN(CC[NH+](CC)CC)C(=O)Nc1ccc(C)cc1 ZINC000019074499 368744054 /nfs/dbraw/zinc/74/40/54/368744054.db2.gz HKUIIMUDDVWJCT-UHFFFAOYSA-N 1 0 277.412 3.191 40 0 CGABRO CC[C@H]1C[NH2+]Cc2cc3cc(C)cc(C)c3nc2O1 ZINC000019500976 368755503 /nfs/dbraw/zinc/75/55/03/368755503.db2.gz MVNGWVPNWIFKEI-AWEZNQCLSA-N 1 0 256.349 3.112 40 0 CGABRO Cc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)c(C(C)(C)C)c1 ZINC000026781087 368863960 /nfs/dbraw/zinc/86/39/60/368863960.db2.gz JIHBOMJEZQHCJN-AWEZNQCLSA-N 1 0 293.451 3.420 40 0 CGABRO CCCCCc1cc(OC)c(C[C@@H](C)[NH3+])cc1OC ZINC000027759557 368875269 /nfs/dbraw/zinc/87/52/69/368875269.db2.gz VLJORLCVOAUUKM-GFCCVEGCSA-N 1 0 265.397 3.326 40 0 in-vitro CGABRO CC[NH+](CC)CCCNc1nnc(-c2ccccc2)s1 ZINC000028247010 368883826 /nfs/dbraw/zinc/88/38/26/368883826.db2.gz PYOMSYVTMCSRBJ-UHFFFAOYSA-N 1 0 290.436 3.349 40 0 CGABRO [NH3+]C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCCC1 ZINC000037424721 369085041 /nfs/dbraw/zinc/08/50/41/369085041.db2.gz ILAKADBIJAKXKR-LBPRGKRZSA-N 1 0 259.180 3.089 40 0 CGABRO CC(C)(C)OC(=O)CC[NH2+]CCc1c[nH]c2ccccc12 ZINC000047218995 369309769 /nfs/dbraw/zinc/30/97/69/369309769.db2.gz VGWVBSXEWDSKNB-UHFFFAOYSA-N 1 0 288.391 3.032 40 0 CGABRO Fc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccncc4)C3)nc2c1 ZINC000049169015 369391235 /nfs/dbraw/zinc/39/12/35/369391235.db2.gz WJWWJDLOGZKUDN-ZDUSSCGKSA-N 1 0 296.349 3.087 40 0 biogenic,in-vitro CGABRO c1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)cc1 ZINC000062718631 369630187 /nfs/dbraw/zinc/63/01/87/369630187.db2.gz HMOCBYANUIPIEA-UHFFFAOYSA-N 1 0 265.360 3.285 40 0 CGABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000067799683 369728796 /nfs/dbraw/zinc/72/87/96/369728796.db2.gz YCBXPEKBHCIVSZ-SECBINFHSA-N 1 0 292.732 3.153 40 0 CGABRO Fc1cccc2c1NCC21CC[NH+](Cc2cccnc2)CC1 ZINC000096261776 370208583 /nfs/dbraw/zinc/20/85/83/370208583.db2.gz ZSLFRMNHKTXFCA-UHFFFAOYSA-N 1 0 297.377 3.180 40 0 CGABRO [NH3+][C@@H]1C=C(C(F)(F)F)NC=C1c1ccc(Cl)cc1 ZINC000101027456 370285949 /nfs/dbraw/zinc/28/59/49/370285949.db2.gz PZBXEAVBSGAFGA-SNVBAGLBSA-N 1 0 274.673 3.058 40 0 CGABRO C[N@@H+]1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306136606 374127688 /nfs/dbraw/zinc/12/76/88/374127688.db2.gz PXZUHTAOXJWPOH-ZDUSSCGKSA-N 1 0 298.415 3.267 40 0 CGABRO c1nn(C2CCCC2)cc1C[NH2+]CCc1ccccc1 ZINC000256049542 190002158 /nfs/dbraw/zinc/00/21/58/190002158.db2.gz AJTVYTXKEHDZIK-UHFFFAOYSA-N 1 0 269.392 3.331 40 0 CGABRO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3sccc3C)C2)n1 ZINC000257199778 190010604 /nfs/dbraw/zinc/01/06/04/190010604.db2.gz AAUCCQACEDNEHL-CYBMUJFWSA-N 1 0 275.421 3.088 40 0 CGABRO CC(C)n1nccc1-c1cccc([C@H]2CCC[N@H+](C)C2)n1 ZINC000257214585 190012955 /nfs/dbraw/zinc/01/29/55/190012955.db2.gz CMOARKOIDLTJDJ-AWEZNQCLSA-N 1 0 284.407 3.335 40 0 CGABRO Cc1nc(-c2cc(C3CC[NH2+]CC3)ccn2)sc1C ZINC000257220005 190014093 /nfs/dbraw/zinc/01/40/93/190014093.db2.gz DJEFWLNNKLDZCM-UHFFFAOYSA-N 1 0 273.405 3.289 40 0 CGABRO CCCn1nccc1-c1cc(C[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000257295922 190028217 /nfs/dbraw/zinc/02/82/17/190028217.db2.gz RALMITQBSREZPE-MRXNPFEDSA-N 1 0 298.434 3.239 40 0 CGABRO Cc1c[nH]c([C@H]2CC[N@H+](CCCc3ccccc3)C2)n1 ZINC000257298618 190029116 /nfs/dbraw/zinc/02/91/16/190029116.db2.gz RMNFMXJPZLENLZ-INIZCTEOSA-N 1 0 269.392 3.140 40 0 CGABRO Clc1ccccc1C[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257339769 190037031 /nfs/dbraw/zinc/03/70/31/190037031.db2.gz ZDCDEPACSKXPDL-LBPRGKRZSA-N 1 0 265.784 3.041 40 0 CGABRO CC(C)c1ccc(OCc2cc([C@@H]3CC[NH2+]C3)n[nH]2)cc1 ZINC000257344690 190037930 /nfs/dbraw/zinc/03/79/30/190037930.db2.gz ZYHOOOLIOXIEED-CQSZACIVSA-N 1 0 285.391 3.189 40 0 CGABRO CCC[NH2+]Cc1c(C)n(C)c2ccc(OCC)cc21 ZINC000223766083 376262145 /nfs/dbraw/zinc/26/21/45/376262145.db2.gz GDLBWRLTVZEPAQ-UHFFFAOYSA-N 1 0 260.381 3.385 40 0 CGABRO C[NH+]1CCC(Oc2ccc(NC(=O)C(C)(C)C)cc2)CC1 ZINC000224599349 376284155 /nfs/dbraw/zinc/28/41/55/376284155.db2.gz MTBNGFWZPBOVEB-UHFFFAOYSA-N 1 0 290.407 3.144 40 0 CGABRO CC(C)(C)OC(=O)N1CCC([C@H]([NH3+])c2ccccc2)CC1 ZINC000071646792 392192135 /nfs/dbraw/zinc/19/21/35/392192135.db2.gz WTARUKRBKMNNAD-OAHLLOKOSA-N 1 0 290.407 3.334 40 0 CGABRO CN(C)c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072212645 392198978 /nfs/dbraw/zinc/19/89/78/392198978.db2.gz QCIWXTBIAIUAHA-KRWDZBQOSA-N 1 0 281.403 3.485 40 0 CGABRO CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1C ZINC000072214484 392199029 /nfs/dbraw/zinc/19/90/29/392199029.db2.gz BUVCPTNWBRLHEV-CYBMUJFWSA-N 1 0 291.395 3.220 40 0 CGABRO CC[N@@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216034 392200498 /nfs/dbraw/zinc/20/04/98/392200498.db2.gz IXTPLFKJESMBKL-HNNXBMFYSA-N 1 0 259.397 3.229 40 0 CGABRO Cc1cc(NC(C)C)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223014 392203171 /nfs/dbraw/zinc/20/31/71/392203171.db2.gz LRDUUQMYSPWMKG-INIZCTEOSA-N 1 0 255.365 3.258 40 0 CGABRO CC[N@@H+]1CCC[C@@H]1COCc1cccc(Br)c1 ZINC000096525817 392257687 /nfs/dbraw/zinc/25/76/87/392257687.db2.gz JGWOLPIDJOUCBL-CQSZACIVSA-N 1 0 298.224 3.450 40 0 CGABRO CCC(=O)OC1(c2ccccc2)[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000004712833 170003624 /nfs/dbraw/zinc/00/36/24/170003624.db2.gz BNLWVZWKDILPMJ-VMZNBEPHSA-N 1 0 275.392 3.053 40 0 CGABRO CCCCCOC(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000004742749 170009531 /nfs/dbraw/zinc/00/95/31/170009531.db2.gz QPIHQPSZIGFZSL-AWEZNQCLSA-N 1 0 272.433 3.413 40 0 CGABRO CC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)[C@H]2CCCC[C@@H]21 ZINC000005008142 170054725 /nfs/dbraw/zinc/05/47/25/170054725.db2.gz TYRBZUUHADCCGQ-OKZBNKHCSA-N 1 0 287.403 3.339 40 0 CGABRO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000006363786 170194992 /nfs/dbraw/zinc/19/49/92/170194992.db2.gz GKBCORDGERFHGG-AWEZNQCLSA-N 1 0 279.424 3.231 40 0 CGABRO C[NH+](C)CC[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000006437075 170201454 /nfs/dbraw/zinc/20/14/54/170201454.db2.gz DWURDFRXEBBVGU-GOSISDBHSA-N 1 0 269.388 3.069 40 0 CGABRO COCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000006483001 170204935 /nfs/dbraw/zinc/20/49/35/170204935.db2.gz JZUNYBZRTRVWQX-QGZVFWFLSA-N 1 0 255.361 3.206 40 0 CGABRO CC[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000006497342 170206939 /nfs/dbraw/zinc/20/69/39/170206939.db2.gz XBBIWAPCOIUKMF-UHFFFAOYSA-N 1 0 271.360 3.384 40 0 CGABRO Oc1ccc(C[NH2+]C2CCCCC2)c2cccnc12 ZINC000006815917 170246248 /nfs/dbraw/zinc/24/62/48/170246248.db2.gz SSQATEUQFHACCN-UHFFFAOYSA-N 1 0 256.349 3.363 40 0 CGABRO Cc1ccc(NC(=S)NCCC[NH+]2CCCC2)cc1C ZINC000007026920 170262831 /nfs/dbraw/zinc/26/28/31/170262831.db2.gz YTHCQYWYBFDJKQ-UHFFFAOYSA-N 1 0 291.464 3.076 40 0 CGABRO CCOc1ccc2ccccc2c1CNCCC[NH+](C)C ZINC000008325074 170331427 /nfs/dbraw/zinc/33/14/27/170331427.db2.gz APAZQWNBOXKHPY-UHFFFAOYSA-N 1 0 286.419 3.280 40 0 CGABRO Cc1cc(C)[n+](C)c(/C=C/c2ccccc2Cl)n1 ZINC000008580730 170341636 /nfs/dbraw/zinc/34/16/36/170341636.db2.gz PRZHHUKSJWYGFR-CMDGGOBGSA-N 1 0 259.760 3.347 40 0 CGABRO CC(C)[N@@H+]1C[C@H](C)[C@@H](OC(=O)c2ccccc2)C[C@@H]1C ZINC000013118662 170533207 /nfs/dbraw/zinc/53/32/07/170533207.db2.gz OCFLFQDQCLZABG-DZKIICNBSA-N 1 0 275.392 3.351 40 0 CGABRO c1ccc(OC2CCCC2)c(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000032121892 171712337 /nfs/dbraw/zinc/71/23/37/171712337.db2.gz MOYXOQRYIBBDPB-INIZCTEOSA-N 1 0 275.392 3.277 40 0 CGABRO CC1CC[NH+](Cc2ccc(N)cc2Br)CC1 ZINC000037460433 173224000 /nfs/dbraw/zinc/22/40/00/173224000.db2.gz BUOHBROECBVBKE-UHFFFAOYSA-N 1 0 283.213 3.263 40 0 CGABRO [NH3+]C[C@H](c1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000038809041 174156693 /nfs/dbraw/zinc/15/66/93/174156693.db2.gz DDEHZTKEVRKRDX-CYBMUJFWSA-N 1 0 273.207 3.479 40 0 CGABRO [NH3+][C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1 ZINC000072171761 176332902 /nfs/dbraw/zinc/33/29/02/176332902.db2.gz FEABGXGNJUOXAX-SWLSCSKDSA-N 1 0 275.298 3.358 40 0 CGABRO Cc1ccc([C@@H](C)CCN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000072324753 176369904 /nfs/dbraw/zinc/36/99/04/176369904.db2.gz WBHMAMYMGDAOEJ-LZWOXQAQSA-N 1 0 276.424 3.250 40 0 CGABRO c1ccc(Cc2cccc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000072348396 176373276 /nfs/dbraw/zinc/37/32/76/176373276.db2.gz MWMDANBOGDCUKC-HNNXBMFYSA-N 1 0 252.361 3.139 40 0 CGABRO Fc1cccc(Cc2cccc(C3CC[NH2+]CC3)n2)c1 ZINC000072356420 176375545 /nfs/dbraw/zinc/37/55/45/176375545.db2.gz QVXJURKTWRFABN-UHFFFAOYSA-N 1 0 270.351 3.279 40 0 CGABRO Fc1ccc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000072356393 176375605 /nfs/dbraw/zinc/37/56/05/176375605.db2.gz KNKVTHFHZCGHNK-CYBMUJFWSA-N 1 0 256.324 3.355 40 0 CGABRO Cc1ccnc(C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000072363750 176378471 /nfs/dbraw/zinc/37/84/71/176378471.db2.gz COIOHZMIWNKWJG-UHFFFAOYSA-N 1 0 281.403 3.207 40 0 CGABRO C[N@@H+]1CCC[C@H](c2ccnc(Nc3ccccn3)c2)C1 ZINC000072364719 176379652 /nfs/dbraw/zinc/37/96/52/176379652.db2.gz HOHMQSMIZHSTHM-AWEZNQCLSA-N 1 0 268.364 3.029 40 0 CGABRO Cc1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)ccn1 ZINC000072367931 176382233 /nfs/dbraw/zinc/38/22/33/176382233.db2.gz XKZLGHCNPWKEQT-QGZVFWFLSA-N 1 0 267.376 3.165 40 0 CGABRO C[N@@H+]1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 ZINC000072367693 176382663 /nfs/dbraw/zinc/38/26/63/176382663.db2.gz LNTYSVLORHGMFI-LLVKDONJSA-N 1 0 274.393 3.091 40 0 CGABRO COc1cccc(C=O)c1OCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000217787836 262344511 /nfs/dbraw/zinc/34/45/11/262344511.db2.gz QENPFQRUWYTOOE-KBPBESRZSA-N 1 0 291.391 3.149 40 0 CGABRO Fc1cccc(-c2cc3nccc([C@@H]4CCC[NH2+]C4)n3n2)c1 ZINC000012154358 274914115 /nfs/dbraw/zinc/91/41/15/274914115.db2.gz QKHSYOOGFLELNC-CYBMUJFWSA-N 1 0 296.349 3.002 40 0 CGABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215925 277394445 /nfs/dbraw/zinc/39/44/45/277394445.db2.gz XOEXRWPHRNEPHD-MRXNPFEDSA-N 1 0 273.424 3.475 40 0 CGABRO COc1ccc([C@@H]2C[NH2+]Cc3ccccc3C2)cc1 ZINC000096524363 277928317 /nfs/dbraw/zinc/92/83/17/277928317.db2.gz PSWHVGGLGKTPQT-INIZCTEOSA-N 1 0 253.345 3.125 40 0 CGABRO C[n+]1cc(Br)cc(-c2nc3ccccc3o2)c1 ZINC000226774729 280181141 /nfs/dbraw/zinc/18/11/41/280181141.db2.gz JGUUWRROLTZOKP-UHFFFAOYSA-N 1 0 290.140 3.082 40 0 CGABRO c1cnc(N2CCCCCC2)c([C@H]2CCCC[NH2+]2)c1 ZINC000072216715 304860115 /nfs/dbraw/zinc/86/01/15/304860115.db2.gz ADUHBQUBSLKFLW-OAHLLOKOSA-N 1 0 259.397 3.277 40 0 CGABRO FC(F)(F)c1ccc(N2CC[NH2+][C@H]3CCC[C@H]32)cc1 ZINC000218848293 333137205 /nfs/dbraw/zinc/13/72/05/333137205.db2.gz ONTIEQYSBBOIJQ-QWHCGFSZSA-N 1 0 270.298 3.036 40 0 CGABRO CC(C)Nc1ncc(C[NH2+][C@@H](C)CCc2ccccc2)cn1 ZINC000062717649 333176067 /nfs/dbraw/zinc/17/60/67/333176067.db2.gz CMEDETPYEUHVHN-HNNXBMFYSA-N 1 0 298.434 3.408 40 0 CGABRO Brc1cccc(-c2cc[n+]3ccccc3n2)c1 ZINC000002385046 500571278 /nfs/dbraw/zinc/57/12/78/500571278.db2.gz SCEDXYCLWFDCLN-UHFFFAOYSA-N 1 0 286.152 3.250 40 0 CGABRO Cc1cc(NCC[NH3+])c2ccc(Cl)c(Cl)c2n1 ZINC000222688981 230398364 /nfs/dbraw/zinc/39/83/64/230398364.db2.gz NFJMYVMORFBRCI-UHFFFAOYSA-N 1 0 270.163 3.221 40 0 CGABRO CC(C)OC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096040495 185068976 /nfs/dbraw/zinc/06/89/76/185068976.db2.gz KDBLBJLALHWEKL-IAGOWNOFSA-N 1 0 293.407 3.076 40 0 CGABRO Cc1cc(N)c(N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000226218674 346306671 /nfs/dbraw/zinc/30/66/71/346306671.db2.gz LMUPDUKNHVUTQI-UHFFFAOYSA-N 1 0 295.430 3.208 40 0 CGABRO CN(C)c1ccc2c(c1)S[C@@H]1CC(=[NH2+])CC[C@H]1N2 ZINC000604940883 348138885 /nfs/dbraw/zinc/13/88/85/348138885.db2.gz AVOGIHRAPDCQKW-DGCLKSJQSA-N 1 0 261.394 3.211 40 0 CGABRO CCC[N@@H+]1CCCC[C@@H]1c1cnc(N(C)C)cc1C ZINC000072218698 283321510 /nfs/dbraw/zinc/32/15/10/283321510.db2.gz KJZLPTJXGMBIKV-OAHLLOKOSA-N 1 0 261.413 3.393 40 0 CGABRO CC[C@@H](C)[C@H](C(=O)OC1CC[NH+](C)CC1)c1ccccc1 ZINC000000000594 368269508 /nfs/dbraw/zinc/26/95/08/368269508.db2.gz UKQYEYCQIQBHBC-PBHICJAKSA-N 1 0 289.419 3.454 40 0 in-man CGABRO C[NH+](C)[C@@H]1Cc2ccccc2[C@H]1OC(=O)c1ccccc1 ZINC000001568910 368419062 /nfs/dbraw/zinc/41/90/62/368419062.db2.gz XHYXVRAZPBSVMR-IAGOWNOFSA-N 1 0 281.355 3.071 40 0 CGABRO COc1cc2cccnc2c(N[C@H](C)C[NH2+]C(C)C)c1 ZINC000001591896 368422033 /nfs/dbraw/zinc/42/20/33/368422033.db2.gz CKCYYZHGPJOUJC-GFCCVEGCSA-N 1 0 273.380 3.042 40 0 CGABRO COCC[N@H+](C)[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001667044 368427978 /nfs/dbraw/zinc/42/79/78/368427978.db2.gz HSDWGNMSFYTZSY-QZTJIDSGSA-N 1 0 285.387 3.040 40 0 CGABRO COc1ccc([C@H](O)C[NH+]2CCCCC2)c2c1CCCC2 ZINC000001683262 368431645 /nfs/dbraw/zinc/43/16/45/368431645.db2.gz YLJPRVSNUIQZAV-QGZVFWFLSA-N 1 0 289.419 3.093 40 0 CGABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000002694453 368473149 /nfs/dbraw/zinc/47/31/49/368473149.db2.gz KCXDJIWVKTZZAH-CABCVRRESA-N 1 0 277.408 3.036 40 0 CGABRO COc1ccc2cc(Br)ccc2c1C[NH3+] ZINC000004228061 368538517 /nfs/dbraw/zinc/53/85/17/368538517.db2.gz SGEOGQKWUNGCNT-UHFFFAOYSA-N 1 0 266.138 3.070 40 0 CGABRO c1csc(C[NH+]2CCC(n3cnc4cccnc43)CC2)c1 ZINC000012114637 368603137 /nfs/dbraw/zinc/60/31/37/368603137.db2.gz UDLAEKTWRGKVCU-UHFFFAOYSA-N 1 0 298.415 3.330 40 0 CGABRO CCC[C@H](C(=O)c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000013682087 368660516 /nfs/dbraw/zinc/66/05/16/368660516.db2.gz HWYVHRCKBXGZLV-OAHLLOKOSA-N 1 0 261.365 3.142 40 0 in-vitro CGABRO COc1ccccc1OCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000015423536 368694953 /nfs/dbraw/zinc/69/49/53/368694953.db2.gz RRTSOMHWRQVDPW-UHFFFAOYSA-N 1 0 296.370 3.345 40 0 CGABRO CC[N@H+](C[C@H](O)COc1ccccc1C)C1CCCCC1 ZINC000016758596 368721428 /nfs/dbraw/zinc/72/14/28/368721428.db2.gz JZFIWEOJQARWKY-KRWDZBQOSA-N 1 0 291.435 3.389 40 0 CGABRO Cc1ccc(OC[C@H](O)C[NH+]2CCCC2)c(C(C)(C)C)c1 ZINC000026781113 368863789 /nfs/dbraw/zinc/86/37/89/368863789.db2.gz RQDWJXHTEFYTDU-OAHLLOKOSA-N 1 0 291.435 3.128 40 0 CGABRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)nc1 ZINC000027979601 368879833 /nfs/dbraw/zinc/87/98/33/368879833.db2.gz YPPUFPXUTHREKJ-UHFFFAOYSA-N 1 0 299.374 3.221 40 0 CGABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ccccc1 ZINC000027984098 368879986 /nfs/dbraw/zinc/87/99/86/368879986.db2.gz QQZUVNPZNYNQKE-CQSZACIVSA-N 1 0 298.386 3.366 40 0 CGABRO Cc1ccc(C(=O)[C@@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000041608282 369192965 /nfs/dbraw/zinc/19/29/65/369192965.db2.gz KWHZRPBDEAQYDE-CQSZACIVSA-N 1 0 253.345 3.356 40 0 in-vitro CGABRO [NH3+][C@@H](c1ccc(C(F)(F)F)cc1)c1cccnc1 ZINC000055205691 369513161 /nfs/dbraw/zinc/51/31/61/369513161.db2.gz LQWFYKWWZGFHBJ-LBPRGKRZSA-N 1 0 252.239 3.149 40 0 CGABRO CC(C)c1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000074920997 369890324 /nfs/dbraw/zinc/89/03/24/369890324.db2.gz FEOCMUQEVZKELP-UHFFFAOYSA-N 1 0 274.408 3.480 40 0 CGABRO CC(C)N(CC1CC[NH2+]CC1)C(=O)OCc1ccccc1 ZINC000079437854 369969053 /nfs/dbraw/zinc/96/90/53/369969053.db2.gz NLZNXIRZFYQHML-UHFFFAOYSA-N 1 0 290.407 3.033 40 0 CGABRO c1ccc2c3nc([C@H]4CCC[NH2+]C4)oc3ccc2c1 ZINC000075869887 369919278 /nfs/dbraw/zinc/91/92/78/369919278.db2.gz MMTYZZFTDCGXSU-LBPRGKRZSA-N 1 0 252.317 3.448 40 0 CGABRO C[N@@H+]1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000082337874 370002105 /nfs/dbraw/zinc/00/21/05/370002105.db2.gz HHUIMFXANRBIGA-VIFPVBQESA-N 1 0 287.190 3.274 40 0 CGABRO CCOc1ccc(C[NH2+]Cc2cc(C(C)C)nn2C)cc1 ZINC000256053719 190005175 /nfs/dbraw/zinc/00/51/75/190005175.db2.gz SONYVELWOZXOPQ-UHFFFAOYSA-N 1 0 287.407 3.232 40 0 CGABRO CCCn1cc(C[NH2+]Cc2cc(F)cc(F)c2)c(C)n1 ZINC000256050609 190002886 /nfs/dbraw/zinc/00/28/86/190002886.db2.gz FTAJCBXLZBRHML-UHFFFAOYSA-N 1 0 279.334 3.170 40 0 CGABRO CC[C@H](C)n1nccc1C[NH2+]CCc1cccc(OC)c1 ZINC000256055165 190005648 /nfs/dbraw/zinc/00/56/48/190005648.db2.gz ZMZCMJMFAQDXGE-AWEZNQCLSA-N 1 0 287.407 3.195 40 0 CGABRO Cc1nccc([C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000257217596 190014048 /nfs/dbraw/zinc/01/40/48/190014048.db2.gz CZQSDIBZZFXGSG-CYBMUJFWSA-N 1 0 273.405 3.226 40 0 CGABRO Cc1cc(-c2ncccc2CC2CC[NH+](C(C)C)CC2)n[nH]1 ZINC000257228198 190015990 /nfs/dbraw/zinc/01/59/90/190015990.db2.gz FSUCMTNTJLOLSZ-UHFFFAOYSA-N 1 0 298.434 3.443 40 0 CGABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000257242331 190018402 /nfs/dbraw/zinc/01/84/02/190018402.db2.gz IBYGNWQTSZCXBH-MRXNPFEDSA-N 1 0 292.386 3.256 40 0 CGABRO CNc1nccc([C@@H]2CCCC[N@@H+]2Cc2cccs2)n1 ZINC000257243994 190019004 /nfs/dbraw/zinc/01/90/04/190019004.db2.gz IJLJIMQUBVJEQF-AWEZNQCLSA-N 1 0 288.420 3.307 40 0 CGABRO Cc1csc(-c2ccc(C[C@H]3CCC[NH2+]C3)cn2)n1 ZINC000257248534 190019940 /nfs/dbraw/zinc/01/99/40/190019940.db2.gz JEBYDOOAJPZMJN-GFCCVEGCSA-N 1 0 273.405 3.056 40 0 CGABRO c1cnc2ccc(C[N@@H+]3CCC[C@H]3c3ccncn3)cc2c1 ZINC000257277930 190025251 /nfs/dbraw/zinc/02/52/51/190025251.db2.gz OABMDZBNQWBWFK-SFHVURJKSA-N 1 0 290.370 3.362 40 0 CGABRO CC(C)c1nccn1-c1ccnc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000257293099 190028375 /nfs/dbraw/zinc/02/83/75/190028375.db2.gz QOCNTJMKSXSVGV-CQSZACIVSA-N 1 0 284.407 3.200 40 0 CGABRO Cc1cc(-c2ccc(CC3CC[NH+](C(C)C)CC3)cn2)n[nH]1 ZINC000257298616 190029405 /nfs/dbraw/zinc/02/94/05/190029405.db2.gz RMNDEPMBCNZXQM-UHFFFAOYSA-N 1 0 298.434 3.443 40 0 CGABRO c1cc(NC2CC3(C2)CC[N@@H+](C2CCCCC2)C3)ncn1 ZINC000257330438 190035533 /nfs/dbraw/zinc/03/55/33/190035533.db2.gz XOLHOJXAQZVSPB-UHFFFAOYSA-N 1 0 286.423 3.076 40 0 CGABRO Cc1nc(-c2cccc(C3CC[NH2+]CC3)n2)sc1C ZINC000257335187 190036275 /nfs/dbraw/zinc/03/62/75/190036275.db2.gz YIZHYPRJQBAELH-UHFFFAOYSA-N 1 0 273.405 3.289 40 0 CGABRO CCOc1cc(C=O)ccc1OCCCC[NH+](CC)CC ZINC000217798281 376180343 /nfs/dbraw/zinc/18/03/43/376180343.db2.gz TXRVZHYAUVMFRQ-UHFFFAOYSA-N 1 0 293.407 3.399 40 0 CGABRO CCCn1c(C)c(C[NH2+]C)c2cc(OCC)ccc21 ZINC000223758913 376261910 /nfs/dbraw/zinc/26/19/10/376261910.db2.gz VEDUIHFXBVPDJS-UHFFFAOYSA-N 1 0 260.381 3.478 40 0 CGABRO COCCC[NH2+][C@@H](C)c1cccc(OCC(C)C)c1 ZINC000225166869 376297306 /nfs/dbraw/zinc/29/73/06/376297306.db2.gz JMBPGGQXRKNPMM-AWEZNQCLSA-N 1 0 265.397 3.409 40 0 CGABRO Cc1nc(NC(C)C)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224056 256705342 /nfs/dbraw/zinc/70/53/42/256705342.db2.gz GCEVYSPBIHOVSA-INIZCTEOSA-N 1 0 255.365 3.258 40 0 CGABRO C[NH+](C)C[C@@H](O)c1ccc2oc3ccccc3c2c1 ZINC000002004267 391913711 /nfs/dbraw/zinc/91/37/11/391913711.db2.gz WBDAUDFPTHOOIE-CQSZACIVSA-N 1 0 255.317 3.181 40 0 CGABRO C[NH+](C)CCOc1ccc(/C=C\c2ccccn2)cc1 ZINC000004962006 391922869 /nfs/dbraw/zinc/92/28/69/391922869.db2.gz MWPSXBFRULQESJ-TWGQIWQCSA-N 1 0 268.360 3.192 40 0 CGABRO C[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc21 ZINC000048772042 392014808 /nfs/dbraw/zinc/01/48/08/392014808.db2.gz UWQNHCGYLKJHNP-QGZVFWFLSA-N 1 0 253.345 3.472 40 0 CGABRO CC(C)C[N@@H+]1CC[C@H](c2nc3ccccc3n2C)C1 ZINC000049171183 392037283 /nfs/dbraw/zinc/03/72/83/392037283.db2.gz OHVNLAKCDMGVLH-ZDUSSCGKSA-N 1 0 257.381 3.019 40 0 biogenic,in-vitro CGABRO CC[C@@H]([NH3+])c1cnc(N(C)Cc2ccccc2)c(C)c1 ZINC000072222365 392201994 /nfs/dbraw/zinc/20/19/94/392201994.db2.gz BPQVWWFVDVOBQX-MRXNPFEDSA-N 1 0 269.392 3.436 40 0 CGABRO CC(C)OC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096040496 392245437 /nfs/dbraw/zinc/24/54/37/392245437.db2.gz KDBLBJLALHWEKL-IRXDYDNUSA-N 1 0 293.407 3.076 40 0 CGABRO Cc1cn(C)c([C@@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000257322535 393135937 /nfs/dbraw/zinc/13/59/37/393135937.db2.gz WGJQSMDJEPZDEN-INIZCTEOSA-N 1 0 269.392 3.108 40 0 CGABRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccncc2)cc1C ZINC000023247739 292098413 /nfs/dbraw/zinc/09/84/13/292098413.db2.gz WMTXXHIFEBNRMV-UHFFFAOYSA-N 1 0 297.446 3.262 40 0 CGABRO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000006455113 397603301 /nfs/dbraw/zinc/60/33/01/397603301.db2.gz CLGXEJOPRIEXHR-CVEARBPZSA-N 1 0 291.435 3.282 40 0 CGABRO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000006455765 397603322 /nfs/dbraw/zinc/60/33/22/397603322.db2.gz CLGXEJOPRIEXHR-HOTGVXAUSA-N 1 0 291.435 3.282 40 0 CGABRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]([NH3+])C(C)(C)C)C1 ZINC000072208764 397640143 /nfs/dbraw/zinc/64/01/43/397640143.db2.gz JWFFWWIRWVCUFP-RYUDHWBXSA-N 1 0 270.417 3.007 40 0 CGABRO CCOC(=O)C[C@H](c1ccc(OC)cc1)[NH+](CC)CC ZINC000072210309 397640558 /nfs/dbraw/zinc/64/05/58/397640558.db2.gz NCFSJGNMLWASPR-OAHLLOKOSA-N 1 0 279.380 3.031 40 0 CGABRO Cc1ccc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1C ZINC000005073868 292167653 /nfs/dbraw/zinc/16/76/53/292167653.db2.gz XDHQBIZRSSEWNK-ULQDDVLXSA-N 1 0 291.435 3.306 40 0 CGABRO Cc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3C[NH2+]CC[C@H]3O[C@@H]21 ZINC000257226695 292336306 /nfs/dbraw/zinc/33/63/06/292336306.db2.gz FLTCRWZZLXOFEK-CRNXPOROSA-N 1 0 287.403 3.222 40 0 CGABRO CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)C[NH2+]C1CCCCC1 ZINC000005000562 170052623 /nfs/dbraw/zinc/05/26/23/170052623.db2.gz BIEGZKOQZDVENG-QWQRMKEZSA-N 1 0 292.467 3.240 40 0 CGABRO CC[C@@H](OC[C@@H](O)C[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000006356113 170195106 /nfs/dbraw/zinc/19/51/06/170195106.db2.gz RNHFVWMMSZZINT-RYQLBKOJSA-N 1 0 291.435 3.247 40 0 CGABRO C[C@H](COCc1ccccc1)[NH2+]Cc1ccccc1 ZINC000006443086 170201755 /nfs/dbraw/zinc/20/17/55/170201755.db2.gz JFNYLCUFOQTHFC-OAHLLOKOSA-N 1 0 255.361 3.382 40 0 CGABRO Cc1cccc(-c2cc[n+]3cc(Cl)ccc3n2)c1 ZINC000008320888 170330867 /nfs/dbraw/zinc/33/08/67/170330867.db2.gz BETBFQADWVOZQE-UHFFFAOYSA-N 1 0 255.728 3.449 40 0 CGABRO C[C@H]1C[C@H](C)C[NH+](CCCOc2cccc(C=O)c2)C1 ZINC000009261548 170369561 /nfs/dbraw/zinc/36/95/61/170369561.db2.gz KJBAYMCRJXSYAF-GJZGRUSLSA-N 1 0 275.392 3.246 40 0 CGABRO Cc1ccc(C)c([C@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000022126752 171354676 /nfs/dbraw/zinc/35/46/76/171354676.db2.gz KFFYFKUUFSRPDS-IBGZPJMESA-N 1 0 280.415 3.298 40 0 CGABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccccc2)C1 ZINC000044080772 175141083 /nfs/dbraw/zinc/14/10/83/175141083.db2.gz GUOZBHWBIPIHHG-CQSZACIVSA-N 1 0 291.464 3.095 40 0 CGABRO Fc1ccccc1Cc1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072356415 176375551 /nfs/dbraw/zinc/37/55/51/176375551.db2.gz ALLRCLGTWNWBQX-AWEZNQCLSA-N 1 0 270.351 3.279 40 0 CGABRO Cc1cccc(Nc2cc(C)nc([C@@H]3CCC[N@@H+](C)C3)n2)n1 ZINC000072359943 176377014 /nfs/dbraw/zinc/37/70/14/176377014.db2.gz PLYRWKFUGQZMGC-CQSZACIVSA-N 1 0 297.406 3.041 40 0 CGABRO C[N@@H+]1CCC[C@H](c2cccc(Oc3cccnc3)n2)C1 ZINC000072365069 176379987 /nfs/dbraw/zinc/37/99/87/176379987.db2.gz WXGXKTHHXUBWTB-ZDUSSCGKSA-N 1 0 269.348 3.078 40 0 CGABRO Cc1ccc(Nc2nccc([C@@H]3CCC[N@H+]3C(C)C)n2)nc1 ZINC000072377454 176385759 /nfs/dbraw/zinc/38/57/59/176385759.db2.gz NLATYIRTCIFXSN-HNNXBMFYSA-N 1 0 297.406 3.469 40 0 CGABRO Cc1cc(C)nc([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000072384955 176388744 /nfs/dbraw/zinc/38/87/44/176388744.db2.gz FLVPXSIIJIMHOM-INIZCTEOSA-N 1 0 267.376 3.083 40 0 CGABRO Cc1cccc(C[N@@H+]2CCC[C@@H](Cc3ccccn3)C2)n1 ZINC000072385807 176390593 /nfs/dbraw/zinc/39/05/93/176390593.db2.gz VRCTUQZEIJFFRV-INIZCTEOSA-N 1 0 281.403 3.240 40 0 CGABRO CC12c3ccccc3C(c3ccccc31)[C@@H]1C[NH2+]C[C@H]12 ZINC000072397457 176394755 /nfs/dbraw/zinc/39/47/55/176394755.db2.gz QJGCHEPPYDFSSH-BYXNGTQDSA-N 1 0 261.368 3.287 40 0 CGABRO CCCNc1ncc(C[NH2+]CCC2=CCCCC2)cn1 ZINC000062717720 262302417 /nfs/dbraw/zinc/30/24/17/262302417.db2.gz OBXABSTUSQSGLP-UHFFFAOYSA-N 1 0 274.412 3.279 40 0 CGABRO Cc1cc(N2CCCc3ccccc32)ncc1[C@@H](C)[NH3+] ZINC000072223922 274705992 /nfs/dbraw/zinc/70/59/92/274705992.db2.gz XIICUFVAMYZNPC-CYBMUJFWSA-N 1 0 267.376 3.494 40 0 CGABRO Brc1ccc(-c2nc3c(s2)C[NH2+]CC3)cc1 ZINC000053335631 275368801 /nfs/dbraw/zinc/36/88/01/275368801.db2.gz DJBBHLWKRYLCTG-UHFFFAOYSA-N 1 0 295.205 3.218 40 0 CGABRO CC1(C)Cc2ccccc2C(CC[NH+]2CCCC2)=N1 ZINC000005415302 275873639 /nfs/dbraw/zinc/87/36/39/275873639.db2.gz QNLIKAGCOMHHCO-UHFFFAOYSA-N 1 0 256.393 3.296 40 0 CGABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215938 276158048 /nfs/dbraw/zinc/15/80/48/276158048.db2.gz PXXDHXKVNXMYAS-OAHLLOKOSA-N 1 0 259.397 3.229 40 0 CGABRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C)C(=O)OC(C)(C)C ZINC000047219137 279352439 /nfs/dbraw/zinc/35/24/39/279352439.db2.gz DNMOOCDFBZEBIM-XQQFMLRXSA-N 1 0 255.402 3.133 40 0 CGABRO C[n+]1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000226300376 280181165 /nfs/dbraw/zinc/18/11/65/280181165.db2.gz JBVPJZGFEPOHQM-UHFFFAOYSA-N 1 0 261.304 3.473 40 0 CGABRO OC1(C[N@@H+]2CCC[C@@H](c3nccs3)C2)CCCCC1 ZINC000257265925 280399925 /nfs/dbraw/zinc/39/99/25/280399925.db2.gz MAXJXXPJJCISKR-CYBMUJFWSA-N 1 0 280.437 3.018 40 0 CGABRO c1csc([C@@H]2Nc3ccccc3C3=[NH+]CCCN32)c1 ZINC000012144183 280505797 /nfs/dbraw/zinc/50/57/97/280505797.db2.gz XRPWUKJZGQMKTO-OAHLLOKOSA-N 1 0 269.373 3.325 40 0 CGABRO Cc1cc(N2CCCc3ccccc32)ncc1[C@H](C)[NH3+] ZINC000072223923 280557210 /nfs/dbraw/zinc/55/72/10/280557210.db2.gz XIICUFVAMYZNPC-ZDUSSCGKSA-N 1 0 267.376 3.494 40 0 CGABRO C[NH2+]C[C@@H](OC(C)C)c1cccc(Br)c1 ZINC000050483507 522036712 /nfs/dbraw/zinc/03/67/12/522036712.db2.gz TWQUUMOPZHVPEJ-GFCCVEGCSA-N 1 0 272.186 3.135 40 0 CGABRO C[C@H](CNC(=O)Nc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000013964810 640970767 /nfs/dbraw/zinc/97/07/67/640970767.db2.gz WGAWRRYLCXCIMC-GFCCVEGCSA-N 1 0 295.814 3.336 40 0 CGABRO Cc1nc(CC[NH2+][C@@H](C)c2cnc(C)nc2C)sc1C ZINC000127723405 187329232 /nfs/dbraw/zinc/32/92/32/187329232.db2.gz GXYVFLUMLJYVNC-JTQLQIEISA-N 1 0 290.436 3.060 40 0 CGABRO CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccs1)C2 ZINC000096056794 185077146 /nfs/dbraw/zinc/07/71/46/185077146.db2.gz NLEXSHPMPYXTBJ-JKSUJKDBSA-N 1 0 295.448 3.156 40 0 CGABRO C[NH2+]C[C@@H](OC(C)C)c1ccccc1C(F)(F)F ZINC000062711745 290681751 /nfs/dbraw/zinc/68/17/51/290681751.db2.gz FTYLPFBCKUHWTC-GFCCVEGCSA-N 1 0 261.287 3.391 40 0 CGABRO CC(C)CC[NH2+][C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585289660 346726027 /nfs/dbraw/zinc/72/60/27/346726027.db2.gz LQLDDYTXARERKN-GVDBMIGSSA-N 1 0 295.398 3.122 40 0 CGABRO CCCn1nccc1-c1ncccc1C[C@H]1CCC[N@H+](C)C1 ZINC000585180196 346726094 /nfs/dbraw/zinc/72/60/94/346726094.db2.gz IVKHWRFSWMIGIC-OAHLLOKOSA-N 1 0 298.434 3.239 40 0 CGABRO [NH3+][C@@H]1CCC[C@@H](Nc2cccc(Oc3ccccc3)c2)[C@@H]1O ZINC000585260840 346726173 /nfs/dbraw/zinc/72/61/73/346726173.db2.gz YAOZPLQXCHUZLW-KZNAEPCWSA-N 1 0 298.386 3.132 40 0 CGABRO COCC[NH2+][C@@H](C)c1cccc(OC2CCCC2)c1 ZINC000225166250 189744845 /nfs/dbraw/zinc/74/48/45/189744845.db2.gz AFTNZORYFQGHHF-ZDUSSCGKSA-N 1 0 263.381 3.305 40 0 CGABRO COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC000000001614 368269601 /nfs/dbraw/zinc/26/96/01/368269601.db2.gz MKXZASYAUGDDCJ-KBAYOESNSA-N 1 0 271.404 3.383 40 0 in-man CGABRO Cc1cc(C)c(C[C@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1C ZINC000000140834 368301250 /nfs/dbraw/zinc/30/12/50/368301250.db2.gz YGAUHRIAVQQHDT-XYJFISCASA-N 1 0 275.436 3.246 40 0 CGABRO CCc1ccc[n+](CCc2c[nH]c3ccccc23)c1 ZINC000000391713 368356948 /nfs/dbraw/zinc/35/69/48/368356948.db2.gz DKAYDUSXEPEPBI-UHFFFAOYSA-N 1 0 251.353 3.261 40 0 CGABRO CCOC(=O)C[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001569349 368419131 /nfs/dbraw/zinc/41/91/31/368419131.db2.gz WTRSETHGBYJVQN-OAHLLOKOSA-N 1 0 261.365 3.167 40 0 CGABRO COCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000001595161 368422248 /nfs/dbraw/zinc/42/22/48/368422248.db2.gz JZUNYBZRTRVWQX-KRWDZBQOSA-N 1 0 255.361 3.206 40 0 CGABRO [NH3+][C@@H](CCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000001668285 368428867 /nfs/dbraw/zinc/42/88/67/368428867.db2.gz SSLGJLHRVRKICH-AWEZNQCLSA-N 1 0 255.317 3.048 40 0 CGABRO CC[C@H](OC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000002694569 368472486 /nfs/dbraw/zinc/47/24/86/368472486.db2.gz VRUIYMWWJGHVSW-IRXDYDNUSA-N 1 0 277.408 3.001 40 0 CGABRO Cc1ccc2oc(C(=O)O[C@H](C)[C@H](C)C[NH+](C)C)cc2c1 ZINC000004610644 368552893 /nfs/dbraw/zinc/55/28/93/368552893.db2.gz QXYDVBRXVKOZGO-CHWSQXEVSA-N 1 0 289.375 3.484 40 0 CGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(C)c1 ZINC000010543033 368583558 /nfs/dbraw/zinc/58/35/58/368583558.db2.gz OIJPHUOPOGLMLX-QGZVFWFLSA-N 1 0 288.435 3.379 40 0 CGABRO C/C(=C\c1ccccc1)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000019575674 368757075 /nfs/dbraw/zinc/75/70/75/368757075.db2.gz AEWGFUWDVPVAQA-SZPPPQKLSA-N 1 0 270.420 3.258 40 0 CGABRO CC[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000036092694 369007638 /nfs/dbraw/zinc/00/76/38/369007638.db2.gz NRJIKAHGLFNCAB-LSDHHAIUSA-N 1 0 288.435 3.447 40 0 CGABRO CCC(CC)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036878846 369035654 /nfs/dbraw/zinc/03/56/54/369035654.db2.gz NWLPOVGXVKMWEO-UHFFFAOYSA-N 1 0 270.417 3.164 40 0 CGABRO CCOC(=O)CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000036984852 369044966 /nfs/dbraw/zinc/04/49/66/369044966.db2.gz OYZYPJYAYKNETP-UHFFFAOYSA-N 1 0 283.371 3.319 40 0 CGABRO CC(C)Oc1cccc(C2(O)CC[NH+](C(C)C)CC2)c1 ZINC000079030447 369960437 /nfs/dbraw/zinc/96/04/37/369960437.db2.gz HHBXPAYLQCJGMW-UHFFFAOYSA-N 1 0 277.408 3.166 40 0 CGABRO C[NH2+][C@H]1CCCC[C@H]1N(C(=O)OC(C)(C)C)C(C)C ZINC000079437664 369968808 /nfs/dbraw/zinc/96/88/08/369968808.db2.gz YBXRHLAYHYKZHW-QWHCGFSZSA-N 1 0 270.417 3.163 40 0 CGABRO C[NH2+]C[C@@H](C)CN1c2ccccc2CCc2cc(O)ccc21 ZINC000077293616 369945899 /nfs/dbraw/zinc/94/58/99/369945899.db2.gz LITUUVIRCVGRTI-CQSZACIVSA-N 1 0 296.414 3.484 40 0 in-vitro CGABRO Cc1ccc(C[NH+]2CCCC2)cc1Br ZINC000090413602 370060221 /nfs/dbraw/zinc/06/02/21/370060221.db2.gz DPANSLZHFXREAB-UHFFFAOYSA-N 1 0 254.171 3.353 40 0 CGABRO [NH3+]C[C@H](c1ccccc1C(F)(F)F)N1CCCCC1 ZINC000095532267 370201550 /nfs/dbraw/zinc/20/15/50/370201550.db2.gz FIAVDFDUQDGAHI-CYBMUJFWSA-N 1 0 272.314 3.191 40 0 CGABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2cccc(C)n2)o1 ZINC000096184673 370206535 /nfs/dbraw/zinc/20/65/35/370206535.db2.gz VLWWFIYDAHQFPC-SJORKVTESA-N 1 0 297.402 3.145 40 0 CGABRO CC1=C[C@H](C)[C@@H]([C@@H]2OC[C@H](C[NH+]3CCCC3)O2)[C@H](C)C1 ZINC000102677228 370307959 /nfs/dbraw/zinc/30/79/59/370307959.db2.gz FTLAMGAOAHIHBM-DMRKSPOLSA-N 1 0 279.424 3.062 40 0 CGABRO CCOc1ccc(C[NH2+]Cc2ccnn2C(C)C)cc1 ZINC000256050963 190003916 /nfs/dbraw/zinc/00/39/16/190003916.db2.gz HEVLJLAAKSJLHE-UHFFFAOYSA-N 1 0 273.380 3.153 40 0 CGABRO CC(C)n1nccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000257232197 190016755 /nfs/dbraw/zinc/01/67/55/190016755.db2.gz GJUHZUVNZXLBOT-ZDUSSCGKSA-N 1 0 290.436 3.300 40 0 CGABRO Cc1nccc([C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000257217597 190014244 /nfs/dbraw/zinc/01/42/44/190014244.db2.gz CZQSDIBZZFXGSG-ZDUSSCGKSA-N 1 0 273.405 3.226 40 0 CGABRO Cc1cc(-c2cc[nH]n2)nc([C@@H]2CCCC[N@H+]2C(C)C)n1 ZINC000257244334 190019060 /nfs/dbraw/zinc/01/90/60/190019060.db2.gz IKVNNVIAYXPPGN-HNNXBMFYSA-N 1 0 285.395 3.111 40 0 CGABRO Cc1cc(-c2cc(C3CC[NH+](C(C)C)CC3)ccn2)n[nH]1 ZINC000257257674 190021609 /nfs/dbraw/zinc/02/16/09/190021609.db2.gz KQRHCAMDZAMIJX-UHFFFAOYSA-N 1 0 284.407 3.368 40 0 CGABRO [NH3+]CCCNc1ccnc2cc(Cl)cc(Cl)c21 ZINC000222680862 376240907 /nfs/dbraw/zinc/24/09/07/376240907.db2.gz XNZKVFYJLATSEW-UHFFFAOYSA-N 1 0 270.163 3.302 40 0 CGABRO COCC[NH2+]Cc1cccn1-c1cc(Cl)ccc1C ZINC000223687002 376259354 /nfs/dbraw/zinc/25/93/54/376259354.db2.gz UBWZVQRTWAQDGD-UHFFFAOYSA-N 1 0 278.783 3.175 40 0 CGABRO CC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000248267145 377285139 /nfs/dbraw/zinc/28/51/39/377285139.db2.gz YEAAFHQYCUNACY-GOEBONIOSA-N 1 0 293.480 3.230 40 0 CGABRO Cc1cn2c(cccc2[C@H]2CCCN2c2cc(C)ncn2)n1 ZINC000257226362 377795039 /nfs/dbraw/zinc/79/50/39/377795039.db2.gz FKIPOTCQNZGLAR-CQSZACIVSA-N 1 0 293.374 3.083 40 0 CGABRO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3ccsc3)C2)n1 ZINC000257330722 377795190 /nfs/dbraw/zinc/79/51/90/377795190.db2.gz XPPWJNYWVFTHQZ-CYBMUJFWSA-N 1 0 261.394 3.159 40 0 CGABRO CSc1ncc(C[NH2+][C@@H](C)c2ccccc2)cn1 ZINC000062717201 256721585 /nfs/dbraw/zinc/72/15/85/256721585.db2.gz IJEIRKLTHQTXOL-NSHDSACASA-N 1 0 259.378 3.049 40 0 CGABRO CC1CC[NH+](CCc2ccc3cccc(O)c3n2)CC1 ZINC000059474696 256795930 /nfs/dbraw/zinc/79/59/30/256795930.db2.gz HBLYBHGNVBTTQP-UHFFFAOYSA-N 1 0 270.376 3.215 40 0 CGABRO Clc1ccc(-c2n[nH]c3c2C[NH2+]CC3)c(Cl)c1 ZINC000020221837 391939435 /nfs/dbraw/zinc/93/94/35/391939435.db2.gz AIEMSUWXXAMAAV-UHFFFAOYSA-N 1 0 268.147 3.029 40 0 CGABRO CCCNc1ccc([C@H]([NH3+])c2ccccc2)c(C)n1 ZINC000072224260 392203312 /nfs/dbraw/zinc/20/33/12/392203312.db2.gz PTAQDIZNLUYFEE-MRXNPFEDSA-N 1 0 255.365 3.260 40 0 CGABRO CC[C@@H](C)[NH+]1CCC2(CC1)c1ccccc1N(CC)C2=O ZINC000096078902 392245335 /nfs/dbraw/zinc/24/53/35/392245335.db2.gz JYWURFPMTGAVCV-CQSZACIVSA-N 1 0 286.419 3.185 40 0 CGABRO COCC[NH2+]Cc1cccn1-c1cccc(C(F)(F)F)c1 ZINC000113704068 392384618 /nfs/dbraw/zinc/38/46/18/392384618.db2.gz WPOZZUVGLHZBDA-UHFFFAOYSA-N 1 0 298.308 3.232 40 0 CGABRO CCC[NH2+][C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004976390 170047852 /nfs/dbraw/zinc/04/78/52/170047852.db2.gz HPXHERWSLMDPQQ-IAGOWNOFSA-N 1 0 255.361 3.461 40 0 CGABRO C[C@H]1Cc2cc(C(=O)CC[NH+]3CCCCCC3)ccc2O1 ZINC000005534414 170110106 /nfs/dbraw/zinc/11/01/06/170110106.db2.gz BWMLSSGLIVWADJ-AWEZNQCLSA-N 1 0 287.403 3.459 40 0 CGABRO CCC(=O)[C@@](CC[NH+](C)C)(c1ccccc1)c1ccccn1 ZINC000005836953 170145342 /nfs/dbraw/zinc/14/53/42/170145342.db2.gz ZNFQZULJEUVJDX-IBGZPJMESA-N 1 0 296.414 3.299 40 0 CGABRO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000006007986 170168097 /nfs/dbraw/zinc/16/80/97/170168097.db2.gz FMLHDYSHTHBTBB-HOTGVXAUSA-N 1 0 291.435 3.424 40 0 CGABRO CCCCC[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000007261274 170273848 /nfs/dbraw/zinc/27/38/48/170273848.db2.gz MDPVQMKKUMAGJU-UHFFFAOYSA-N 1 0 251.370 3.374 40 0 CGABRO COc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OC ZINC000007274869 170276058 /nfs/dbraw/zinc/27/60/58/170276058.db2.gz HUZZYTGVXWSWTB-UHFFFAOYSA-N 1 0 292.766 3.042 40 0 CGABRO C[NH+](C)CCCNCc1ccccc1OCc1ccccc1 ZINC000008373915 170333239 /nfs/dbraw/zinc/33/32/39/170333239.db2.gz RVGKYFRQXLPKSB-UHFFFAOYSA-N 1 0 298.430 3.307 40 0 CGABRO C[NH+](C)CCCNCc1ccc(-c2ccccc2F)o1 ZINC000008373884 170333364 /nfs/dbraw/zinc/33/33/64/170333364.db2.gz TTYUUQFSDGYPRH-UHFFFAOYSA-N 1 0 276.355 3.127 40 0 CGABRO CCCCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020454922 171208284 /nfs/dbraw/zinc/20/82/84/171208284.db2.gz SEBQSUIOPNNTCN-HNNXBMFYSA-N 1 0 288.435 3.448 40 0 CGABRO CCOc1cccc(C[NH2+]CCc2ccccc2)c1 ZINC000022074369 171352054 /nfs/dbraw/zinc/35/20/54/171352054.db2.gz AQBFTFNSKMAFNM-UHFFFAOYSA-N 1 0 255.361 3.418 40 0 CGABRO CCOc1ccc(Cl)cc1CNCC[NH+](CC)CC ZINC000022075937 171352171 /nfs/dbraw/zinc/35/21/71/171352171.db2.gz RBOTXWJAAMXLOM-UHFFFAOYSA-N 1 0 284.831 3.170 40 0 CGABRO Clc1ccc(Cl)c(CO[C@@H]2CCC[NH2+]C2)c1 ZINC000034268905 171835900 /nfs/dbraw/zinc/83/59/00/171835900.db2.gz NMLUXSNKRVKUNI-LLVKDONJSA-N 1 0 260.164 3.262 40 0 CGABRO C[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000039044134 174161861 /nfs/dbraw/zinc/16/18/61/174161861.db2.gz OKYXOVCFRVDBPY-UHFFFAOYSA-N 1 0 267.372 3.267 40 0 CGABRO CC[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039742614 174172531 /nfs/dbraw/zinc/17/25/31/174172531.db2.gz HFMMTFQCCBNLJQ-HNNXBMFYSA-N 1 0 288.435 3.122 40 0 CGABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072355681 176374716 /nfs/dbraw/zinc/37/47/16/176374716.db2.gz IHTGEFZCTQGWLD-HNNXBMFYSA-N 1 0 298.434 3.418 40 0 CGABRO Fc1ccccc1CNc1ccnc(C2CC[NH2+]CC2)c1 ZINC000072365036 176379929 /nfs/dbraw/zinc/37/99/29/176379929.db2.gz XRFULRVIFZXVDK-UHFFFAOYSA-N 1 0 285.366 3.300 40 0 CGABRO C[N@@H+]1CCC[C@H](c2csc(Nc3ccccn3)n2)C1 ZINC000072367692 176382276 /nfs/dbraw/zinc/38/22/76/176382276.db2.gz LNTYSVLORHGMFI-NSHDSACASA-N 1 0 274.393 3.091 40 0 CGABRO c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H](c2cnccn2)C1 ZINC000072369378 176384060 /nfs/dbraw/zinc/38/40/60/176384060.db2.gz UENOFHWEAKCOTM-AWEZNQCLSA-N 1 0 292.386 3.338 40 0 CGABRO Cc1ccccc1-c1cc([C@H]2CCC[NH2+]2)nc(C)n1 ZINC000072386631 176392345 /nfs/dbraw/zinc/39/23/45/176392345.db2.gz HDNVCLCQAXPDRA-CQSZACIVSA-N 1 0 253.349 3.185 40 0 CGABRO CCCNc1ncc(C[NH2+][C@@H](C)c2ccccc2)cn1 ZINC000062717674 262302455 /nfs/dbraw/zinc/30/24/55/262302455.db2.gz DOAIZWPFKWNPTB-ZDUSSCGKSA-N 1 0 270.380 3.149 40 0 CGABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]([NH3+])c1ccccc1 ZINC000072208715 275823365 /nfs/dbraw/zinc/82/33/65/275823365.db2.gz UNGCJHBVTMJSNS-CABCVRRESA-N 1 0 290.407 3.476 40 0 CGABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1Br ZINC000072211612 276260597 /nfs/dbraw/zinc/26/05/97/276260597.db2.gz HUSNGTIBVQWWPN-LLVKDONJSA-N 1 0 269.186 3.391 40 0 CGABRO C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000075905957 277035300 /nfs/dbraw/zinc/03/53/00/277035300.db2.gz XVFDTMOEUDZZFE-UHFFFAOYSA-N 1 0 254.171 3.258 40 0 CGABRO C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207661 277038984 /nfs/dbraw/zinc/03/89/84/277038984.db2.gz JARAEFPSWXWDOV-GJZGRUSLSA-N 1 0 290.407 3.347 40 0 CGABRO C[NH2+][C@@H]1CC(C)(C)Oc2c(Br)cccc21 ZINC000081217840 277294208 /nfs/dbraw/zinc/29/42/08/277294208.db2.gz BPXKTMUKGNLZTM-SNVBAGLBSA-N 1 0 270.170 3.271 40 0 CGABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215999 279282948 /nfs/dbraw/zinc/28/29/48/279282948.db2.gz OJNFZTVRYPEEHO-HNNXBMFYSA-N 1 0 259.397 3.229 40 0 CGABRO C[C@]12CCC[N@H+](Cc3ccccc3)[C@@H]1CCCC2=O ZINC000095951581 185039688 /nfs/dbraw/zinc/03/96/88/185039688.db2.gz UHHJPFURMOOFJW-WBVHZDCISA-N 1 0 257.377 3.410 40 0 CGABRO c1csc(N2C[C@H]3CCC[C@@H](C[NH+]4CCCC4)[C@H]3C2)n1 ZINC000096081881 185091291 /nfs/dbraw/zinc/09/12/91/185091291.db2.gz ZFLPARNWLGAWFM-RRFJBIMHSA-N 1 0 291.464 3.091 40 0 CGABRO C[NH+](C)C[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000217809090 346291930 /nfs/dbraw/zinc/29/19/30/346291930.db2.gz WYPJAPCMQZBXCK-PWSUYJOCSA-N 1 0 254.171 3.114 40 0 CGABRO CCOc1ccc(C[N@@H+]2CCC[C@H](OC)CC2)cc1 ZINC000363674062 233991307 /nfs/dbraw/zinc/99/13/07/233991307.db2.gz RAEXUUJDTJNXSD-HNNXBMFYSA-N 1 0 263.381 3.086 40 0 CGABRO CC[C@@H](C)Nc1nc(NCc2ccccc2)cc(C2CC2)[nH+]1 ZINC000328994546 202145362 /nfs/dbraw/zinc/14/53/62/202145362.db2.gz JFJHFGYAJSSTBA-CYBMUJFWSA-N 1 0 296.418 3.020 40 0 CGABRO CC[NH+](CC)CCNc1c(C)cc(CO)c(Cl)c1C ZINC000001655656 368427438 /nfs/dbraw/zinc/42/74/38/368427438.db2.gz ZHWMZUZKCXHKDJ-UHFFFAOYSA-N 1 0 284.831 3.203 40 0 CGABRO O=C(C[NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001671542 368429201 /nfs/dbraw/zinc/42/92/01/368429201.db2.gz GTCNYYDQRNWGCJ-UHFFFAOYSA-N 1 0 259.736 3.313 40 0 CGABRO CCCC[C@H](CC)C[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001710553 368434291 /nfs/dbraw/zinc/43/42/91/368434291.db2.gz PEBLHSOBDXIVIY-AWEZNQCLSA-N 1 0 292.423 3.232 40 0 CGABRO COc1cc2c(cc1OCc1ccccc1)[C@@H](C)[NH2+]CC2 ZINC000003847304 368521179 /nfs/dbraw/zinc/52/11/79/368521179.db2.gz UJUNDAYVNBUMOJ-CYBMUJFWSA-N 1 0 283.371 3.481 40 0 CGABRO C[C@H]([NH3+])c1nc2ccccc2n1Cc1ccccc1 ZINC000016778381 368721600 /nfs/dbraw/zinc/72/16/00/368721600.db2.gz JCZLTHLKPYBYQF-LBPRGKRZSA-N 1 0 251.333 3.104 40 0 CGABRO c1ccc([C@H]2[C@H]([NH2+]C[C@@H]3CCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000019373723 368750653 /nfs/dbraw/zinc/75/06/53/368750653.db2.gz MDOWAAUMGYZGRS-PFPDTZPXSA-N 1 0 271.404 3.195 40 0 CGABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019462616 368754163 /nfs/dbraw/zinc/75/41/63/368754163.db2.gz OLCQIXXLUAVANR-OKILXGFUSA-N 1 0 282.391 3.017 40 0 CGABRO CCCCOc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1OC ZINC000032156534 368927847 /nfs/dbraw/zinc/92/78/47/368927847.db2.gz AKPAROGTHVBDTB-HNNXBMFYSA-N 1 0 293.407 3.143 40 0 CGABRO CC(C)C[N@@H+]1CC[C@H](c2nnc(-c3ccccc3F)o2)C1 ZINC000049170551 369391339 /nfs/dbraw/zinc/39/13/39/369391339.db2.gz RCDKLLAWMMOYKN-LBPRGKRZSA-N 1 0 289.354 3.321 40 0 biogenic,in-vitro CGABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1C ZINC000057288883 369533394 /nfs/dbraw/zinc/53/33/94/369533394.db2.gz FWYNQKNXGNGKIW-UHFFFAOYSA-N 1 0 288.435 3.299 40 0 CGABRO CC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1OC ZINC000066115667 369687708 /nfs/dbraw/zinc/68/77/08/369687708.db2.gz DMZRMQMRLZZUJU-ZFWWWQNUSA-N 1 0 293.407 3.141 40 0 CGABRO Cc1cc(C2(O)CC[NH+](C(C)C)CC2)ccc1Cl ZINC000079030399 369960135 /nfs/dbraw/zinc/96/01/35/369960135.db2.gz MXQVACXAPHZGQC-UHFFFAOYSA-N 1 0 267.800 3.340 40 0 CGABRO CCN(C(=O)OCc1ccccc1)[C@H]1CCCC[C@@H]1[NH2+]C ZINC000079437812 369968983 /nfs/dbraw/zinc/96/89/83/369968983.db2.gz IIVASKQQTWZDTG-HOTGVXAUSA-N 1 0 290.407 3.176 40 0 CGABRO CC(C)OC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096040497 370203091 /nfs/dbraw/zinc/20/30/91/370203091.db2.gz KDBLBJLALHWEKL-DLBZAZTESA-N 1 0 293.407 3.076 40 0 CGABRO C[NH+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccoc3)C[C@@H]21 ZINC000096083223 370204729 /nfs/dbraw/zinc/20/47/29/370204729.db2.gz AYNHTTFJLDIDEF-BZSNNMDCSA-N 1 0 282.387 3.112 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H](c2cccc(-c3ccnn3C)n2)C1 ZINC000257203318 190011531 /nfs/dbraw/zinc/01/15/31/190011531.db2.gz APMGDEIIFYFDFQ-CQSZACIVSA-N 1 0 284.407 3.070 40 0 CGABRO Cc1ccccc1CN1C(=O)CCCC[C@@H]2[NH2+]CC[C@@]21C ZINC000257225367 190015658 /nfs/dbraw/zinc/01/56/58/190015658.db2.gz FFXIFTZIZGWRES-WMZOPIPTSA-N 1 0 286.419 3.018 40 0 CGABRO Cc1csc(Nc2cccc(CC3CC[NH2+]CC3)n2)n1 ZINC000257222573 190014447 /nfs/dbraw/zinc/01/44/47/190014447.db2.gz DTUVLNJDLNEIFO-UHFFFAOYSA-N 1 0 288.420 3.132 40 0 CGABRO CCc1nc(C)c(C[N@@H+]2CCC[C@H]2c2ccnc(NC)c2)[nH]1 ZINC000257243932 190018200 /nfs/dbraw/zinc/01/82/00/190018200.db2.gz IJDUMFIOLABSPW-HNNXBMFYSA-N 1 0 299.422 3.054 40 0 CGABRO CC(C)(C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224698685 376286878 /nfs/dbraw/zinc/28/68/78/376286878.db2.gz FBACLXBHMGWGAY-UHFFFAOYSA-N 1 0 288.435 3.335 40 0 CGABRO c1ccc2[nH]c([C@@H]3CCCN3Cc3ccncc3)nc2c1 ZINC000257223527 377795754 /nfs/dbraw/zinc/79/57/54/377795754.db2.gz DXUAZTGTXWSNLM-INIZCTEOSA-N 1 0 278.359 3.295 40 0 CGABRO OC1/C(=C/c2ccccc2)C[NH2+]C/C1=C\c1ccccc1 ZINC000005722825 285242464 /nfs/dbraw/zinc/24/24/64/285242464.db2.gz ZYPHMHISTJAFFJ-JYFOCSDGSA-N 1 0 277.367 3.118 40 0 CGABRO Cc1ccc([C@H](Cc2ccccc2)[NH2+][C@H](C)CO)cc1 ZINC000001667039 391913078 /nfs/dbraw/zinc/91/30/78/391913078.db2.gz SBRNPMKCHAICRK-QAPCUYQASA-N 1 0 269.388 3.249 40 0 CGABRO CCN(CC)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424727 391980089 /nfs/dbraw/zinc/98/00/89/391980089.db2.gz FCCCJDOXKLNBGS-GFCCVEGCSA-N 1 0 261.196 3.335 40 0 CGABRO [NH3+]C[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000054561863 392092814 /nfs/dbraw/zinc/09/28/14/392092814.db2.gz LZPGXIBBYHVXSV-DOTOQJQBSA-N 1 0 253.345 3.328 40 0 CGABRO Nc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212351 392196745 /nfs/dbraw/zinc/19/67/45/392196745.db2.gz JXNYSCPKXLVWAZ-OAHLLOKOSA-N 1 0 253.349 3.001 40 0 CGABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1NC1CC1 ZINC000072222776 392201900 /nfs/dbraw/zinc/20/19/00/392201900.db2.gz ZTGFDIXQJFEDRE-OAHLLOKOSA-N 1 0 253.349 3.012 40 0 CGABRO CC[C@@H]([NH3+])c1ccc(NCc2ccccc2)nc1C ZINC000072224419 392203021 /nfs/dbraw/zinc/20/30/21/392203021.db2.gz ARUKTEMRYBJREK-OAHLLOKOSA-N 1 0 255.365 3.412 40 0 CGABRO CC(C)N(C)[C@@H]1CC[N@H+](CC2CC2)[C@H]1Cc1ccccc1 ZINC000096061677 392245511 /nfs/dbraw/zinc/24/55/11/392245511.db2.gz PCYQBVABHFQAFX-MOPGFXCFSA-N 1 0 286.463 3.422 40 0 CGABRO CC[NH+](CC)CCCNc1cc(OC)cc2cccnc21 ZINC000001683561 169741164 /nfs/dbraw/zinc/74/11/64/169741164.db2.gz WIPRQKODGRKUEW-UHFFFAOYSA-N 1 0 287.407 3.387 40 0 CGABRO Nc1cc(N)[nH+]c(SCc2cccc3ccccc32)n1 ZINC000005198492 170075840 /nfs/dbraw/zinc/07/58/40/170075840.db2.gz XZQIKBHAVPPSDD-UHFFFAOYSA-N 1 0 282.372 3.087 40 0 CGABRO COc1cc2cccnc2c(N[C@@H](C)C[NH2+]C(C)C)c1 ZINC000005835041 170145630 /nfs/dbraw/zinc/14/56/30/170145630.db2.gz CKCYYZHGPJOUJC-LBPRGKRZSA-N 1 0 273.380 3.042 40 0 CGABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000005908184 170153424 /nfs/dbraw/zinc/15/34/24/170153424.db2.gz TYYFMMLMFLNHTH-QGZVFWFLSA-N 1 0 285.387 3.126 40 0 CGABRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCCCO)cc1 ZINC000006484436 170205034 /nfs/dbraw/zinc/20/50/34/170205034.db2.gz FSVBWWLKEJVIPQ-LJQANCHMSA-N 1 0 299.414 3.341 40 0 CGABRO Cc1cc(C)nc(SCCC[NH2+]Cc2ccccc2)n1 ZINC000006678423 170225904 /nfs/dbraw/zinc/22/59/04/170225904.db2.gz RTSYEWSUYCSNTN-UHFFFAOYSA-N 1 0 287.432 3.365 40 0 CGABRO CC(C)(CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000006883153 170252975 /nfs/dbraw/zinc/25/29/75/170252975.db2.gz QNQITHXTNPVKKV-UHFFFAOYSA-N 1 0 285.387 3.126 40 0 CGABRO CCCCCC[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000007261032 170274074 /nfs/dbraw/zinc/27/40/74/170274074.db2.gz UFFJYAWRWXQGPV-UHFFFAOYSA-N 1 0 281.396 3.382 40 0 CGABRO CCC[NH2+]Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000007262315 170274341 /nfs/dbraw/zinc/27/43/41/170274341.db2.gz FYNZWAMZPZSNEJ-UHFFFAOYSA-N 1 0 257.761 3.247 40 0 CGABRO CC(C)[NH2+]CC[C@H](c1ccccc1)c1cc(CO)ccc1O ZINC000022060819 171351676 /nfs/dbraw/zinc/35/16/76/171351676.db2.gz CCZYBOXFQXWQIF-QGZVFWFLSA-N 1 0 299.414 3.405 40 0 CGABRO C[C@H]1CCC[N@H+](Cc2ccc(N)cc2Br)C1 ZINC000037460441 173224073 /nfs/dbraw/zinc/22/40/73/173224073.db2.gz UKSFEDFIBQWRBQ-JTQLQIEISA-N 1 0 283.213 3.263 40 0 CGABRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]([NH3+])c1ccccc1 ZINC000071617713 176235022 /nfs/dbraw/zinc/23/50/22/176235022.db2.gz NZRSPPIHSYBLSO-ZIAGYGMSSA-N 1 0 276.380 3.086 40 0 CGABRO CN(Cc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000072203591 176341671 /nfs/dbraw/zinc/34/16/71/176341671.db2.gz GTAXMIPUEKSCRV-JTQLQIEISA-N 1 0 273.207 3.177 40 0 CGABRO Fc1ccc(Cc2nccnc2C[C@H]2CCC[NH2+]CC2)cc1 ZINC000072363330 176377823 /nfs/dbraw/zinc/37/78/23/176377823.db2.gz GHFOLPGTJPXJPU-AWEZNQCLSA-N 1 0 299.393 3.139 40 0 CGABRO Cc1cccc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072363802 176378032 /nfs/dbraw/zinc/37/80/32/176378032.db2.gz HMYJASPSXLWXOF-INIZCTEOSA-N 1 0 267.376 3.165 40 0 CGABRO Cc1ccc(NC(=O)c2cc([C@H]3CCC[NH2+]C3)ccn2)cc1 ZINC000072365588 176380335 /nfs/dbraw/zinc/38/03/35/176380335.db2.gz GITMSVPSJZWFRB-HNNXBMFYSA-N 1 0 295.386 3.109 40 0 CGABRO Cc1nc(Nc2nccs2)cc([C@H]2CCCC[N@H+]2C)n1 ZINC000072382619 176388075 /nfs/dbraw/zinc/38/80/75/176388075.db2.gz AONUSXSUBICDCE-GFCCVEGCSA-N 1 0 289.408 3.142 40 0 CGABRO Cc1c[nH]nc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072385003 176389539 /nfs/dbraw/zinc/38/95/39/176389539.db2.gz UJCSQJKXWNCHFT-INIZCTEOSA-N 1 0 269.392 3.140 40 0 CGABRO Cc1cncc([C@H]2CCC[N@H+](CCOc3ccccc3)C2)n1 ZINC000072385394 176389815 /nfs/dbraw/zinc/38/98/15/176389815.db2.gz HIJZZJWFYADRJD-INIZCTEOSA-N 1 0 297.402 3.043 40 0 CGABRO CCc1ncc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)cn1 ZINC000072397945 176395434 /nfs/dbraw/zinc/39/54/34/176395434.db2.gz RUGSWLHGYNBWLC-ZDUSSCGKSA-N 1 0 285.391 3.241 40 0 CGABRO COc1cccc(C=O)c1OCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000217788009 262344419 /nfs/dbraw/zinc/34/44/19/262344419.db2.gz QENPFQRUWYTOOE-ZIAGYGMSSA-N 1 0 291.391 3.149 40 0 CGABRO c1cncc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)c1 ZINC000096241730 265345914 /nfs/dbraw/zinc/34/59/14/265345914.db2.gz DWQJRNJJGQQXNJ-UHFFFAOYSA-N 1 0 264.372 3.316 40 0 CGABRO C[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc21 ZINC000048772043 273975165 /nfs/dbraw/zinc/97/51/65/273975165.db2.gz UWQNHCGYLKJHNP-KRWDZBQOSA-N 1 0 253.345 3.472 40 0 CGABRO CC1=C[C@@H](C)[C@H]([C@@H]2OC[C@H](C[NH+]3CCCC3)O2)[C@@H](C)C1 ZINC000004094088 276184214 /nfs/dbraw/zinc/18/42/14/276184214.db2.gz FTLAMGAOAHIHBM-JSRQGNBESA-N 1 0 279.424 3.062 40 0 CGABRO CC(=O)O[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)[N@H+]2C ZINC000005519253 278221330 /nfs/dbraw/zinc/22/13/30/278221330.db2.gz VOVORVLFYOGXMX-WCVJEAGWSA-N 1 0 293.794 3.222 40 0 CGABRO C[C@@H]1[C@H](O)C(c2ccccc2)(c2ccccc2)[C@H](C)C[N@@H+]1C ZINC000005699670 279126725 /nfs/dbraw/zinc/12/67/25/279126725.db2.gz WVCHTOBQPKMTLU-MDZRGWNJSA-N 1 0 295.426 3.304 40 0 CGABRO C[C@H]1CCC[C@H](C)[NH+]1CCOc1ccccc1C=O ZINC000217789043 230396763 /nfs/dbraw/zinc/39/67/63/230396763.db2.gz LLYHIUZFISPJLE-KBPBESRZSA-N 1 0 261.365 3.141 40 0 CGABRO CC(C)[C@H]([NH3+])c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000095534768 185007935 /nfs/dbraw/zinc/00/79/35/185007935.db2.gz YYXFOBZBYVGRED-JTQLQIEISA-N 1 0 284.285 3.146 40 0 CGABRO COc1ccc(Cl)c(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311751 345902708 /nfs/dbraw/zinc/90/27/08/345902708.db2.gz GHNMTECAJGNQOP-FGWVZKOKSA-N 1 0 251.757 3.347 40 0 CGABRO Clc1ccc(-c2n[nH]c3c2[C@@H]2CC[C@H](C3)[NH2+]2)cc1 ZINC000096510279 345903071 /nfs/dbraw/zinc/90/30/71/345903071.db2.gz RQSBTHSLIKFWFM-MNOVXSKESA-N 1 0 259.740 3.079 40 0 CGABRO C[NH+](C)CCCOc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000107194344 186162160 /nfs/dbraw/zinc/16/21/60/186162160.db2.gz RSXORILTLCPUBP-UHFFFAOYSA-N 1 0 278.396 3.002 40 0 CGABRO C/C(=C\c1ccccc1)C[NH+]1CCC(c2nncn2C)CC1 ZINC000179685621 189213323 /nfs/dbraw/zinc/21/33/23/189213323.db2.gz XJMPDVNKPNUCJZ-NTCAYCPXSA-N 1 0 296.418 3.098 40 0 CGABRO COc1ccc(N[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000218862953 376191020 /nfs/dbraw/zinc/19/10/20/376191020.db2.gz JLWDTMYSJVRIAT-NEPJUHHUSA-N 1 0 254.761 3.030 40 0 CGABRO CC[NH+](CC)CCCNc1cccc2ccc(OC)nc21 ZINC000001594798 368422511 /nfs/dbraw/zinc/42/25/11/368422511.db2.gz ZODHBMSNDDKXOV-UHFFFAOYSA-N 1 0 287.407 3.387 40 0 CGABRO CCc1cc(CC)cc(C(=O)OCC[NH+](CC)CC)c1 ZINC000001646538 368426292 /nfs/dbraw/zinc/42/62/92/368426292.db2.gz XEQYWFSEARJXOO-UHFFFAOYSA-N 1 0 277.408 3.310 40 0 CGABRO CC(C)([NH2+]Cc1ccccc1)C(=O)c1ccccc1 ZINC000001667918 368429389 /nfs/dbraw/zinc/42/93/89/368429389.db2.gz AOBRPVYTYRLIPE-UHFFFAOYSA-N 1 0 253.345 3.438 40 0 CGABRO Nc1ccc(-c2nc3cc(Cl)c(N)cc3[nH]2)cc1 ZINC000006493899 368567918 /nfs/dbraw/zinc/56/79/18/368567918.db2.gz JOTHLSOQKMTNIB-UHFFFAOYSA-N 1 0 258.712 3.048 40 0 CGABRO Cc1ccc(C[N@H+](CCO)Cc2cccs2)cc1C ZINC000013997398 368672824 /nfs/dbraw/zinc/67/28/24/368672824.db2.gz CYWJUUZNGYAYJN-UHFFFAOYSA-N 1 0 275.417 3.359 40 0 CGABRO Cc1cccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@@H]4[NH2+]2)c1 ZINC000019235326 368745493 /nfs/dbraw/zinc/74/54/93/368745493.db2.gz LEYOQTPQVSIKKQ-HIFRSBDPSA-N 1 0 290.370 3.054 40 0 CGABRO c1c2cccnc2[nH]c1[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019346923 368747929 /nfs/dbraw/zinc/74/79/29/368747929.db2.gz CRYNNRGKLFWLID-MRXNPFEDSA-N 1 0 292.386 3.338 40 0 CGABRO CO[C@@H](C)C[N@H+](C)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000019581458 368756705 /nfs/dbraw/zinc/75/67/05/368756705.db2.gz GSWRWCFBDUOJNU-JTQLQIEISA-N 1 0 264.344 3.082 40 0 CGABRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 ZINC000022866989 368812865 /nfs/dbraw/zinc/81/28/65/368812865.db2.gz ZWFNPSCBOVCVTB-ZDUSSCGKSA-N 1 0 276.343 3.287 40 0 CGABRO O[C@@H](C[NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000026897956 368865253 /nfs/dbraw/zinc/86/52/53/368865253.db2.gz APTMYAYREOUIFX-HNNXBMFYSA-N 1 0 261.752 3.163 40 0 CGABRO CCCC[C@H](CC)COC[C@H](O)C[NH2+]Cc1ccccc1 ZINC000026897431 368865302 /nfs/dbraw/zinc/86/53/02/368865302.db2.gz FEKQTLCLFPIWFZ-FUHWJXTLSA-N 1 0 293.451 3.370 40 0 CGABRO [NH3+]Cc1csc(-c2ccc(Br)cc2)n1 ZINC000040999557 369167370 /nfs/dbraw/zinc/16/73/70/369167370.db2.gz SMSXOMQHEKZXLP-UHFFFAOYSA-N 1 0 269.167 3.031 40 0 CGABRO Cc1ccc(C)c(C(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000046882604 369299277 /nfs/dbraw/zinc/29/92/77/369299277.db2.gz RKKIJEIYFVRLTL-HUUCEWRRSA-N 1 0 288.435 3.011 40 0 CGABRO COc1ccc2cc(C[NH3+])ccc2c1Br ZINC000072226987 369816813 /nfs/dbraw/zinc/81/68/13/369816813.db2.gz IBWCBOPJRLBMOK-UHFFFAOYSA-N 1 0 266.138 3.070 40 0 CGABRO CC(C)[NH2+][C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079437249 369968305 /nfs/dbraw/zinc/96/83/05/369968305.db2.gz OMQCCLGWHQLMJN-CVEARBPZSA-N 1 0 290.407 3.222 40 0 CGABRO CCCCCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256054063 190004977 /nfs/dbraw/zinc/00/49/77/190004977.db2.gz UUGKCCMSRMPQEW-UHFFFAOYSA-N 1 0 263.307 3.109 40 0 CGABRO CC[C@H](C)n1nccc1C[NH2+]Cc1ccc(F)cc1 ZINC000256051457 190003440 /nfs/dbraw/zinc/00/34/40/190003440.db2.gz JGBROBNZIHHKHG-LBPRGKRZSA-N 1 0 261.344 3.283 40 0 CGABRO CCCn1ccnc1C[N@@H+]1CCC[C@H]1CCc1ccncc1 ZINC000257212012 190012373 /nfs/dbraw/zinc/01/23/73/190012373.db2.gz CBNWDADKVKECOE-KRWDZBQOSA-N 1 0 298.434 3.285 40 0 CGABRO Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2cncs2)ccn1 ZINC000257217354 190014042 /nfs/dbraw/zinc/01/40/42/190014042.db2.gz CYPDQJUZGJJDOM-HNNXBMFYSA-N 1 0 287.432 3.444 40 0 CGABRO Cc1cccc(C[N@@H+]2CC[C@@H](c3nccc(C)n3)C2)c1 ZINC000257222103 190014617 /nfs/dbraw/zinc/01/46/17/190014617.db2.gz DRXMYHMKMRODHQ-MRXNPFEDSA-N 1 0 267.376 3.083 40 0 CGABRO CC(C)n1nccc1-c1cccc(CC2CC[NH+](C)CC2)n1 ZINC000257223768 190014954 /nfs/dbraw/zinc/01/49/54/190014954.db2.gz DYTNGKPUEAGJKF-UHFFFAOYSA-N 1 0 298.434 3.410 40 0 CGABRO CC[N@@H+]1CC[C@H](C(N)(c2ccccc2)c2ccccc2)C1 ZINC000207974542 376130515 /nfs/dbraw/zinc/13/05/15/376130515.db2.gz NFPYOWPNXUFFDL-SFHVURJKSA-N 1 0 280.415 3.231 40 0 CGABRO CCCC[NH2+]Cc1cc(C)n(CCCOC)c1C ZINC000223660963 376258865 /nfs/dbraw/zinc/25/88/65/376258865.db2.gz NRYIXESEJZGLFP-UHFFFAOYSA-N 1 0 252.402 3.031 40 0 CGABRO CCCCOc1ccccc1[C@H](C)[NH2+]CCOC ZINC000225160737 376296780 /nfs/dbraw/zinc/29/67/80/376296780.db2.gz JFELRCZDELFMCJ-ZDUSSCGKSA-N 1 0 251.370 3.163 40 0 CGABRO Cc1nc(N2CCc3ccccc3C2)cc(NC(C)C)[nH+]1 ZINC000242656665 376783439 /nfs/dbraw/zinc/78/34/39/376783439.db2.gz CSMBEFTVVREXEU-UHFFFAOYSA-N 1 0 282.391 3.168 40 0 CGABRO C[N@@H+]1CCC[C@@H]1c1ccnc2ncc(-c3ccc(F)cc3)n21 ZINC000257318891 377796174 /nfs/dbraw/zinc/79/61/74/377796174.db2.gz VPVQTGVNLIISIW-CQSZACIVSA-N 1 0 296.349 3.302 40 0 CGABRO NC(=[NH2+])c1cccc(COc2ccccc2Cl)c1 ZINC000019510963 256810194 /nfs/dbraw/zinc/81/01/94/256810194.db2.gz AFPUMYFHEQVQEK-UHFFFAOYSA-N 1 0 260.724 3.203 40 0 CGABRO O[C@@H]1CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]2C1 ZINC000005084612 285326250 /nfs/dbraw/zinc/32/62/50/285326250.db2.gz YZHQOLWNBFSHQZ-UHQDVWGKSA-N 1 0 296.414 3.248 40 0 CGABRO COC(=O)[C@](C)(c1ccccc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000085393527 291968072 /nfs/dbraw/zinc/96/80/72/291968072.db2.gz MMRSEEBTACCPCS-CPUCHLNUSA-N 1 0 275.392 3.053 40 0 CGABRO COC(=O)CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000036962719 391978994 /nfs/dbraw/zinc/97/89/94/391978994.db2.gz HFSIXFVOVMSIAM-UHFFFAOYSA-N 1 0 283.371 3.252 40 0 CGABRO CCN(CC)c1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC000072212853 392199213 /nfs/dbraw/zinc/19/92/13/392199213.db2.gz TYAKUJPPVOVIMR-HNNXBMFYSA-N 1 0 261.413 3.475 40 0 CGABRO C[N@@H+]1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216628 392199717 /nfs/dbraw/zinc/19/97/17/392199717.db2.gz FFRHSDIQUKSPAE-HNNXBMFYSA-N 1 0 259.397 3.229 40 0 CGABRO CC(C)[NH2+]C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079437232 392220402 /nfs/dbraw/zinc/22/04/02/392220402.db2.gz APZLXNYQGBSLBF-MRXNPFEDSA-N 1 0 290.407 3.176 40 0 CGABRO Cc1cccc(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000022031831 397605627 /nfs/dbraw/zinc/60/56/27/397605627.db2.gz IESNEIBAEAQNTA-UHOSZYNNSA-N 1 0 284.447 3.301 40 0 CGABRO CCOc1ccc2ccccc2c1C[NH2+][C@@H](CC)CO ZINC000008326245 170331543 /nfs/dbraw/zinc/33/15/43/170331543.db2.gz LGBMXXYLZSUWRI-AWEZNQCLSA-N 1 0 273.376 3.099 40 0 CGABRO CC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C=O ZINC000020131613 171020121 /nfs/dbraw/zinc/02/01/21/171020121.db2.gz GMQXTQDCFHLWPU-OAHLLOKOSA-N 1 0 261.365 3.142 40 0 CGABRO COc1cc(C[NH2+]C(C)C)ccc1OCC(C)C ZINC000032107261 171698845 /nfs/dbraw/zinc/69/88/45/171698845.db2.gz UQTBWJYQQQXQPM-UHFFFAOYSA-N 1 0 251.370 3.228 40 0 CGABRO CC(C)(C)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000067801105 175792717 /nfs/dbraw/zinc/79/27/17/175792717.db2.gz HIRRZQNCPAHGIL-UHFFFAOYSA-N 1 0 270.417 3.022 40 0 CGABRO CSc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000072324651 176369624 /nfs/dbraw/zinc/36/96/24/176369624.db2.gz JVJKUUUZHSHHMB-HIFRSBDPSA-N 1 0 276.449 3.077 40 0 CGABRO COc1cccc(Cc2cccc([C@@H]3CCC[N@H+](C)C3)n2)c1 ZINC000072348579 176373860 /nfs/dbraw/zinc/37/38/60/176373860.db2.gz HNUMUWSKTGCAPK-MRXNPFEDSA-N 1 0 296.414 3.490 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H](Cc2ccnc(Cl)c2)C1 ZINC000072363354 176377500 /nfs/dbraw/zinc/37/75/00/176377500.db2.gz SZLQZGJRPFQZEP-ZDUSSCGKSA-N 1 0 252.789 3.398 40 0 CGABRO c1cc([C@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000072369521 176384401 /nfs/dbraw/zinc/38/44/01/176384401.db2.gz UDFLNTZPTVBTJH-INIZCTEOSA-N 1 0 295.386 3.065 40 0 CGABRO Cc1c[nH]nc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072385002 176389492 /nfs/dbraw/zinc/38/94/92/176389492.db2.gz UJCSQJKXWNCHFT-MRXNPFEDSA-N 1 0 269.392 3.140 40 0 CGABRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccnc(N)n2)c1 ZINC000072385351 176389876 /nfs/dbraw/zinc/38/98/76/176389876.db2.gz ASNRBWKNFZZJBK-MRXNPFEDSA-N 1 0 282.391 3.094 40 0 CGABRO Fc1ccc(-c2cccc([C@@H]3CCC[NH2+]3)n2)cc1F ZINC000072386768 176392110 /nfs/dbraw/zinc/39/21/10/176392110.db2.gz AMNRMWGTZBMIMT-AWEZNQCLSA-N 1 0 260.287 3.451 40 0 CGABRO CC(C)n1c2cc(Cl)ccc2nc1CCC[NH3+] ZINC000040417430 273574214 /nfs/dbraw/zinc/57/42/14/273574214.db2.gz NYYCKDBMRGGCAZ-UHFFFAOYSA-N 1 0 251.761 3.162 40 0 CGABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)o1 ZINC000096052476 274740743 /nfs/dbraw/zinc/74/07/43/274740743.db2.gz XOEQXIWOXKHYLZ-UHFFFAOYSA-N 1 0 296.370 3.074 40 0 CGABRO CC[NH+](CC)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000004279606 276105280 /nfs/dbraw/zinc/10/52/80/276105280.db2.gz RPGOVGAMPYZGQB-GOSISDBHSA-N 1 0 299.414 3.435 40 0 CGABRO C[C@@H]1C[C@H](OC[C@H](O)C[NH+]2CCCCC2)CC(C)(C)C1 ZINC000039931582 279001295 /nfs/dbraw/zinc/00/12/95/279001295.db2.gz AMTVBNMAIGCREU-OAGGEKHMSA-N 1 0 283.456 3.065 40 0 CGABRO Cc1cc(C)nc(NCCC[NH2+]CC2CCCCC2)n1 ZINC000062717883 333176014 /nfs/dbraw/zinc/17/60/14/333176014.db2.gz SIAWGEDCIXRALO-UHFFFAOYSA-N 1 0 276.428 3.065 40 0 CGABRO C[NH2+]C[C@@H](OC(C)C)c1cccc(C(F)(F)F)c1 ZINC000062711736 522035347 /nfs/dbraw/zinc/03/53/47/522035347.db2.gz GWWXTUDGSQPWCT-GFCCVEGCSA-N 1 0 261.287 3.391 40 0 CGABRO CC[C@@H](C(=O)c1ccc2c(c1)CCC2)[NH+]1CCCC1 ZINC000299817148 567148426 /nfs/dbraw/zinc/14/84/26/567148426.db2.gz HLBROWUOAAQHCM-INIZCTEOSA-N 1 0 257.377 3.232 40 0 in-vitro CGABRO CN(C)C(=O)CC1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000096049278 185072906 /nfs/dbraw/zinc/07/29/06/185072906.db2.gz MQMGHUIGJABPLR-UHFFFAOYSA-N 1 0 292.467 3.147 40 0 CGABRO CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1sccc1C)C2 ZINC000096110855 185100853 /nfs/dbraw/zinc/10/08/53/185100853.db2.gz MZJOSEJWTYLKKA-HOCLYGCPSA-N 1 0 295.448 3.217 40 0 CGABRO CO[C@H]1CC[N@H+](Cc2ccco2)C[C@@H]1Cc1ccccc1 ZINC000096110471 185101440 /nfs/dbraw/zinc/10/14/40/185101440.db2.gz BKKRTDWFNHLACX-WMZOPIPTSA-N 1 0 285.387 3.359 40 0 CGABRO C1CCC(O[C@H]2CCCC[C@@H]2[N@@H+]2CCN[C@@H]3CCC[C@@H]32)C1 ZINC000225718118 346305153 /nfs/dbraw/zinc/30/51/53/346305153.db2.gz RUBZSLWQDHSQAX-OWSLCNJRSA-N 1 0 292.467 3.083 40 0 CGABRO COCC[C@@H]1CCOC12CC[NH+](Cc1ccccc1)CC2 ZINC000585102775 346724522 /nfs/dbraw/zinc/72/45/22/346724522.db2.gz HAHYMDUTSCDHRS-QGZVFWFLSA-N 1 0 289.419 3.094 40 0 CGABRO NC(=[NH2+])Cc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000228968912 283262153 /nfs/dbraw/zinc/26/21/53/283262153.db2.gz IGUDCJVZEKWNTL-UHFFFAOYSA-N 1 0 270.176 3.203 40 0 CGABRO O=C(CC[NH+]1CCCCC1)Nc1ccc(F)c(Cl)c1 ZINC000000139873 368299444 /nfs/dbraw/zinc/29/94/44/368299444.db2.gz MXOMIIWCAMCBFI-UHFFFAOYSA-N 1 0 284.762 3.294 40 0 CGABRO CC[C@@H](CO)[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000001666318 368428011 /nfs/dbraw/zinc/42/80/11/368428011.db2.gz PUWDOUUZCPMKIU-HKUYNNGSSA-N 1 0 299.414 3.340 40 0 CGABRO Cc1ccc(NC(=O)[C@H](C)[NH2+]CC(C)C)cc1Cl ZINC000001671709 368428452 /nfs/dbraw/zinc/42/84/52/368428452.db2.gz CVSQBMBZNMGSEO-NSHDSACASA-N 1 0 268.788 3.221 40 0 CGABRO CCCCC[C@H](C)[NH2+]CC(=O)Nc1ccccc1C ZINC000001684136 368431469 /nfs/dbraw/zinc/43/14/69/368431469.db2.gz DUFLNWUSGJBRFK-AWEZNQCLSA-N 1 0 262.397 3.492 40 0 CGABRO CC[NH+](CC)CCOC(=O)c1cc2ccccc2s1 ZINC000001701102 368432518 /nfs/dbraw/zinc/43/25/18/368432518.db2.gz KPBDAAXIAFMDTQ-UHFFFAOYSA-N 1 0 277.389 3.400 40 0 CGABRO C[C@@H](c1ccccc1)[C@@H]1OC[C@H](C[NH+]2CCCCC2)O1 ZINC000004012230 368525906 /nfs/dbraw/zinc/52/59/06/368525906.db2.gz ODYIWFSYHAIAAO-BHYGNILZSA-N 1 0 275.392 3.018 40 0 CGABRO COc1cc2c(cc1OC)[C@@H]([NH2+]C(C)C)CCCC2 ZINC000005962985 368566149 /nfs/dbraw/zinc/56/61/49/368566149.db2.gz SDVHGODVJOLSFK-AWEZNQCLSA-N 1 0 263.381 3.469 40 0 CGABRO Cc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000012169899 368605051 /nfs/dbraw/zinc/60/50/51/368605051.db2.gz BDARSKFJUUGBFY-CKEIUWERSA-N 1 0 291.435 3.021 40 0 CGABRO Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000016758605 368721533 /nfs/dbraw/zinc/72/15/33/368721533.db2.gz VGIPEGOQFNUFNF-NVXWUHKLSA-N 1 0 285.387 3.086 40 0 CGABRO CCOc1cc(C=O)ccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000015014297 368688621 /nfs/dbraw/zinc/68/86/21/368688621.db2.gz ZZKZXXSEENWWQU-AWEZNQCLSA-N 1 0 291.391 3.151 40 0 CGABRO CC(C)(C)c1ccc([C@@]23CCC[N@@H+]2CCCN3)cc1 ZINC000019329210 368748204 /nfs/dbraw/zinc/74/82/04/368748204.db2.gz XJYZXMQUOREZTJ-QGZVFWFLSA-N 1 0 258.409 3.226 40 0 CGABRO c1csc([C@H](Cc2ccsc2)[NH2+]C[C@H]2CCOC2)n1 ZINC000019406504 368751899 /nfs/dbraw/zinc/75/18/99/368751899.db2.gz DIWKJUZOBCAGTH-OLZOCXBDSA-N 1 0 294.445 3.115 40 0 CGABRO Clc1ccc(COC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000028521863 368886624 /nfs/dbraw/zinc/88/66/24/368886624.db2.gz YWMCIWWJLKONAP-NSHDSACASA-N 1 0 260.164 3.262 40 0 CGABRO [NH3+]CC1(Cc2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000061673988 369604177 /nfs/dbraw/zinc/60/41/77/369604177.db2.gz RJRONQHLPSCAFQ-UHFFFAOYSA-N 1 0 273.298 3.003 40 0 CGABRO C[N@@H+]1CCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216688 369814954 /nfs/dbraw/zinc/81/49/54/369814954.db2.gz HXODAQAAIWIYFP-HNNXBMFYSA-N 1 0 259.397 3.229 40 0 CGABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C)C ZINC000072212681 369815290 /nfs/dbraw/zinc/81/52/90/369815290.db2.gz HOLWNCOTOWYOMR-HNNXBMFYSA-N 1 0 261.413 3.475 40 0 CGABRO Cc1cc([C@H]2CCC[N@H+]2CC(C)C)c[nH]c1=S ZINC000072218264 369816301 /nfs/dbraw/zinc/81/63/01/369816301.db2.gz DPQCNVHLSZFYTK-CYBMUJFWSA-N 1 0 250.411 3.472 40 0 CGABRO CCC[N@H+]1CC=C(c2nc3cc(C)ccc3[nH]2)CC1 ZINC000073636288 369863481 /nfs/dbraw/zinc/86/34/81/369863481.db2.gz PAVFASPNTOYLPN-UHFFFAOYSA-N 1 0 255.365 3.370 40 0 CGABRO C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000074713451 369886435 /nfs/dbraw/zinc/88/64/35/369886435.db2.gz KOCUBRJDCKLJCJ-UHFFFAOYSA-N 1 0 287.190 3.274 40 0 CGABRO CN(Cc1ccccn1)[C@H]1CCC[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000096183061 370207525 /nfs/dbraw/zinc/20/75/25/370207525.db2.gz WDQYGYKLAFGFEI-NEWSRXKRSA-N 1 0 299.462 3.024 40 0 CGABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@]21CC[NH2+]1 ZINC000306145533 374128570 /nfs/dbraw/zinc/12/85/70/374128570.db2.gz IBYUEPWICTYPDV-MRXNPFEDSA-N 1 0 274.364 3.168 40 0 CGABRO CCCCCC[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000256049533 190002323 /nfs/dbraw/zinc/00/23/23/190002323.db2.gz AIWZDTRYPQVTJA-UHFFFAOYSA-N 1 0 263.307 3.109 40 0 CGABRO Cc1nn(C(C)C)cc1C[NH2+]CCc1ccccc1 ZINC000256050445 190002975 /nfs/dbraw/zinc/00/29/75/190002975.db2.gz FAXRLMKJGKEIAQ-UHFFFAOYSA-N 1 0 257.381 3.105 40 0 CGABRO Cc1nn(C2CCCC2)cc1C[NH2+]CCCOC(C)C ZINC000256051305 190003476 /nfs/dbraw/zinc/00/34/76/190003476.db2.gz IPKTUZNEODQQLH-UHFFFAOYSA-N 1 0 279.428 3.211 40 0 CGABRO Fc1ccc(C[NH2+]Cc2cnn(C3CCCC3)c2)s1 ZINC000256051195 190003836 /nfs/dbraw/zinc/00/38/36/190003836.db2.gz ICDJMQKSJDSXOZ-UHFFFAOYSA-N 1 0 279.384 3.489 40 0 CGABRO Cc1cc(-c2cccc(C[C@H]3CC[N@@H+](C(C)C)C3)n2)n[nH]1 ZINC000257207876 190012061 /nfs/dbraw/zinc/01/20/61/190012061.db2.gz BJSVGPSABNXNKO-CQSZACIVSA-N 1 0 284.407 3.053 40 0 CGABRO C[N@@H+]1CC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257222077 190014989 /nfs/dbraw/zinc/01/49/89/190014989.db2.gz DRURTBDKGZKWOJ-GFCCVEGCSA-N 1 0 276.767 3.338 40 0 CGABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccccc3C)C2)n1 ZINC000257223839 190015049 /nfs/dbraw/zinc/01/50/49/190015049.db2.gz DZCYCOMBRCJQFW-MRXNPFEDSA-N 1 0 267.376 3.083 40 0 CGABRO CCOc1ccccc1C[N@@H+]1CC[C@@H](c2nc(C)c[nH]2)C1 ZINC000257265322 190023425 /nfs/dbraw/zinc/02/34/25/190023425.db2.gz LYEVDSRERUVALA-OAHLLOKOSA-N 1 0 285.391 3.106 40 0 CGABRO Cc1nc(-c2ccc(C[C@H]3CC[N@@H+](C)C3)cn2)sc1C ZINC000257259913 190022449 /nfs/dbraw/zinc/02/24/49/190022449.db2.gz LAQNPFZZVLJAGX-CQSZACIVSA-N 1 0 287.432 3.316 40 0 CGABRO Cc1nc([C@@H]2CC[N@H+](Cc3cccnc3)C2)c2sccn12 ZINC000257273691 190024928 /nfs/dbraw/zinc/02/49/28/190024928.db2.gz NHSOPIXBCDZTDO-CQSZACIVSA-N 1 0 298.415 3.089 40 0 CGABRO Cc1c(C[N@@H+]2CCC[C@H]2CCc2ccnc(C)c2)cnn1C ZINC000257331245 190035506 /nfs/dbraw/zinc/03/55/06/190035506.db2.gz XRYPGPNFIASCJR-SFHVURJKSA-N 1 0 298.434 3.029 40 0 CGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(F)c1 ZINC000224957490 376289785 /nfs/dbraw/zinc/28/97/85/376289785.db2.gz PGCBWJZTMZDKQJ-MRXNPFEDSA-N 1 0 292.398 3.210 40 0 CGABRO CC(C)[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000225205360 376298925 /nfs/dbraw/zinc/29/89/25/376298925.db2.gz MQZMUABUYLPONN-AWEZNQCLSA-N 1 0 274.408 3.057 40 0 CGABRO CC[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000226724642 376371903 /nfs/dbraw/zinc/37/19/03/376371903.db2.gz RNHFVWMMSZZINT-NXHRZFHOSA-N 1 0 291.435 3.247 40 0 CGABRO C([C@H]1C[C@H]1C1CCCCC1)[N@@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000242554661 376783281 /nfs/dbraw/zinc/78/32/81/376783281.db2.gz MSFDEISPJHZVBL-OWSLCNJRSA-N 1 0 276.468 3.419 40 0 CGABRO OC[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000070453127 285272322 /nfs/dbraw/zinc/27/23/22/285272322.db2.gz JOHPZSUHNXTCCN-ZDUSSCGKSA-N 1 0 289.297 3.105 40 0 CGABRO Cc1nc(N)ccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218550 256708538 /nfs/dbraw/zinc/70/85/38/256708538.db2.gz LAXRCVVRRUPADS-MRXNPFEDSA-N 1 0 267.376 3.309 40 0 CGABRO FC(F)(F)c1cc(Cl)c2ncc3c([n+]2c1)CCCC3 ZINC000002144197 391913663 /nfs/dbraw/zinc/91/36/63/391913663.db2.gz UBSOOTHIBYBGCQ-UHFFFAOYSA-N 1 0 287.692 3.371 40 0 CGABRO CC1=C2C(C)=CC(=O)O[C@H]2N(c2ccc(C)c(Cl)c2)[NH2+]1 ZINC000059416956 392118362 /nfs/dbraw/zinc/11/83/62/392118362.db2.gz ZRBAITHXDBBELJ-HUUCEWRRSA-N 1 0 290.750 3.290 40 0 CGABRO CCN(CC)c1ncc([C@H]([NH3+])c2ccccc2)cc1C ZINC000072222232 392201568 /nfs/dbraw/zinc/20/15/68/392201568.db2.gz OLIWDYGGFQRUSF-MRXNPFEDSA-N 1 0 269.392 3.284 40 0 CGABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1N1CCCCC1 ZINC000072222468 392201766 /nfs/dbraw/zinc/20/17/66/392201766.db2.gz UTJPDTDSUHGAEG-KRWDZBQOSA-N 1 0 281.403 3.428 40 0 CGABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1N1CCCC1 ZINC000072222444 392201803 /nfs/dbraw/zinc/20/18/03/392201803.db2.gz QDEZLDZOGFYIAL-MRXNPFEDSA-N 1 0 267.376 3.038 40 0 CGABRO CCC[C@H]([NH3+])CN(Cc1ccco1)C1CCCC1 ZINC000096523973 392257703 /nfs/dbraw/zinc/25/77/03/392257703.db2.gz MTZAMMGGESGAKY-ZDUSSCGKSA-N 1 0 250.386 3.152 40 0 CGABRO CN(Cc1nc2cc(Cl)ccc2s1)C1CC[NH2+]CC1 ZINC000096510473 392257868 /nfs/dbraw/zinc/25/78/68/392257868.db2.gz KBCFKSYDVXZGIT-UHFFFAOYSA-N 1 0 295.839 3.134 40 0 CGABRO Cc1cc(N)c(NC(=O)C(C)C)cc1N1CCC[C@H](C)C1 ZINC000216864815 392992569 /nfs/dbraw/zinc/99/25/69/392992569.db2.gz UMVVSMBPPBPDNF-LBPRGKRZSA-N 1 0 289.423 3.408 40 0 CGABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]([NH3+])C(C)(C)C ZINC000072208711 397640065 /nfs/dbraw/zinc/64/00/65/397640065.db2.gz VJANFPNTCOWLKL-VXGBXAGGSA-N 1 0 270.417 3.149 40 0 CGABRO CCOC(=O)C[C@@H]([NH2+]C1CC1)c1ccccc1Cl ZINC000072210287 397640485 /nfs/dbraw/zinc/64/04/85/397640485.db2.gz NOQMPPRFXUOXII-CYBMUJFWSA-N 1 0 267.756 3.086 40 0 CGABRO c1ccc2cc(C[n+]3ccccc3C3OCCO3)ccc2c1 ZINC000001727449 169751573 /nfs/dbraw/zinc/75/15/73/169751573.db2.gz PLXAQYLLYGNLNC-UHFFFAOYSA-N 1 0 292.358 3.221 40 0 CGABRO CC[C@H](OC[C@H](O)C[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000006355952 170195018 /nfs/dbraw/zinc/19/50/18/170195018.db2.gz RNHFVWMMSZZINT-JQHSSLGASA-N 1 0 291.435 3.247 40 0 CGABRO CCOC(=O)C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000006385679 170197160 /nfs/dbraw/zinc/19/71/60/170197160.db2.gz WTRSETHGBYJVQN-HNNXBMFYSA-N 1 0 261.365 3.167 40 0 CGABRO CCOc1ccc(C[NH2+]CCc2ccc(OC)cc2)cc1 ZINC000008324113 170330933 /nfs/dbraw/zinc/33/09/33/170330933.db2.gz WKKSRWZDAANDRY-UHFFFAOYSA-N 1 0 285.387 3.426 40 0 CGABRO CCc1cccc2cc(C[NH2+]Cc3ccccc3)c(=O)[nH]c21 ZINC000013566535 170563227 /nfs/dbraw/zinc/56/32/27/170563227.db2.gz DTZZKDXMWBZVPE-UHFFFAOYSA-N 1 0 292.382 3.380 40 0 CGABRO COCCC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000020142615 171028365 /nfs/dbraw/zinc/02/83/65/171028365.db2.gz WUPLMKYOHNKMQZ-ZDUSSCGKSA-N 1 0 251.370 3.161 40 0 CGABRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N)cc1Br ZINC000037460437 173223928 /nfs/dbraw/zinc/22/39/28/173223928.db2.gz RPLBNZCOMMZAMU-SNVBAGLBSA-N 1 0 283.213 3.406 40 0 CGABRO Fc1cccc(Cc2cccc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000072348399 176373051 /nfs/dbraw/zinc/37/30/51/176373051.db2.gz VQFAHLUWAWKHKY-AWEZNQCLSA-N 1 0 270.351 3.279 40 0 CGABRO Fc1ccccc1-c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072356395 176375626 /nfs/dbraw/zinc/37/56/26/176375626.db2.gz NTCRFJCTYMHRRT-GFCCVEGCSA-N 1 0 256.324 3.355 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072361654 176377788 /nfs/dbraw/zinc/37/77/88/176377788.db2.gz KMRMMUJQDBSJQG-CQSZACIVSA-N 1 0 298.390 3.252 40 0 CGABRO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@@H+](C)C3)n2)n1 ZINC000072375910 176385186 /nfs/dbraw/zinc/38/51/86/176385186.db2.gz WIESMBFPPKAWRE-AWEZNQCLSA-N 1 0 297.406 3.041 40 0 CGABRO c1cc([C@@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)n[nH]1 ZINC000072386297 176391297 /nfs/dbraw/zinc/39/12/97/176391297.db2.gz FFHPODIKTINKRU-OAHLLOKOSA-N 1 0 280.375 3.271 40 0 CGABRO CC(C)[NH2+][C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079437253 177490352 /nfs/dbraw/zinc/49/03/52/177490352.db2.gz OMQCCLGWHQLMJN-HOTGVXAUSA-N 1 0 290.407 3.222 40 0 CGABRO COc1cccc(C=O)c1OCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000217787932 262344518 /nfs/dbraw/zinc/34/45/18/262344518.db2.gz QENPFQRUWYTOOE-OKILXGFUSA-N 1 0 291.391 3.149 40 0 CGABRO c1cnc2[nH]c([C@H]3CC[N@@H+](C4CCCCC4)C3)nc2c1 ZINC000049168794 275073728 /nfs/dbraw/zinc/07/37/28/275073728.db2.gz LBLHUBSYFRKPSW-LBPRGKRZSA-N 1 0 270.380 3.080 40 0 biogenic,in-vitro CGABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@]1(CC[NH2+]1)CCO2 ZINC000306145370 275830231 /nfs/dbraw/zinc/83/02/31/275830231.db2.gz CQHRUMFLDNGLLT-MRXNPFEDSA-N 1 0 290.363 3.005 40 0 CGABRO CCC(=O)OC1(c2ccccc2)[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000004712834 276204648 /nfs/dbraw/zinc/20/46/48/276204648.db2.gz BNLWVZWKDILPMJ-KBPBESRZSA-N 1 0 275.392 3.053 40 0 CGABRO CCCCCCO[C@@H](C[NH3+])C(Cl)(Cl)Cl ZINC000005973053 278671012 /nfs/dbraw/zinc/67/10/12/278671012.db2.gz NDYMSWQQMXRGLU-QMMMGPOBSA-N 1 0 262.608 3.281 40 0 CGABRO CN(c1ccccc1)c1ncccc1[C@H]1CCC[NH2+]1 ZINC000072214241 289784751 /nfs/dbraw/zinc/78/47/51/289784751.db2.gz SIHZVGUXOHZOEC-OAHLLOKOSA-N 1 0 253.349 3.274 40 0 CGABRO C[N@@H+]1CC[C@@]23CCCC[C@@H]2[C@@H]1CC1=C3CC(=O)CC1 ZINC000006480876 290188342 /nfs/dbraw/zinc/18/83/42/290188342.db2.gz CCZFGZJMYJUYAZ-PVAVHDDUSA-N 1 0 259.393 3.320 40 0 CGABRO C[N@@H+]1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257252156 290317856 /nfs/dbraw/zinc/31/78/56/290317856.db2.gz JTTBAQSYDVCLKG-ZOBUZTSGSA-N 1 0 290.382 3.020 40 0 CGABRO [NH3+]CCCNc1ccnc2c(Cl)c(Cl)ccc12 ZINC000222680341 327935056 /nfs/dbraw/zinc/93/50/56/327935056.db2.gz RSRIVRLRMIXELB-UHFFFAOYSA-N 1 0 270.163 3.302 40 0 CGABRO CC1CC[NH+](CCCCOc2cccc(C=O)c2)CC1 ZINC000217794672 528237354 /nfs/dbraw/zinc/23/73/54/528237354.db2.gz VLVYIVJATQCFEG-UHFFFAOYSA-N 1 0 275.392 3.390 40 0 CGABRO CC[NH2+]CCC[C@@H](C)Nc1cc(OC)cc2cccnc21 ZINC000001873633 528292035 /nfs/dbraw/zinc/29/20/35/528292035.db2.gz UEWXIZBKAUNLJF-CYBMUJFWSA-N 1 0 287.407 3.434 40 0 CGABRO C[C@@H](c1ccc(O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC001529031574 938070299 /nfs/dbraw/zinc/07/02/99/938070299.db2.gz HVCGSSXLJFYAMF-AWEZNQCLSA-N 1 0 285.387 3.484 40 0 CGABRO COC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(C)s1)CCO2 ZINC000096051842 185074162 /nfs/dbraw/zinc/07/41/62/185074162.db2.gz UAYOUGJOYXMCOJ-GOEBONIOSA-N 1 0 295.448 3.074 40 0 CGABRO CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccs1)C2 ZINC000096056791 185078042 /nfs/dbraw/zinc/07/80/42/185078042.db2.gz NLEXSHPMPYXTBJ-CVEARBPZSA-N 1 0 295.448 3.156 40 0 CGABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000096106535 185098461 /nfs/dbraw/zinc/09/84/61/185098461.db2.gz JOXPACFJMMKUIV-HNNXBMFYSA-N 1 0 295.810 3.110 40 0 CGABRO CCCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000248107489 346373631 /nfs/dbraw/zinc/37/36/31/346373631.db2.gz PQAWTKDGLUPFGC-WBVHZDCISA-N 1 0 291.435 3.253 40 0 CGABRO COc1ccc(-n2cccc2C[NH2+]CC(C)C)cc1 ZINC000113704173 186591193 /nfs/dbraw/zinc/59/11/93/186591193.db2.gz MPZSDELBOXCGHW-UHFFFAOYSA-N 1 0 258.365 3.232 40 0 CGABRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000156165250 188247176 /nfs/dbraw/zinc/24/71/76/188247176.db2.gz SUADLAKCMLFWMR-OAHLLOKOSA-N 1 0 268.360 3.080 40 0 CGABRO CC[C@@]1(OC(=O)c2ccccc2)C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000000079792 368284371 /nfs/dbraw/zinc/28/43/71/368284371.db2.gz NKBPLOQRMUVJTN-JJRVBVJISA-N 1 0 275.392 3.352 40 0 CGABRO CCOc1ccc2[nH]c(C)c(C[NH+](CC)CC)c(=O)c2c1 ZINC000000948992 368397869 /nfs/dbraw/zinc/39/78/69/368397869.db2.gz MENZLARACWXBHD-UHFFFAOYSA-N 1 0 288.391 3.077 40 0 CGABRO CC[NH+](CC)CC[C@@H](O)c1cnc(-c2ccccc2)nc1C ZINC000001596769 368421892 /nfs/dbraw/zinc/42/18/92/368421892.db2.gz VWUJAYNGIKLTBV-QGZVFWFLSA-N 1 0 299.418 3.217 40 0 CGABRO CC(C)CC[NH2+][C@@H](C)[C@@H](C)OC(=O)c1ccccc1 ZINC000001669891 368428488 /nfs/dbraw/zinc/42/84/88/368428488.db2.gz MYABYHYFAJCXMS-UONOGXRCSA-N 1 0 263.381 3.256 40 0 CGABRO CC(C)[C@@H]1C[C@H](O)[C@H](C)[C@@H](C[NH+]2CCCCC2)C1 ZINC000001688813 368431533 /nfs/dbraw/zinc/43/15/33/368431533.db2.gz HHGGWQPKVIPABL-QXSJWSMHSA-N 1 0 253.430 3.152 40 0 CGABRO C[NH+](C)Cc1ccccc1C(=O)Nc1ccccc1 ZINC000001713603 368434589 /nfs/dbraw/zinc/43/45/89/368434589.db2.gz CMJXYRBTXDZQFI-UHFFFAOYSA-N 1 0 254.333 3.001 40 0 CGABRO CC[C@@]12CCC[N@@H+]3CC[C@]4(c5cccc(O)c5N[C@@H]4CC1)[C@H]32 ZINC000001715845 368434643 /nfs/dbraw/zinc/43/46/43/368434643.db2.gz CEZHSDCDXAKXAD-NXWXRZEISA-N 1 0 298.430 3.482 40 0 CGABRO COc1cc2ccccc2[n+](C)c1-c1ccccc1F ZINC000001724716 368435724 /nfs/dbraw/zinc/43/57/24/368435724.db2.gz KYRMLHPTYZSWTI-UHFFFAOYSA-N 1 0 268.311 3.479 40 0 CGABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000002694452 368472612 /nfs/dbraw/zinc/47/26/12/368472612.db2.gz KCXDJIWVKTZZAH-LSDHHAIUSA-N 1 0 277.408 3.036 40 0 CGABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cc[n+](C)cc1 ZINC000005496293 368562668 /nfs/dbraw/zinc/56/26/68/368562668.db2.gz IMVRZOOWTJNONJ-FVQBIDKESA-N 1 0 276.400 3.129 40 0 CGABRO Cc1ccc(/C=C/C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000010277159 368578349 /nfs/dbraw/zinc/57/83/49/368578349.db2.gz AZONOWOXCYWNKZ-ZHACJKMWSA-N 1 0 286.419 3.000 40 0 CGABRO Fc1ccccc1CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019349153 368748949 /nfs/dbraw/zinc/74/89/49/368748949.db2.gz PINDRGIBDITAQC-HDMKZQKVSA-N 1 0 288.410 3.132 40 0 CGABRO C[C@H](CN(CC[NH+](C)C)Cc1ccncc1)c1ccccc1 ZINC000019455995 368753332 /nfs/dbraw/zinc/75/33/32/368753332.db2.gz VLMVAJJDFXPVMX-QGZVFWFLSA-N 1 0 297.446 3.249 40 0 CGABRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000019963779 368792167 /nfs/dbraw/zinc/79/21/67/368792167.db2.gz WWLXASZDMMYFBT-BBRMVZONSA-N 1 0 263.381 3.303 40 0 CGABRO COCC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000020085577 368797531 /nfs/dbraw/zinc/79/75/31/368797531.db2.gz JKEQZKZJNOQGLM-CYBMUJFWSA-N 1 0 251.370 3.018 40 0 CGABRO C[C@@H]([N@H+](C)Cc1ccccc1)[C@@](C)(O)c1ccccc1 ZINC000031924770 368921541 /nfs/dbraw/zinc/92/15/41/368921541.db2.gz WZULUTBDZYYRJF-CRAIPNDOSA-N 1 0 269.388 3.415 40 0 CGABRO CCN(CC)[C@H](C[NH3+])c1c(OC)ccc2ccccc21 ZINC000032048926 368923773 /nfs/dbraw/zinc/92/37/73/368923773.db2.gz JPFBOHIEDJVHJK-OAHLLOKOSA-N 1 0 272.392 3.190 40 0 CGABRO c1coc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC000049169465 369391387 /nfs/dbraw/zinc/39/13/87/369391387.db2.gz SVHDBJSTWWNHLC-AWEZNQCLSA-N 1 0 295.342 3.319 40 0 biogenic,in-vitro CGABRO CC(C)(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000052167167 369465838 /nfs/dbraw/zinc/46/58/38/369465838.db2.gz FEDQIKIAQOBVMA-UHFFFAOYSA-N 1 0 288.435 3.335 40 0 CGABRO C[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216687 369816071 /nfs/dbraw/zinc/81/60/71/369816071.db2.gz HXODAQAAIWIYFP-OAHLLOKOSA-N 1 0 259.397 3.229 40 0 CGABRO CC[NH+](CC)CCC[C@H](C)NC(=O)OC(C)(C)C ZINC000083502174 370006474 /nfs/dbraw/zinc/00/64/74/370006474.db2.gz SKGGLJISKPQODA-LBPRGKRZSA-N 1 0 258.406 3.022 40 0 CGABRO Cc1cccnc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000093169623 370112838 /nfs/dbraw/zinc/11/28/38/370112838.db2.gz ZHSSHWRHKGMMRX-CYBMUJFWSA-N 1 0 273.405 3.226 40 0 CGABRO Fc1ccc2c(c1)C1(CN2)CC[NH+](Cc2cccnc2)CC1 ZINC000096261810 370209083 /nfs/dbraw/zinc/20/90/83/370209083.db2.gz IJOKNYRUZFFNQP-UHFFFAOYSA-N 1 0 297.377 3.180 40 0 CGABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@]21CC[NH2+]1 ZINC000306145532 374127988 /nfs/dbraw/zinc/12/79/88/374127988.db2.gz IBYUEPWICTYPDV-INIZCTEOSA-N 1 0 274.364 3.168 40 0 CGABRO CC[NH+](CC)CCCNCc1cc(C2CC2)nn1C(C)C ZINC000256053221 190004482 /nfs/dbraw/zinc/00/44/82/190004482.db2.gz QNXZOTMOLCJVIH-UHFFFAOYSA-N 1 0 292.471 3.163 40 0 CGABRO COc1ccccc1C[NH2+]Cc1ccc(F)s1 ZINC000256053097 190004583 /nfs/dbraw/zinc/00/45/83/190004583.db2.gz PZRDZLCLNDASCS-UHFFFAOYSA-N 1 0 251.326 3.186 40 0 CGABRO CC(C)[NH+]1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257201811 190011103 /nfs/dbraw/zinc/01/11/03/190011103.db2.gz AJDFXXLZOYVPIF-UHFFFAOYSA-N 1 0 297.406 3.203 40 0 CGABRO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257211798 190012235 /nfs/dbraw/zinc/01/22/35/190012235.db2.gz CALJYLKETSVFGR-QGZVFWFLSA-N 1 0 298.434 3.456 40 0 CGABRO CCCn1nccc1-c1cccc(CC2CC[NH+](C)CC2)n1 ZINC000257253912 190020667 /nfs/dbraw/zinc/02/06/67/190020667.db2.gz KATSTLFBWGSTHA-UHFFFAOYSA-N 1 0 298.434 3.239 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H](Cc2ccnc(-c3ccnn3C)c2)C1 ZINC000257241612 190018353 /nfs/dbraw/zinc/01/83/53/190018353.db2.gz HYSKERPBETZDCL-MRXNPFEDSA-N 1 0 298.434 3.145 40 0 CGABRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000257241509 190018774 /nfs/dbraw/zinc/01/87/74/190018774.db2.gz HYGXVRNMHAGONW-ZDUSSCGKSA-N 1 0 280.375 3.189 40 0 CGABRO Cc1ccc(C[NH+]2CCC(c3cnccn3)CC2)s1 ZINC000257258688 190021851 /nfs/dbraw/zinc/02/18/51/190021851.db2.gz KVCJCPIQWBETIJ-UHFFFAOYSA-N 1 0 273.405 3.226 40 0 CGABRO CC(C)n1nccc1-c1cc([C@H]2CCC[N@@H+]2C)ccn1 ZINC000257289194 190027651 /nfs/dbraw/zinc/02/76/51/190027651.db2.gz PXLIAENNXNRXNG-OAHLLOKOSA-N 1 0 270.380 3.293 40 0 CGABRO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cccs2)n1 ZINC000257298969 190028980 /nfs/dbraw/zinc/02/89/80/190028980.db2.gz RODCFULDJWMUPP-AWEZNQCLSA-N 1 0 259.378 3.184 40 0 CGABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1F ZINC000257329085 190034553 /nfs/dbraw/zinc/03/45/53/190034553.db2.gz XIIILYQGJRDDHV-CYBMUJFWSA-N 1 0 289.329 3.134 40 0 CGABRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC000217782323 376179778 /nfs/dbraw/zinc/17/97/78/376179778.db2.gz CQXSLHLPNXBOTN-UKRRQHHQSA-N 1 0 290.407 3.252 40 0 CGABRO CC[N@H+](Cc1ccncc1)Cc1cccc(OC)c1 ZINC000199421714 376123549 /nfs/dbraw/zinc/12/35/49/376123549.db2.gz GCDLIEVMFZGGBW-UHFFFAOYSA-N 1 0 256.349 3.112 40 0 CGABRO CC(C)[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000225205320 376298527 /nfs/dbraw/zinc/29/85/27/376298527.db2.gz MQZMUABUYLPONN-CQSZACIVSA-N 1 0 274.408 3.057 40 0 CGABRO CCN(CC)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000019260214 284766089 /nfs/dbraw/zinc/76/60/89/284766089.db2.gz YFADDHNWQFVQJP-LBPRGKRZSA-N 1 0 261.196 3.335 40 0 CGABRO Nc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212352 392197658 /nfs/dbraw/zinc/19/76/58/392197658.db2.gz JXNYSCPKXLVWAZ-HNNXBMFYSA-N 1 0 253.349 3.001 40 0 CGABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(C)CC ZINC000072212782 392199105 /nfs/dbraw/zinc/19/91/05/392199105.db2.gz OBVGXDJLIUFHJE-HNNXBMFYSA-N 1 0 261.413 3.475 40 0 CGABRO Cc1nc(N)ccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218549 392200653 /nfs/dbraw/zinc/20/06/53/392200653.db2.gz LAXRCVVRRUPADS-INIZCTEOSA-N 1 0 267.376 3.309 40 0 CGABRO c1ccc2c(c1)cccc2COC1CC2(C[NH2+]C2)C1 ZINC000096509059 392256474 /nfs/dbraw/zinc/25/64/74/392256474.db2.gz FSVILGOESAZUTM-UHFFFAOYSA-N 1 0 253.345 3.108 40 0 CGABRO CCOC(=O)C[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000072210315 397640586 /nfs/dbraw/zinc/64/05/86/397640586.db2.gz WPFDDZGLXLXGBC-OAHLLOKOSA-N 1 0 279.355 3.306 40 0 CGABRO C[C@@H](c1cccc(F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172645656 287143903 /nfs/dbraw/zinc/14/39/03/287143903.db2.gz GQJDHYWKCNGXLN-LSDHHAIUSA-N 1 0 276.399 3.304 40 0 CGABRO CCc1cc2c(ncnc2NCC[NH+]2CCCCC2)s1 ZINC000005008137 170054779 /nfs/dbraw/zinc/05/47/79/170054779.db2.gz GOSJCDUOKFRCLL-UHFFFAOYSA-N 1 0 290.436 3.152 40 0 CGABRO CC(=O)c1cccc2cc([C@@H](O)C[NH2+]C(C)(C)C)oc21 ZINC000005167640 170073016 /nfs/dbraw/zinc/07/30/16/170073016.db2.gz UJFKLSLVTSFAQN-ZDUSSCGKSA-N 1 0 275.348 3.057 40 0 in-vitro CGABRO CCCCCCOCCOCC[NH+]1CCCCC1 ZINC000005418131 170096994 /nfs/dbraw/zinc/09/69/94/170096994.db2.gz PWNUOQSRPASNBD-UHFFFAOYSA-N 1 0 257.418 3.086 40 0 CGABRO CC(=O)O[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)[N@H+]2C ZINC000005519254 170107802 /nfs/dbraw/zinc/10/78/02/170107802.db2.gz VOVORVLFYOGXMX-LVQVYYBASA-N 1 0 293.794 3.222 40 0 CGABRO COc1ccc([C@@H](OCC[NH+](C)C)c2ccccc2)cc1 ZINC000005764844 170138343 /nfs/dbraw/zinc/13/83/43/170138343.db2.gz BXCMCXBSUDRYPF-SFHVURJKSA-N 1 0 285.387 3.363 40 0 in-man CGABRO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000006008995 170167904 /nfs/dbraw/zinc/16/79/04/170167904.db2.gz DLZMVAOOHDIQFA-QGZVFWFLSA-N 1 0 291.435 3.308 40 0 CGABRO Cc1c(Cl)cccc1-c1ccc(C[NH2+]C[C@@H](C)O)o1 ZINC000007538963 170290292 /nfs/dbraw/zinc/29/02/92/170290292.db2.gz KUWGOUGNUNNVRI-SNVBAGLBSA-N 1 0 279.767 3.379 40 0 CGABRO CCOc1cc(C[NH2+]CC(C)C)cc(Cl)c1OC ZINC000008253653 170327520 /nfs/dbraw/zinc/32/75/20/170327520.db2.gz NBQPSUPVDUYGHF-UHFFFAOYSA-N 1 0 271.788 3.493 40 0 CGABRO CCOc1ccc(C[NH2+]CC(C)C)cc1OCC ZINC000008324856 170331358 /nfs/dbraw/zinc/33/13/58/170331358.db2.gz GHFUIBQXRZTUHC-UHFFFAOYSA-N 1 0 251.370 3.230 40 0 CGABRO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000008326648 170331395 /nfs/dbraw/zinc/33/13/95/170331395.db2.gz GXEABTYHIZXZEP-VIFPVBQESA-N 1 0 257.761 3.245 40 0 CGABRO CCCCc1nc(C)cc(NCCCCCC[NH3+])n1 ZINC000008731077 170351183 /nfs/dbraw/zinc/35/11/83/170351183.db2.gz YZCULQJLBZHRTO-UHFFFAOYSA-N 1 0 264.417 3.059 40 0 CGABRO O=C(NCCC[NH+]1CCCCCC1)c1cccc(Cl)c1 ZINC000010111079 170397819 /nfs/dbraw/zinc/39/78/19/170397819.db2.gz SDEDNTJQIFOJNN-UHFFFAOYSA-N 1 0 294.826 3.336 40 0 CGABRO Cc1cccc(C)c1OC[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000013305105 170542618 /nfs/dbraw/zinc/54/26/18/170542618.db2.gz CLXJBSWMGNPNLE-BRWVUGGUSA-N 1 0 291.435 3.306 40 0 CGABRO [NH3+]Cc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000020224345 171086782 /nfs/dbraw/zinc/08/67/82/171086782.db2.gz IDCQPAYFLFTZMT-UHFFFAOYSA-N 1 0 260.724 3.051 40 0 CGABRO CC(C)(C)c1ccc2nc(N3CC[NH2+]CC3)sc2c1 ZINC000072209855 176342680 /nfs/dbraw/zinc/34/26/80/176342680.db2.gz PTSIZSIQEFNQTL-UHFFFAOYSA-N 1 0 275.421 3.003 40 0 CGABRO Cc1ccccc1NC(=O)c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072365591 176380556 /nfs/dbraw/zinc/38/05/56/176380556.db2.gz SZCKXMJWGCFVCD-CQSZACIVSA-N 1 0 295.386 3.109 40 0 CGABRO c1cc(C2CC[NH2+]CC2)cc(NC2CCCCC2)n1 ZINC000072386434 176391673 /nfs/dbraw/zinc/39/16/73/176391673.db2.gz LGTDZKOAMDGZTI-UHFFFAOYSA-N 1 0 259.397 3.293 40 0 CGABRO Cc1cc(-c2ccccc2C)nc(C2CC[NH2+]CC2)n1 ZINC000072386629 176392229 /nfs/dbraw/zinc/39/22/29/176392229.db2.gz RBPSRKVVWRDPBL-UHFFFAOYSA-N 1 0 267.376 3.227 40 0 CGABRO CC[C@@]12CCCC[C@@H]1[C@H]([NH2+]C)Cc1ccc(OC)c(O)c12 ZINC000001597202 287441995 /nfs/dbraw/zinc/44/19/95/287441995.db2.gz CBFWFEDSFMJHCD-HBUWYVDXSA-N 1 0 289.419 3.383 40 0 CGABRO CCOc1ccc(C[NH2+]Cc2ccncc2)cc1OCC ZINC000006870547 260024073 /nfs/dbraw/zinc/02/40/73/260024073.db2.gz NLRDDQZNZKLMGP-UHFFFAOYSA-N 1 0 286.375 3.169 40 0 CGABRO Cc1ccc([C@@H]2SC(=[NH2+])N[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC000059500966 262390512 /nfs/dbraw/zinc/39/05/12/262390512.db2.gz ILDUQMPCSDTLHJ-OAGGEKHMSA-N 1 0 298.411 3.200 40 0 CGABRO C[NH+](C)CC[C@H](c1ccccc1)[C@@H](CO)c1ccccc1 ZINC000001557239 273797416 /nfs/dbraw/zinc/79/74/16/273797416.db2.gz HKNDXZDSLQGSCE-MOPGFXCFSA-N 1 0 283.415 3.498 40 0 CGABRO CO[C@H](C)C[N@H+](C)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000019581460 274074388 /nfs/dbraw/zinc/07/43/88/274074388.db2.gz GSWRWCFBDUOJNU-SNVBAGLBSA-N 1 0 264.344 3.082 40 0 CGABRO O=C1N(c2ccccc2)c2ccc(F)cc2C12CC[NH2+]CC2 ZINC000109763529 275021420 /nfs/dbraw/zinc/02/14/20/275021420.db2.gz LVNZRVIOAVKJHR-UHFFFAOYSA-N 1 0 296.345 3.125 40 0 CGABRO CC(C)Cn1c2ccc(Cl)cc2nc1[C@@H](C)[NH3+] ZINC000040417747 275604279 /nfs/dbraw/zinc/60/42/79/275604279.db2.gz OHLRKBZXMIOCEH-SECBINFHSA-N 1 0 251.761 3.365 40 0 CGABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cc[n+](C)cc1 ZINC000005496295 277796553 /nfs/dbraw/zinc/79/65/53/277796553.db2.gz IMVRZOOWTJNONJ-VNQPRFMTSA-N 1 0 276.400 3.129 40 0 CGABRO CC(C)(C)[NH2+]C[C@@H](O)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000035075041 278370319 /nfs/dbraw/zinc/37/03/19/278370319.db2.gz KGLGBKOSMPXHRX-FSZRXZPDSA-N 1 0 297.483 3.357 40 0 CGABRO CC1=C[C@H](C)[C@@H]([C@@H]2OC[C@H](C[NH+]3CCCCC3)O2)[C@H](C)C1 ZINC000001229977 278509170 /nfs/dbraw/zinc/50/91/70/278509170.db2.gz RJXDBTDFBZRPHG-IGKNDFSCSA-N 1 0 293.451 3.452 40 0 CGABRO [NH3+]C[C@H](c1cc(Cl)cc(Cl)c1)N1CCCC1 ZINC000037424719 279647439 /nfs/dbraw/zinc/64/74/39/279647439.db2.gz ILAKADBIJAKXKR-GFCCVEGCSA-N 1 0 259.180 3.089 40 0 CGABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Cl)cc1 ZINC000019575110 288313785 /nfs/dbraw/zinc/31/37/85/288313785.db2.gz ZIOAUZBPCQZRLP-DOMZBBRYSA-N 1 0 264.800 3.009 40 0 CGABRO Cc1ncc(C[NH2+][C@@H]2[C@@H]3CCC[C@H]3[C@H]2c2ccccc2)cn1 ZINC000247923471 334291418 /nfs/dbraw/zinc/29/14/18/334291418.db2.gz AGRNACYLOPFGLV-NCXUSEDFSA-N 1 0 293.414 3.457 40 0 CGABRO CC1CCN([C@H](C[NH3+])c2ccccc2Br)CC1 ZINC000019508108 567943375 /nfs/dbraw/zinc/94/33/75/567943375.db2.gz MCUDZTLUMPRNFE-CQSZACIVSA-N 1 0 297.240 3.181 40 0 CGABRO Cc1cc(NCC[NH3+])c2cc(Cl)cc(Cl)c2n1 ZINC000222689241 230398327 /nfs/dbraw/zinc/39/83/27/230398327.db2.gz BPUCAWUDWNVESZ-UHFFFAOYSA-N 1 0 270.163 3.221 40 0 CGABRO CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccsc1)C2 ZINC000096039316 185069240 /nfs/dbraw/zinc/06/92/40/185069240.db2.gz LAAKIQNSRBQHRA-HOTGVXAUSA-N 1 0 295.448 3.156 40 0 CGABRO c1cc(C[NH+]2CCC3(C[C@H](c4cccnc4)CO3)CC2)co1 ZINC000096047771 185072389 /nfs/dbraw/zinc/07/23/89/185072389.db2.gz LJYOWIOQELNKKT-KRWDZBQOSA-N 1 0 298.386 3.213 40 0 CGABRO CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)s1)C2 ZINC000096107214 185099593 /nfs/dbraw/zinc/09/95/93/185099593.db2.gz WZFALHYHYBXQTL-ZBFHGGJFSA-N 1 0 295.448 3.217 40 0 CGABRO CCC[N@@H+]1C[C@H]2Cc3c(c(-c4cccc(F)c4)nn3C)[C@H]2C1 ZINC000096145671 185106289 /nfs/dbraw/zinc/10/62/89/185106289.db2.gz WFOQHLZIMBGCBM-HIFRSBDPSA-N 1 0 299.393 3.208 40 0 CGABRO CNc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C(C)C)[nH+]1 ZINC000329018875 136377827 /nfs/dbraw/zinc/37/78/27/136377827.db2.gz NTFRAJNGCHAFSV-ZDUSSCGKSA-N 1 0 296.418 3.015 40 0 CGABRO CSc1ncc(C[NH2+]CCc2c[nH]c3ccccc23)cn1 ZINC000062717232 345240294 /nfs/dbraw/zinc/24/02/94/345240294.db2.gz NXGKMIPKCXPHSU-UHFFFAOYSA-N 1 0 298.415 3.012 40 0 CGABRO Cc1cc[n+](Cc2ccc(Br)cc2)cc1 ZINC000000084099 368285623 /nfs/dbraw/zinc/28/56/23/368285623.db2.gz CDWADXHBAWORDR-UHFFFAOYSA-N 1 0 263.158 3.093 40 0 CGABRO C[N@H+]1C=C[C@H](C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000001584459 368420502 /nfs/dbraw/zinc/42/05/02/368420502.db2.gz HLSVCEOMZDFUDB-SFHVURJKSA-N 1 0 279.383 3.388 40 0 CGABRO C[NH+](C)CCc1c[nH]c2ccc(Br)cc12 ZINC000001616757 368423603 /nfs/dbraw/zinc/42/36/03/368423603.db2.gz ATEYZYQLBQUZJE-UHFFFAOYSA-N 1 0 267.170 3.035 40 0 CGABRO C[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000001667130 368429131 /nfs/dbraw/zinc/42/91/31/368429131.db2.gz SKGVDOBLIRESNQ-KRWDZBQOSA-N 1 0 271.360 3.207 40 0 CGABRO CC(C)CC[n+]1cccc(C(=O)c2ccccc2)c1 ZINC000001667318 368429162 /nfs/dbraw/zinc/42/91/62/368429162.db2.gz FZIIRUJPTWXCBO-UHFFFAOYSA-N 1 0 254.353 3.251 40 0 CGABRO CC(C)CC[NH2+][C@@H](C)[C@H](C)OC(=O)c1ccccc1 ZINC000001669893 368429375 /nfs/dbraw/zinc/42/93/75/368429375.db2.gz MYABYHYFAJCXMS-KBPBESRZSA-N 1 0 263.381 3.256 40 0 CGABRO O=C(CC[NH+]1C[C@H]2CC=CC[C@@H]2C1)c1ccccc1 ZINC000001677251 368429995 /nfs/dbraw/zinc/42/99/95/368429995.db2.gz QILOOQAJTKONQY-HZPDHXFCSA-N 1 0 255.361 3.157 40 0 CGABRO C[N@@H+]1CC[C@H](OC(c2ccccc2)c2ccccc2)C1 ZINC000001672572 368430272 /nfs/dbraw/zinc/43/02/72/368430272.db2.gz MGXCSSMKOVWQDN-KRWDZBQOSA-N 1 0 267.372 3.497 40 0 CGABRO C[N@H+](CCc1cn[nH]c1)Cc1ccccc1OC1CCCC1 ZINC000013995607 368671946 /nfs/dbraw/zinc/67/19/46/368671946.db2.gz BMBIJZFXOSPLNS-UHFFFAOYSA-N 1 0 299.418 3.406 40 0 CGABRO Cc1nc([C@H]2CCC[N@H+](CC3CC3)C2)c2ccccn12 ZINC000019240661 368745690 /nfs/dbraw/zinc/74/56/90/368745690.db2.gz WAAFCTXTENMGPJ-HNNXBMFYSA-N 1 0 269.392 3.232 40 0 CGABRO c1cc(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)cs1 ZINC000019346530 368748024 /nfs/dbraw/zinc/74/80/24/368748024.db2.gz PMBQCVJITZBYBW-UHFFFAOYSA-N 1 0 298.415 3.399 40 0 CGABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019462614 368754380 /nfs/dbraw/zinc/75/43/80/368754380.db2.gz OLCQIXXLUAVANR-ZIAGYGMSSA-N 1 0 282.391 3.017 40 0 CGABRO C/C(=C\c1ccccc1)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000019575026 368757245 /nfs/dbraw/zinc/75/72/45/368757245.db2.gz AEWGFUWDVPVAQA-CSXOKHGMSA-N 1 0 270.420 3.258 40 0 CGABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(Cl)c1 ZINC000019575774 368757272 /nfs/dbraw/zinc/75/72/72/368757272.db2.gz QNITWHLGUAZIOT-WFASDCNBSA-N 1 0 264.800 3.009 40 0 CGABRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccco1 ZINC000028317140 368885009 /nfs/dbraw/zinc/88/50/09/368885009.db2.gz KZNUZUHUYYRITB-INIZCTEOSA-N 1 0 298.386 3.237 40 0 CGABRO CC[C@H](C)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000035818586 369005719 /nfs/dbraw/zinc/00/57/19/369005719.db2.gz XNNHSXBJDMAZPZ-HNNXBMFYSA-N 1 0 288.435 3.447 40 0 CGABRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc(Cl)cc1 ZINC000047218994 369309940 /nfs/dbraw/zinc/30/99/40/369309940.db2.gz IHNKAUUIYQVFGS-UHFFFAOYSA-N 1 0 269.772 3.161 40 0 CGABRO CC[NH+](CC)CCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000083502173 370006881 /nfs/dbraw/zinc/00/68/81/370006881.db2.gz SKGGLJISKPQODA-GFCCVEGCSA-N 1 0 258.406 3.022 40 0 CGABRO Clc1ccc(Cl)c(C[NH2+]C[C@H]2CCOC2)c1 ZINC000083697617 370008412 /nfs/dbraw/zinc/00/84/12/370008412.db2.gz NUIAZFTYFHCKHY-SECBINFHSA-N 1 0 260.164 3.120 40 0 CGABRO CCOc1c(C)cc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1C ZINC000095095415 370175143 /nfs/dbraw/zinc/17/51/43/370175143.db2.gz HHQKSSOYJCJEEV-ZDUSSCGKSA-N 1 0 287.363 3.177 40 0 CGABRO NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100658566 370281366 /nfs/dbraw/zinc/28/13/66/370281366.db2.gz GAOLYLHFFYVQNS-PHIMTYICSA-N 1 0 288.416 3.233 40 0 CGABRO c1cc([C@@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)n[nH]1 ZINC000257271031 190023949 /nfs/dbraw/zinc/02/39/49/190023949.db2.gz MWNWSLMXPVAIFZ-CYBMUJFWSA-N 1 0 280.375 3.271 40 0 CGABRO Clc1ccc(Oc2cncc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000257274838 190024945 /nfs/dbraw/zinc/02/49/45/190024945.db2.gz NMWCIZIDPNKNOP-LBPRGKRZSA-N 1 0 275.739 3.347 40 0 CGABRO c1cc([C@H]2CCC[NH2+]C2)cc(NC2CCCCC2)n1 ZINC000257313678 190031714 /nfs/dbraw/zinc/03/17/14/190031714.db2.gz UTPKMLVDJUKYGZ-AWEZNQCLSA-N 1 0 259.397 3.293 40 0 CGABRO Cc1ccc(Nc2nccc([C@H]3CC[N@@H+](C(C)C)C3)n2)nc1 ZINC000257313179 190031890 /nfs/dbraw/zinc/03/18/90/190031890.db2.gz URHQFJLYFNKIKJ-AWEZNQCLSA-N 1 0 297.406 3.121 40 0 CGABRO Cc1cc(CC2CC[NH+](Cc3cccnc3)CC2)ccn1 ZINC000257328156 190035211 /nfs/dbraw/zinc/03/52/11/190035211.db2.gz XEKPNKDCJOKSFF-UHFFFAOYSA-N 1 0 281.403 3.240 40 0 CGABRO CC[NH+](CC)CCNc1c(Cl)cc(N)cc1Cl ZINC000096524287 256731494 /nfs/dbraw/zinc/73/14/94/256731494.db2.gz CEDJTRWCVIENNJ-UHFFFAOYSA-N 1 0 276.211 3.329 40 0 CGABRO O[C@@H]1CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C1 ZINC000005084609 285326106 /nfs/dbraw/zinc/32/61/06/285326106.db2.gz YZHQOLWNBFSHQZ-NPSOMJIGSA-N 1 0 296.414 3.248 40 0 CGABRO c1cc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)ccn1 ZINC000096241735 285428695 /nfs/dbraw/zinc/42/86/95/285428695.db2.gz WRPOLRPOHUZVFH-UHFFFAOYSA-N 1 0 264.372 3.316 40 0 CGABRO CC[C@@](CO)(c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000065734691 392149959 /nfs/dbraw/zinc/14/99/59/392149959.db2.gz WVCKSRCCDDRZCQ-GOSISDBHSA-N 1 0 269.388 3.416 40 0 in-vitro CGABRO C[NH2+][C@H](c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207659 392196093 /nfs/dbraw/zinc/19/60/93/392196093.db2.gz JARAEFPSWXWDOV-LSDHHAIUSA-N 1 0 290.407 3.347 40 0 CGABRO O=c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)c[nH]1 ZINC000072212245 392197107 /nfs/dbraw/zinc/19/71/07/392197107.db2.gz LAJNOAGYWCATFQ-OAHLLOKOSA-N 1 0 254.333 3.124 40 0 CGABRO Nc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072212442 392197812 /nfs/dbraw/zinc/19/78/12/392197812.db2.gz QYOUQLLGDDWKAA-MRXNPFEDSA-N 1 0 267.376 3.391 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H]1c1nccnc1-c1ccc(CO)cc1 ZINC000072358406 392206324 /nfs/dbraw/zinc/20/63/24/392206324.db2.gz VICIGOVBEUBGOI-MRXNPFEDSA-N 1 0 297.402 3.181 40 0 CGABRO [NH3+]Cc1coc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000095635384 392243987 /nfs/dbraw/zinc/24/39/87/392243987.db2.gz NJPXTQJYUAGDHA-UHFFFAOYSA-N 1 0 280.327 3.379 40 0 CGABRO CC(C)[N@H+](CCO)Cc1cc(Cl)ccc1Cl ZINC000079420130 392220625 /nfs/dbraw/zinc/22/06/25/392220625.db2.gz PZEWLEBCULMWNB-UHFFFAOYSA-N 1 0 262.180 3.196 40 0 CGABRO Cc1ccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@@H]4[NH2+]2)cc1 ZINC000019212295 292030083 /nfs/dbraw/zinc/03/00/83/292030083.db2.gz OFTSAKPDDRZLLC-HIFRSBDPSA-N 1 0 290.370 3.054 40 0 CGABRO CCOC(=O)C[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000072210307 397640468 /nfs/dbraw/zinc/64/04/68/397640468.db2.gz YUDXVGNKPVNGOS-MRXNPFEDSA-N 1 0 291.391 3.175 40 0 CGABRO CCn1c(C)[n+](CCOC)c2cc(Cl)c(Cl)cc21 ZINC000004904773 170039191 /nfs/dbraw/zinc/03/91/91/170039191.db2.gz DEULFSDKFLQMPV-UHFFFAOYSA-N 1 0 288.198 3.210 40 0 CGABRO Clc1ccc(C[NH2+]CCCSc2ncccn2)cc1 ZINC000004983998 170049113 /nfs/dbraw/zinc/04/91/13/170049113.db2.gz ZTJLWOWMVVLWSQ-UHFFFAOYSA-N 1 0 293.823 3.402 40 0 CGABRO C[C@@H]1Cc2cc(C(=O)CC[NH+]3CCCCCC3)ccc2O1 ZINC000005530595 170109552 /nfs/dbraw/zinc/10/95/52/170109552.db2.gz BWMLSSGLIVWADJ-CQSZACIVSA-N 1 0 287.403 3.459 40 0 CGABRO CC[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000006355963 170195095 /nfs/dbraw/zinc/19/50/95/170195095.db2.gz RNHFVWMMSZZINT-SZMVWBNQSA-N 1 0 291.435 3.247 40 0 CGABRO CC[C@@H](C)[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000020085652 170987380 /nfs/dbraw/zinc/98/73/80/170987380.db2.gz AXBMHYBPDIGFFX-GFCCVEGCSA-N 1 0 251.370 3.371 40 0 CGABRO CC1CCN([C@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000038809086 174156232 /nfs/dbraw/zinc/15/62/32/174156232.db2.gz NTEWTZJJAKZOHV-CQSZACIVSA-N 1 0 252.789 3.072 40 0 CGABRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038859247 174158274 /nfs/dbraw/zinc/15/82/74/174158274.db2.gz XTPOZRGMFGQZBX-DOTOQJQBSA-N 1 0 288.435 3.203 40 0 CGABRO C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000072203615 176341568 /nfs/dbraw/zinc/34/15/68/176341568.db2.gz YNQUKWKYHCBZSO-LBPRGKRZSA-N 1 0 273.207 3.177 40 0 CGABRO OCC1C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C1 ZINC000072232667 176344148 /nfs/dbraw/zinc/34/41/48/176344148.db2.gz OFWYWXACEZCAMH-QZTJIDSGSA-N 1 0 267.372 3.461 40 0 CGABRO COc1ccccc1-c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072348386 176373007 /nfs/dbraw/zinc/37/30/07/176373007.db2.gz RLTADPXQOXMLAZ-ZDUSSCGKSA-N 1 0 268.360 3.224 40 0 CGABRO COc1ccccc1Cc1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072356426 176375836 /nfs/dbraw/zinc/37/58/36/176375836.db2.gz ABQIQEWHQLDKEX-OAHLLOKOSA-N 1 0 282.387 3.148 40 0 CGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C)C2)cc1 ZINC000072384978 176389053 /nfs/dbraw/zinc/38/90/53/176389053.db2.gz LPLKCXAXGOXJEN-OAHLLOKOSA-N 1 0 285.391 3.106 40 0 CGABRO Cc1cncc(C2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000072385392 176389921 /nfs/dbraw/zinc/38/99/21/176389921.db2.gz YZDJTMKIXXDRIF-UHFFFAOYSA-N 1 0 297.402 3.043 40 0 CGABRO Fc1cc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)ccc1Cl ZINC000072386223 176391498 /nfs/dbraw/zinc/39/14/98/176391498.db2.gz GAUMFFRGEWBDAV-LLVKDONJSA-N 1 0 279.746 3.192 40 0 CGABRO CC[C@@H]([NH3+])c1cnc(N2CCc3ccccc32)cc1C ZINC000072223952 273721794 /nfs/dbraw/zinc/72/17/94/273721794.db2.gz FTVIQNUGSDEGRS-OAHLLOKOSA-N 1 0 267.376 3.494 40 0 CGABRO CCCc1cccc2cc3c(nc21)O[C@@H](C)C[NH2+]C3 ZINC000072392281 276056098 /nfs/dbraw/zinc/05/60/98/276056098.db2.gz AEQKKFCERZJCDC-NSHDSACASA-N 1 0 256.349 3.058 40 0 CGABRO CNc1cc(N2Cc3ccccc3CC2(C)C)nc(C)[nH+]1 ZINC000329031788 277043253 /nfs/dbraw/zinc/04/32/53/277043253.db2.gz QLMNMGWBHOBGCI-UHFFFAOYSA-N 1 0 282.391 3.168 40 0 CGABRO C[NH2+][C@H]1CC(C)(C)Oc2c(Br)cccc21 ZINC000081217838 277299078 /nfs/dbraw/zinc/29/90/78/277299078.db2.gz BPXKTMUKGNLZTM-JTQLQIEISA-N 1 0 270.170 3.271 40 0 CGABRO CC(=O)N(CCC[NH+](C)C)C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C ZINC000004024746 277970762 /nfs/dbraw/zinc/97/07/62/277970762.db2.gz ZLYRCIIIWXAQLB-ZOBUZTSGSA-N 1 0 280.456 3.025 40 0 CGABRO CC(C)(C)C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100809757 278327497 /nfs/dbraw/zinc/32/74/97/278327497.db2.gz WSAAYUXDMFKXJK-BETUJISGSA-N 1 0 284.444 3.458 40 0 CGABRO Cc1cc2sc(-c3cc[n+](C)cc3)nc2c(C)c1 ZINC000226773260 278765809 /nfs/dbraw/zinc/76/58/09/278765809.db2.gz YSXBBJWKJIVRFA-UHFFFAOYSA-N 1 0 255.366 3.405 40 0 CGABRO CC(C)(C)c1ccc(N2CC[NH2+][C@H]3CCC[C@H]32)cc1 ZINC000218849242 333137317 /nfs/dbraw/zinc/13/73/17/333137317.db2.gz ZGVQOVYPQWCIRI-JKSUJKDBSA-N 1 0 258.409 3.315 40 0 CGABRO FC(F)(F)c1cccc(N2CC[NH2+][C@H]3CCC[C@@H]32)c1 ZINC000225716724 333182155 /nfs/dbraw/zinc/18/21/55/333182155.db2.gz GKJNKERRBRVGGS-STQMWFEESA-N 1 0 270.298 3.036 40 0 CGABRO FC(F)(F)c1ccc(N2CC[NH2+][C@H]3CCC[C@@H]32)cc1 ZINC000225717680 333182260 /nfs/dbraw/zinc/18/22/60/333182260.db2.gz ONTIEQYSBBOIJQ-STQMWFEESA-N 1 0 270.298 3.036 40 0 CGABRO C[C@@H](CNC(=O)Nc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000013964808 640971439 /nfs/dbraw/zinc/97/14/39/640971439.db2.gz WGAWRRYLCXCIMC-LBPRGKRZSA-N 1 0 295.814 3.336 40 0 CGABRO CCOP(=O)(OCC)Oc1ccc2ccc[n+](C)c2c1 ZINC000038780931 344956231 /nfs/dbraw/zinc/95/62/31/344956231.db2.gz CVKRJKJYOIKAHS-UHFFFAOYSA-N 1 0 296.283 3.224 40 0 CGABRO CN1CCC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000040671678 344964857 /nfs/dbraw/zinc/96/48/57/344964857.db2.gz NCYDEWLHSTYCSD-NSHDSACASA-N 1 0 273.207 3.177 40 0 CGABRO NC(=O)CCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000585656285 346725957 /nfs/dbraw/zinc/72/59/57/346725957.db2.gz OEOFHYIWCSYXAP-UHFFFAOYSA-N 1 0 296.414 3.344 40 0 CGABRO COc1ccc(N[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC000218862741 376191553 /nfs/dbraw/zinc/19/15/53/376191553.db2.gz JLWDTMYSJVRIAT-NWDGAFQWSA-N 1 0 254.761 3.030 40 0 CGABRO CC(C)[NH2+]C[C@@H](O)COc1ccccc1C1CCCCC1 ZINC000000000285 368269470 /nfs/dbraw/zinc/26/94/70/368269470.db2.gz ABXHHEZNIJUQFM-MRXNPFEDSA-N 1 0 291.435 3.472 40 0 in-man CGABRO CCCn1c(C)[nH+]c2cc(C(F)(F)F)cc(N)c21 ZINC000001563264 368417502 /nfs/dbraw/zinc/41/75/02/368417502.db2.gz VMLLGHJSJDIVJW-UHFFFAOYSA-N 1 0 257.259 3.356 40 0 CGABRO CCCCCc1cc[n+](C[C@@H](O)c2ccccc2)cc1 ZINC000001666306 368427965 /nfs/dbraw/zinc/42/79/65/368427965.db2.gz RURILSADEAUIPB-GOSISDBHSA-N 1 0 270.396 3.440 40 0 CGABRO C[NH+](C)C[C@@H](C(=O)Cc1ccccc1)c1ccccc1 ZINC000001671201 368428595 /nfs/dbraw/zinc/42/85/95/368428595.db2.gz NIISBOCIVFUFDB-QGZVFWFLSA-N 1 0 267.372 3.144 40 0 CGABRO C[NH2+]CCO[C@@H](c1ccccc1)c1ccccc1C ZINC000001704297 368432812 /nfs/dbraw/zinc/43/28/12/368432812.db2.gz PNYKGCPSFKLFKA-KRWDZBQOSA-N 1 0 255.361 3.320 40 0 world CGABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000003864472 368520974 /nfs/dbraw/zinc/52/09/74/368520974.db2.gz URMJPEDTGXJUMD-LVQVYYBASA-N 1 0 285.472 3.213 40 0 CGABRO Cc1cccc2cc(C[NH2+]Cc3ccccc3F)c(=O)[nH]c12 ZINC000013998403 368672885 /nfs/dbraw/zinc/67/28/85/368672885.db2.gz IUGUEZNJOLIEOM-UHFFFAOYSA-N 1 0 296.345 3.265 40 0 CGABRO Cc1ccc(NC(=S)NCCC[NH+]2CCCC2)c(C)c1 ZINC000018168484 368740081 /nfs/dbraw/zinc/74/00/81/368740081.db2.gz WAEXPAAMBUTFMS-UHFFFAOYSA-N 1 0 291.464 3.076 40 0 CGABRO CCN(CC)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000019806660 368767711 /nfs/dbraw/zinc/76/77/11/368767711.db2.gz SJZYAVUOKJBZJA-NSHDSACASA-N 1 0 261.196 3.335 40 0 CGABRO CC[C@@H](C)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000019881863 368776194 /nfs/dbraw/zinc/77/61/94/368776194.db2.gz ARIWKJUTOKFGKU-MRVPVSSYSA-N 1 0 288.185 3.051 40 0 CGABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1Cl ZINC000019575152 368757086 /nfs/dbraw/zinc/75/70/86/368757086.db2.gz NRHQMUAHRORING-TZMCWYRMSA-N 1 0 264.800 3.009 40 0 CGABRO CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CCCC1 ZINC000019931512 368786790 /nfs/dbraw/zinc/78/67/90/368786790.db2.gz JCUMEHIPGQRKJX-UHFFFAOYSA-N 1 0 286.419 3.297 40 0 CGABRO O[C@@H](C[NH2+]C1CCCCC1)COc1ccccc1Cl ZINC000026919757 368866908 /nfs/dbraw/zinc/86/69/08/368866908.db2.gz TZUHTCZKDITUEF-ZDUSSCGKSA-N 1 0 283.799 3.002 40 0 CGABRO CCCCOc1ccc(C[NH2+]C(C)C)cc1OC ZINC000032107256 368925125 /nfs/dbraw/zinc/92/51/25/368925125.db2.gz IOZQKDQVQOEZSO-UHFFFAOYSA-N 1 0 251.370 3.372 40 0 CGABRO Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000035681982 369004144 /nfs/dbraw/zinc/00/41/44/369004144.db2.gz BDARSKFJUUGBFY-VBQJREDUSA-N 1 0 291.435 3.021 40 0 CGABRO Cc1cc(-c2ccc(C[NH3+])o2)ccc1Br ZINC000036666942 369024791 /nfs/dbraw/zinc/02/47/91/369024791.db2.gz FLCDPVMIBMYYQF-UHFFFAOYSA-N 1 0 266.138 3.476 40 0 CGABRO Cc1nnc([C@H]2CC[N@H+](Cc3cc4ccccc4o3)C2)o1 ZINC000049169260 369391073 /nfs/dbraw/zinc/39/10/73/369391073.db2.gz JXWUEJZBDGIHRD-ZDUSSCGKSA-N 1 0 283.331 3.114 40 0 biogenic,in-vitro CGABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000072793313 369838037 /nfs/dbraw/zinc/83/80/37/369838037.db2.gz CDYVBIBBAFSZAZ-SECBINFHSA-N 1 0 287.190 3.274 40 0 CGABRO OC[C@H]1C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C1 ZINC000255991978 190000181 /nfs/dbraw/zinc/00/01/81/190000181.db2.gz OFWYWXACEZCAMH-GBEXYDAJSA-N 1 0 267.372 3.461 40 0 CGABRO c1nn(C2CCCC2)cc1C[NH2+]Cc1ccccc1 ZINC000256053650 190004943 /nfs/dbraw/zinc/00/49/43/190004943.db2.gz SGVDIHWBVZNFRY-UHFFFAOYSA-N 1 0 255.365 3.288 40 0 CGABRO CC(C)(C)OC(=O)n1cc(C2([NH3+])CC2)c2ccccc21 ZINC000498051301 375618397 /nfs/dbraw/zinc/61/83/97/375618397.db2.gz NZCOWXGPOIKZMO-UHFFFAOYSA-N 1 0 272.348 3.372 40 0 CGABRO c1cc2ccc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2cn1 ZINC000257197881 190010153 /nfs/dbraw/zinc/01/01/53/190010153.db2.gz MCZMYCMSMTXOIP-FUCXHRTASA-N 1 0 252.361 3.308 40 0 CGABRO CNc1cncc([C@H]2CCC[N@@H+]2Cc2sccc2C)n1 ZINC000257229501 190016030 /nfs/dbraw/zinc/01/60/30/190016030.db2.gz FYIMGRMGQOCEDD-CYBMUJFWSA-N 1 0 288.420 3.225 40 0 CGABRO Cc1cccc(C[N@@H+]2CC[C@H](c3nccc(C)n3)C2)c1 ZINC000257222102 190014998 /nfs/dbraw/zinc/01/49/98/190014998.db2.gz DRXMYHMKMRODHQ-INIZCTEOSA-N 1 0 267.376 3.083 40 0 CGABRO CC1(c2nccs2)CC[NH+](Cc2cncs2)CC1 ZINC000257243010 190018939 /nfs/dbraw/zinc/01/89/39/190018939.db2.gz IFEDSNVZYFMKEV-UHFFFAOYSA-N 1 0 279.434 3.153 40 0 CGABRO Cc1cc(-c2cc(C[C@@H]3CCC[N@@H+](C(C)C)C3)ccn2)n[nH]1 ZINC000257266079 190022855 /nfs/dbraw/zinc/02/28/55/190022855.db2.gz MBLRHIJDIKNVEP-INIZCTEOSA-N 1 0 298.434 3.443 40 0 CGABRO Cc1cc(-c2cc([C@H]3CCC[N@@H+](C(C)C)C3)nc(C)n2)n[nH]1 ZINC000257296702 190028180 /nfs/dbraw/zinc/02/81/80/190028180.db2.gz REAJWFCMTGZJOH-AWEZNQCLSA-N 1 0 299.422 3.071 40 0 CGABRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000257302195 190030371 /nfs/dbraw/zinc/03/03/71/190030371.db2.gz SBXBNKUCTGUTIF-HNNXBMFYSA-N 1 0 280.375 3.189 40 0 CGABRO Cc1cc(-c2ccnn2C(C)C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000257318087 190032393 /nfs/dbraw/zinc/03/23/93/190032393.db2.gz VMLNPFPMNDVMBA-CQSZACIVSA-N 1 0 299.422 3.039 40 0 CGABRO Cc1c(C[N@@H+]2CCC[C@@H]2CCc2ccnc(C)c2)cnn1C ZINC000257331244 190035386 /nfs/dbraw/zinc/03/53/86/190035386.db2.gz XRYPGPNFIASCJR-GOSISDBHSA-N 1 0 298.434 3.029 40 0 CGABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)c[nH]3)C2)c1 ZINC000257331531 190035823 /nfs/dbraw/zinc/03/58/23/190035823.db2.gz XTGSHSGLMCFGEM-OAHLLOKOSA-N 1 0 285.391 3.106 40 0 CGABRO CC(C)[N@@H+]1CC[C@H](Cc2cccc(-c3nccs3)n2)C1 ZINC000257338986 190037173 /nfs/dbraw/zinc/03/71/73/190037173.db2.gz YZSILVDEQJKNOR-CYBMUJFWSA-N 1 0 287.432 3.478 40 0 CGABRO CCCc1ccc(C[NH2+]Cc2ccc(OC)cc2)n1C ZINC000226020799 376339423 /nfs/dbraw/zinc/33/94/23/376339423.db2.gz RJQXQZCCXIHFLT-UHFFFAOYSA-N 1 0 272.392 3.276 40 0 CGABRO CC[C@@H](C)Oc1ccccc1[C@@H](C)[NH2+]CCOC ZINC000225160994 376296292 /nfs/dbraw/zinc/29/62/92/376296292.db2.gz CTFSDGXSKPYMPS-CHWSQXEVSA-N 1 0 251.370 3.161 40 0 CGABRO COCCC[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000225161272 376296943 /nfs/dbraw/zinc/29/69/43/376296943.db2.gz YZPFOWBHFKOCSL-ZDUSSCGKSA-N 1 0 251.370 3.161 40 0 CGABRO COCC[NH2+][C@H](C)c1ccccc1OC1CCCC1 ZINC000225160836 376297148 /nfs/dbraw/zinc/29/71/48/376297148.db2.gz YKBOLQZIIJKALA-CYBMUJFWSA-N 1 0 263.381 3.305 40 0 CGABRO C[NH+]1CCN(c2ccc3c(Cl)csc3c2)CC1 ZINC000228943386 376456283 /nfs/dbraw/zinc/45/62/83/376456283.db2.gz VDVNGHZLGIFLCF-UHFFFAOYSA-N 1 0 266.797 3.307 40 0 CGABRO CCOC(=O)c1[nH]c2ccccc2c1[C@H]([NH3+])c1ccccc1 ZINC000004202851 391919277 /nfs/dbraw/zinc/91/92/77/391919277.db2.gz WZNIJQBJCYBLMH-MRXNPFEDSA-N 1 0 294.354 3.393 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1Br ZINC000072211610 392197198 /nfs/dbraw/zinc/19/71/98/392197198.db2.gz IKUUAUAOTITBPI-LLVKDONJSA-N 1 0 269.186 3.389 40 0 CGABRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cnc1N ZINC000072218429 392199877 /nfs/dbraw/zinc/19/98/77/392199877.db2.gz BGPKIXQFKWCCHE-INIZCTEOSA-N 1 0 267.376 3.309 40 0 CGABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1N1CCCC1 ZINC000072222445 392201907 /nfs/dbraw/zinc/20/19/07/392201907.db2.gz QDEZLDZOGFYIAL-INIZCTEOSA-N 1 0 267.376 3.038 40 0 CGABRO CC[C@H]([NH3+])c1cnc(N(C)Cc2ccccc2)c(C)c1 ZINC000072222364 392202011 /nfs/dbraw/zinc/20/20/11/392202011.db2.gz BPQVWWFVDVOBQX-INIZCTEOSA-N 1 0 269.392 3.436 40 0 CGABRO Cc1nc(N(C)Cc2ccccc2)ccc1[C@H](C)[NH3+] ZINC000072224444 392204744 /nfs/dbraw/zinc/20/47/44/392204744.db2.gz UNIMXBPZUCKKAI-LBPRGKRZSA-N 1 0 255.365 3.046 40 0 CGABRO c1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]2[NH2+]C[C@@H]2CCOC2)cc1 ZINC000019373721 285491919 /nfs/dbraw/zinc/49/19/19/285491919.db2.gz MDOWAAUMGYZGRS-KTQBOKQISA-N 1 0 271.404 3.195 40 0 CGABRO CCOc1ccc(/C=C/c2cccc[n+]2C)cc1OC ZINC000005002304 170053470 /nfs/dbraw/zinc/05/34/70/170053470.db2.gz LMCXCQSEZAUMHQ-CSKARUKUSA-N 1 0 270.352 3.089 40 0 CGABRO CC1([NH2+][C@H](Cc2ccccc2)c2ccccc2)COCOC1 ZINC000005963684 170163567 /nfs/dbraw/zinc/16/35/67/170163567.db2.gz KRXFORPABBFXIK-GOSISDBHSA-N 1 0 297.398 3.323 40 0 CGABRO C[N@@H+]1CCc2ccc(O)cc2[C@@H](c2ccccc2)C1 ZINC000005966959 170163724 /nfs/dbraw/zinc/16/37/24/170163724.db2.gz DNNMNDDMPUSDQC-QGZVFWFLSA-N 1 0 253.345 3.012 40 0 CGABRO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000006008630 170168030 /nfs/dbraw/zinc/16/80/30/170168030.db2.gz XQJJCWQPGBNOEV-KRWDZBQOSA-N 1 0 291.435 3.308 40 0 CGABRO Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000006008939 170168073 /nfs/dbraw/zinc/16/80/73/170168073.db2.gz ZEOWJWWXFFKASZ-QGZVFWFLSA-N 1 0 291.435 3.308 40 0 CGABRO [NH2+]=C1N=C(c2cc(Cl)ccc2O)C[C@H](c2ccccc2)N1 ZINC000008655574 170344238 /nfs/dbraw/zinc/34/42/38/170344238.db2.gz MTSFRTBCIQTEBZ-CYBMUJFWSA-N 1 0 299.761 3.294 40 0 CGABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC(C)(C)C)cc2)C1 ZINC000020481530 171222304 /nfs/dbraw/zinc/22/23/04/171222304.db2.gz DKQLZGYJZILSTR-AWEZNQCLSA-N 1 0 288.435 3.447 40 0 CGABRO CC[C@@](CO)([NH2+]Cc1ccccc1)c1ccccc1 ZINC000038110851 174122851 /nfs/dbraw/zinc/12/28/51/174122851.db2.gz YUWOWSIPHMTMCC-KRWDZBQOSA-N 1 0 255.361 3.074 40 0 in-vitro CGABRO CCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OC(C)C ZINC000040728689 174387904 /nfs/dbraw/zinc/38/79/04/174387904.db2.gz ULGPCQQZYRLKBA-OAHLLOKOSA-N 1 0 293.407 3.141 40 0 CGABRO Cc1cccc(Cc2cccc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000072356412 176375690 /nfs/dbraw/zinc/37/56/90/176375690.db2.gz QSJFLQUXVLTWCD-INIZCTEOSA-N 1 0 266.388 3.448 40 0 CGABRO Cc1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)ccn1 ZINC000072367932 176382259 /nfs/dbraw/zinc/38/22/59/176382259.db2.gz XKZLGHCNPWKEQT-KRWDZBQOSA-N 1 0 267.376 3.165 40 0 CGABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@@H+]2C)n1 ZINC000072379098 176385873 /nfs/dbraw/zinc/38/58/73/176385873.db2.gz ADGHBWSYUQICKE-CQSZACIVSA-N 1 0 270.380 3.157 40 0 CGABRO COc1cccc(-c2cc([C@@H]3CCC[NH2+]3)ccn2)c1 ZINC000072386791 176392216 /nfs/dbraw/zinc/39/22/16/176392216.db2.gz KAVASJJOMXZCQB-HNNXBMFYSA-N 1 0 254.333 3.182 40 0 CGABRO Cc1cnc2[nH]c(C3CC3)c(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000072395253 176394385 /nfs/dbraw/zinc/39/43/85/176394385.db2.gz YELIVSFTZAXCKE-CHWSQXEVSA-N 1 0 299.418 3.358 40 0 CGABRO C[C@@H]1C[NH+](Cc2c3cccnc3[nH]c2C2CC2)C[C@@H](C)O1 ZINC000072398467 176396332 /nfs/dbraw/zinc/39/63/32/176396332.db2.gz ZHRCOQSHJCKLMB-VXGBXAGGSA-N 1 0 285.391 3.050 40 0 CGABRO CCC[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007262388 261378279 /nfs/dbraw/zinc/37/82/79/261378279.db2.gz DQKLGXMNBNRPTJ-UHFFFAOYSA-N 1 0 273.332 3.233 40 0 CGABRO Fc1ccc2c(c1)C1(C[C@H]2OCC2CC2)CC[NH2+]CC1 ZINC000096241691 265346141 /nfs/dbraw/zinc/34/61/41/265346141.db2.gz AYGZZKRUIAMILE-MRXNPFEDSA-N 1 0 275.367 3.318 40 0 CGABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000003864471 280414761 /nfs/dbraw/zinc/41/47/61/280414761.db2.gz URMJPEDTGXJUMD-ZJIFWQFVSA-N 1 0 285.472 3.213 40 0 CGABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1Cl ZINC000019575154 288313870 /nfs/dbraw/zinc/31/38/70/288313870.db2.gz NRHQMUAHRORING-OCCSQVGLSA-N 1 0 264.800 3.009 40 0 CGABRO C[NH2+]C[C@@H](OC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000062711750 522036414 /nfs/dbraw/zinc/03/64/14/522036414.db2.gz CBDLRXTVEDYUMN-GFCCVEGCSA-N 1 0 261.287 3.391 40 0 CGABRO Cc1cc(N2CCc3ccccc3C2)nc(NC(C)C)[nH+]1 ZINC000243761552 525095335 /nfs/dbraw/zinc/09/53/35/525095335.db2.gz QCBXBPKQUOCLDN-UHFFFAOYSA-N 1 0 282.391 3.168 40 0 CGABRO C[C@@H](CNC(=O)Nc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000013964804 640970815 /nfs/dbraw/zinc/97/08/15/640970815.db2.gz YJRLCZXKKPWXBA-LBPRGKRZSA-N 1 0 295.814 3.336 40 0 CGABRO c1ccc2c(CN3CC[C@@H]4[NH2+]CCCCC[C@H]43)ccnc2c1 ZINC000019712175 344890749 /nfs/dbraw/zinc/89/07/49/344890749.db2.gz UGEPAGORHOYCLF-RBUKOAKNSA-N 1 0 295.430 3.341 40 0 CGABRO CC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067400372 345320825 /nfs/dbraw/zinc/32/08/25/345320825.db2.gz MDXUVFCFAJOJIQ-CQSZACIVSA-N 1 0 253.773 3.105 40 0 CGABRO [NH3+]Cc1ccc(C(F)(F)F)nc1-c1ccccc1 ZINC000147005175 346124790 /nfs/dbraw/zinc/12/47/90/346124790.db2.gz KNACKYIXEYDVQD-UHFFFAOYSA-N 1 0 252.239 3.226 40 0 CGABRO Clc1ccc2ncc(-c3cccc([C@@H]4CCC[NH2+]4)n3)n2c1 ZINC000585262883 346725715 /nfs/dbraw/zinc/72/57/15/346725715.db2.gz BVYPFXKYOYMTTM-LBPRGKRZSA-N 1 0 298.777 3.474 40 0 CGABRO C[C@@H](CC(O)(c1cccs1)c1cccs1)[NH+](C)C ZINC000002042886 368444783 /nfs/dbraw/zinc/44/47/83/368444783.db2.gz KUYLKQQSZDJZSA-NSHDSACASA-N 1 0 281.446 3.386 40 0 CGABRO C[C@@H](c1ccccc1)[C@H]1OC[C@H](C[NH+]2CCCCC2)O1 ZINC000004012231 368526065 /nfs/dbraw/zinc/52/60/65/368526065.db2.gz ODYIWFSYHAIAAO-XIRDDKMYSA-N 1 0 275.392 3.018 40 0 CGABRO COc1cc2c(cc1OC)[C@H](Cc1ccccc1)[NH2+]CC2 ZINC000004262569 368539849 /nfs/dbraw/zinc/53/98/49/368539849.db2.gz HWNSTGWDEVWFNH-INIZCTEOSA-N 1 0 283.371 3.133 40 0 biogenic,in-vitro CGABRO C[C@H]1C[NH+]=C(COc2ccccc2Cc2ccccc2)N1 ZINC000006495176 368567433 /nfs/dbraw/zinc/56/74/33/368567433.db2.gz KUCRAFYSUFMDKE-AWEZNQCLSA-N 1 0 280.371 3.046 40 0 CGABRO Cc1cc(-c2ccccc2)nc2[nH]c3ccccc3[n+]21 ZINC000013470424 368654804 /nfs/dbraw/zinc/65/48/04/368654804.db2.gz ZEFUWSSBHKDYKT-UHFFFAOYSA-O 1 0 260.320 3.277 40 0 CGABRO CCOc1cc(C=O)ccc1OCC[NH+]1CCCCCC1 ZINC000015014301 368687853 /nfs/dbraw/zinc/68/78/53/368687853.db2.gz RUVJGEMKUKYQRO-UHFFFAOYSA-N 1 0 291.391 3.153 40 0 CGABRO C[C@H](CCc1ccccc1)[NH2+]CCC(=O)OC(C)(C)C ZINC000047218986 369310554 /nfs/dbraw/zinc/31/05/54/369310554.db2.gz MAHVBFCAXDTMPO-CQSZACIVSA-N 1 0 277.408 3.329 40 0 CGABRO CC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCCO2)cc1OC ZINC000066115669 369688223 /nfs/dbraw/zinc/68/82/23/369688223.db2.gz DMZRMQMRLZZUJU-DZGCQCFKSA-N 1 0 293.407 3.141 40 0 CGABRO c1cn(-c2nccnc2[C@@H]2CCC[N@@H+]2C2CCCCC2)cn1 ZINC000072359233 369816669 /nfs/dbraw/zinc/81/66/69/369816669.db2.gz USXZTTZJBNDFKN-HNNXBMFYSA-N 1 0 297.406 3.132 40 0 CGABRO Cc1sc2c([C@H]3CCC[N@@H+](C)C3)nc(C)n2c1C ZINC000072367698 369817302 /nfs/dbraw/zinc/81/73/02/369817302.db2.gz PANKDPVBNNGTQY-LBPRGKRZSA-N 1 0 263.410 3.130 40 0 CGABRO c1csc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c1 ZINC000096255069 370209209 /nfs/dbraw/zinc/20/92/09/370209209.db2.gz WEDLXYVAXTVFLL-UHFFFAOYSA-N 1 0 285.416 3.016 40 0 CGABRO CCOC(C[N@H+](C)Cc1ccc(Cl)cc1)OCC ZINC000095470427 370199391 /nfs/dbraw/zinc/19/93/91/370199391.db2.gz RYTBAYCMERJRNN-UHFFFAOYSA-N 1 0 271.788 3.171 40 0 CGABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2CCCC2)CC1 ZINC000100809747 370283621 /nfs/dbraw/zinc/28/36/21/370283621.db2.gz BWYYVYIBDTZGRZ-OKILXGFUSA-N 1 0 282.428 3.355 40 0 CGABRO c1ccc2c(c1)N[C@@H]1[C@H]2CC[N@@H+]2C[C@H]3CCCC[C@H]3[C@@H]12 ZINC000102805625 370311868 /nfs/dbraw/zinc/31/18/68/370311868.db2.gz LKHAUIVLOLWBIF-OGSMBTDCSA-N 1 0 268.404 3.459 40 0 CGABRO CC1CC[NH+](Cc2ccc(O)c(Br)c2)CC1 ZINC000132438232 371175259 /nfs/dbraw/zinc/17/52/59/371175259.db2.gz ZRECOJABHYELKV-UHFFFAOYSA-N 1 0 284.197 3.387 40 0 CGABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291023048 372096226 /nfs/dbraw/zinc/09/62/26/372096226.db2.gz AODZXFUBOLKFRH-BMQCOBNYSA-N 1 0 281.346 3.039 40 0 CGABRO [NH3+]CC[C@H](O)c1cccc(OCC2CCCCC2)c1 ZINC000059226425 541883564 /nfs/dbraw/zinc/88/35/64/541883564.db2.gz WJIGGYYSZBWCGC-INIZCTEOSA-N 1 0 263.381 3.028 40 0 in-vitro CGABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@]1(CC[NH2+]1)CC2 ZINC000306145563 374128233 /nfs/dbraw/zinc/12/82/33/374128233.db2.gz IPJYHMVFGPGMBW-INIZCTEOSA-N 1 0 274.364 3.168 40 0 CGABRO CCCn1cc(C[NH2+]Cc2ccc(OCC)cc2)c(C)n1 ZINC000256051151 190003601 /nfs/dbraw/zinc/00/36/01/190003601.db2.gz HZADFLDLIAEUID-UHFFFAOYSA-N 1 0 287.407 3.290 40 0 CGABRO Cc1ccc(Nc2nccc([C@H]3CC[C@H](C[NH3+])CC3)n2)nc1 ZINC000257211193 190012064 /nfs/dbraw/zinc/01/20/64/190012064.db2.gz BXVUISWPEIFTLU-HDJSIYSDSA-N 1 0 297.406 3.156 40 0 CGABRO Cc1ccccc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257259114 190021577 /nfs/dbraw/zinc/02/15/77/190021577.db2.gz KWWVGCZXYHOBEQ-INIZCTEOSA-N 1 0 267.376 3.165 40 0 CGABRO c1cnc([C@H]2CCC[N@H+](C3CCCCCC3)C2)cn1 ZINC000257288493 190027032 /nfs/dbraw/zinc/02/70/32/190027032.db2.gz PUKBJZLOJFWNSR-AWEZNQCLSA-N 1 0 259.397 3.379 40 0 CGABRO Cc1cncc(C2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000257294268 190028446 /nfs/dbraw/zinc/02/84/46/190028446.db2.gz QTIDHOWASTYXSL-UHFFFAOYSA-N 1 0 273.405 3.226 40 0 CGABRO c1cc([C@@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)n[nH]1 ZINC000257293838 190028688 /nfs/dbraw/zinc/02/86/88/190028688.db2.gz QRKCNAAFWTUAGZ-OAHLLOKOSA-N 1 0 280.375 3.271 40 0 CGABRO C[NH+]1CCC(c2ccnc(Nc3ccccn3)c2)CC1 ZINC000257309552 190031282 /nfs/dbraw/zinc/03/12/82/190031282.db2.gz UBJOPVRBJLHHCT-UHFFFAOYSA-N 1 0 268.364 3.029 40 0 CGABRO CC[NH2+]Cc1c(C)n(CC)c2ccc(OCC)cc21 ZINC000223762365 376262994 /nfs/dbraw/zinc/26/29/94/376262994.db2.gz JASXRBWBRPLRCU-UHFFFAOYSA-N 1 0 260.381 3.478 40 0 CGABRO Cc1cc(C)c(C[C@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1C ZINC000248122116 377269862 /nfs/dbraw/zinc/26/98/62/377269862.db2.gz YGAUHRIAVQQHDT-SOLBZPMBSA-N 1 0 275.436 3.246 40 0 CGABRO Fc1ccc(CN2CCC[C@@H]2c2cnccn2)cc1F ZINC000257291563 377795369 /nfs/dbraw/zinc/79/53/69/377795369.db2.gz QHOBNLRVAGKVMF-OAHLLOKOSA-N 1 0 275.302 3.092 40 0 CGABRO CCN(CC)c1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072212835 256714410 /nfs/dbraw/zinc/71/44/10/256714410.db2.gz IKBRJOOYATXSLB-HNNXBMFYSA-N 1 0 261.413 3.473 40 0 CGABRO C[NH2+]CCCc1ccc(OCc2ccccc2)cc1 ZINC000070453325 392184130 /nfs/dbraw/zinc/18/41/30/392184130.db2.gz NKESEILLNJNNMO-UHFFFAOYSA-N 1 0 255.361 3.418 40 0 CGABRO CN(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212585 392197155 /nfs/dbraw/zinc/19/71/55/392197155.db2.gz GZXVSISFDHLQFZ-KRWDZBQOSA-N 1 0 281.403 3.485 40 0 CGABRO CCN(CC)c1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072212836 392198386 /nfs/dbraw/zinc/19/83/86/392198386.db2.gz IKBRJOOYATXSLB-OAHLLOKOSA-N 1 0 261.413 3.473 40 0 CGABRO CC(C)N(c1ccc([C@H]2CCC[N@@H+]2C)cn1)C(C)C ZINC000072212942 392198666 /nfs/dbraw/zinc/19/86/66/392198666.db2.gz JQXDYZLZPOGTLJ-OAHLLOKOSA-N 1 0 261.413 3.472 40 0 CGABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072214601 392199230 /nfs/dbraw/zinc/19/92/30/392199230.db2.gz DFXZMGTWUIZPGY-CYBMUJFWSA-N 1 0 291.395 3.268 40 0 CGABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215983 392200681 /nfs/dbraw/zinc/20/06/81/392200681.db2.gz LESZSLZMNLHQAK-OAHLLOKOSA-N 1 0 259.397 3.229 40 0 CGABRO Cc1cc(Br)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072222963 392203362 /nfs/dbraw/zinc/20/33/62/392203362.db2.gz UCCPLEFVRPMCGQ-ZDUSSCGKSA-N 1 0 277.165 3.201 40 0 CGABRO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000082323663 392222969 /nfs/dbraw/zinc/22/29/69/392222969.db2.gz QDLWDPSXJHJYSR-AWEZNQCLSA-N 1 0 260.381 3.090 40 0 CGABRO CC(C)c1ccccc1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082323567 392223122 /nfs/dbraw/zinc/22/31/22/392223122.db2.gz MQNJQZYNBLURAB-ZDUSSCGKSA-N 1 0 260.381 3.090 40 0 CGABRO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000226724993 393015389 /nfs/dbraw/zinc/01/53/89/393015389.db2.gz FMLHDYSHTHBTBB-JKSUJKDBSA-N 1 0 291.435 3.424 40 0 CGABRO CCCCn1cc(C[NH2+]Cc2cc(C)oc2C)cn1 ZINC000085395756 397641328 /nfs/dbraw/zinc/64/13/28/397641328.db2.gz INMFEIZNBIQNAU-UHFFFAOYSA-N 1 0 261.369 3.183 40 0 CGABRO C[NH+](C)CCCOC(=O)c1cc2ccccc2s1 ZINC000001701106 169745178 /nfs/dbraw/zinc/74/51/78/169745178.db2.gz VMHDUTRTYYHTIE-UHFFFAOYSA-N 1 0 263.362 3.010 40 0 CGABRO CC(C)[NH2+]CCNc1ccnc2cc(Cl)ccc21 ZINC000001709130 169747060 /nfs/dbraw/zinc/74/70/60/169747060.db2.gz VIDZFCKALNOFJU-UHFFFAOYSA-N 1 0 263.772 3.298 40 0 CGABRO C[C@@H]([N@H+](C)Cc1ccccc1)[C@](C)(O)c1ccccc1 ZINC000004705921 170002605 /nfs/dbraw/zinc/00/26/05/170002605.db2.gz WZULUTBDZYYRJF-QAPCUYQASA-N 1 0 269.388 3.415 40 0 CGABRO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2)cc1OC ZINC000006487293 170205381 /nfs/dbraw/zinc/20/53/81/170205381.db2.gz LFUSPXMHTMBJNP-AWEZNQCLSA-N 1 0 285.387 3.425 40 0 CGABRO [NH3+][C@H](CCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000006581821 170215521 /nfs/dbraw/zinc/21/55/21/170215521.db2.gz SSLGJLHRVRKICH-CQSZACIVSA-N 1 0 255.317 3.048 40 0 CGABRO [NH3+]CCc1c2cccc(Cl)c2[nH]c1-c1cccnc1 ZINC000006733577 170236619 /nfs/dbraw/zinc/23/66/19/170236619.db2.gz BYIVINHWGGKGSV-UHFFFAOYSA-N 1 0 271.751 3.385 40 0 CGABRO C[C@H]1CCCC[N@@H+]1CCCOc1cccc(C=O)c1 ZINC000009261539 170369337 /nfs/dbraw/zinc/36/93/37/170369337.db2.gz SWKWGFBTWXHGIY-AWEZNQCLSA-N 1 0 261.365 3.142 40 0 CGABRO CCCCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020454920 171208107 /nfs/dbraw/zinc/20/81/07/171208107.db2.gz SEBQSUIOPNNTCN-OAHLLOKOSA-N 1 0 288.435 3.448 40 0 CGABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccccc2)C1 ZINC000044080774 175140962 /nfs/dbraw/zinc/14/09/62/175140962.db2.gz GUOZBHWBIPIHHG-AWEZNQCLSA-N 1 0 291.464 3.095 40 0 CGABRO c1cncc(CNc2cccc(C[C@H]3CCC[NH2+]CC3)n2)c1 ZINC000072364738 176379864 /nfs/dbraw/zinc/37/98/64/176379864.db2.gz JRKPLCYIBPSUBI-HNNXBMFYSA-N 1 0 296.418 3.021 40 0 CGABRO c1ccc(CCNc2cccc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000072364920 176380007 /nfs/dbraw/zinc/38/00/07/176380007.db2.gz NCBCLZWDBAOJLK-INIZCTEOSA-N 1 0 281.403 3.203 40 0 CGABRO Cc1ccc(-c2cnc(C3CC[NH+](C)CC3)cn2)cc1 ZINC000072382916 176388139 /nfs/dbraw/zinc/38/81/39/176388139.db2.gz BXNCYGQRGVMJSF-UHFFFAOYSA-N 1 0 267.376 3.261 40 0 CGABRO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2ccnc(N)n2)c1 ZINC000072385352 176389767 /nfs/dbraw/zinc/38/97/67/176389767.db2.gz ASNRBWKNFZZJBK-INIZCTEOSA-N 1 0 282.391 3.094 40 0 CGABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000022172214 287359425 /nfs/dbraw/zinc/35/94/25/287359425.db2.gz XRGUJSFMOCLWLG-RISCZKNCSA-N 1 0 286.341 3.437 40 0 CGABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[NH2+]1 ZINC000072214780 276063114 /nfs/dbraw/zinc/06/31/14/276063114.db2.gz YFHVXYRFIFJMJA-ZDUSSCGKSA-N 1 0 291.395 3.268 40 0 CGABRO C[N@@H+]1CCC[C@H]1c1ccnc2ncc(-c3ccc(F)cc3)n21 ZINC000257318890 277082751 /nfs/dbraw/zinc/08/27/51/277082751.db2.gz VPVQTGVNLIISIW-AWEZNQCLSA-N 1 0 296.349 3.302 40 0 CGABRO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]([NH3+])c1ccccc1 ZINC000072208716 277182912 /nfs/dbraw/zinc/18/29/12/277182912.db2.gz UNGCJHBVTMJSNS-GJZGRUSLSA-N 1 0 290.407 3.476 40 0 CGABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N(C)C)nc1 ZINC000072212619 277388903 /nfs/dbraw/zinc/38/89/03/277388903.db2.gz FKYPKCQXOLSMPQ-HNNXBMFYSA-N 1 0 261.413 3.331 40 0 CGABRO COc1c(-c2ccccc2)sc2cc(C)cc[n+]21 ZINC000005541798 277779507 /nfs/dbraw/zinc/77/95/07/277779507.db2.gz OQAJSOUPUJPEKS-UHFFFAOYSA-N 1 0 256.350 3.471 40 0 CGABRO C[C@H]([NH3+])c1scc(Br)c1Br ZINC000085391243 279423248 /nfs/dbraw/zinc/42/32/48/279423248.db2.gz LFKKUBICHHRNSK-VKHMYHEASA-N 1 0 285.004 3.293 40 0 CGABRO CC1(C)Oc2ccc(Cl)cc2[C@H]2OCC3(C[NH2+]C3)C[C@@H]21 ZINC000257232731 281421226 /nfs/dbraw/zinc/42/12/26/281421226.db2.gz GMDLAXRIXXFXBE-GXTWGEPZSA-N 1 0 293.794 3.178 40 0 CGABRO CC1CC[NH+](CCCCOc2ccc(C=O)cc2)CC1 ZINC000217793412 528237765 /nfs/dbraw/zinc/23/77/65/528237765.db2.gz OUEFFXOSSHJBOU-UHFFFAOYSA-N 1 0 275.392 3.390 40 0 CGABRO COc1ccc(NC[C@@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000095951406 185039991 /nfs/dbraw/zinc/03/99/91/185039991.db2.gz PZVAUIQCXCSUKE-CQSZACIVSA-N 1 0 270.376 3.285 40 0 CGABRO CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccsc1)C2 ZINC000096039315 185069611 /nfs/dbraw/zinc/06/96/11/185069611.db2.gz LAAKIQNSRBQHRA-HZPDHXFCSA-N 1 0 295.448 3.156 40 0 CGABRO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccco3)C[C@H]12 ZINC000096058411 185079250 /nfs/dbraw/zinc/07/92/50/185079250.db2.gz ACSZNQVPNYRNTG-OALUTQOASA-N 1 0 296.414 3.127 40 0 CGABRO CO[C@H]1CC[N@H+](Cc2ccoc2)C[C@@H]1Cc1ccccc1 ZINC000096110472 185100472 /nfs/dbraw/zinc/10/04/72/185100472.db2.gz VYVTZSODRBQMKQ-ROUUACIJSA-N 1 0 285.387 3.359 40 0 CGABRO CC(C)Oc1cccc([C@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000127955913 187343253 /nfs/dbraw/zinc/34/32/53/187343253.db2.gz GJMYPHGIPZDABU-XJKSGUPXSA-N 1 0 263.381 3.303 40 0 CGABRO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092788930 345858875 /nfs/dbraw/zinc/85/88/75/345858875.db2.gz GMBYRMQRHBPQFT-LLVKDONJSA-N 1 0 279.434 3.288 40 0 CGABRO COc1cc(Cl)ccc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311722 345902690 /nfs/dbraw/zinc/90/26/90/345902690.db2.gz YCNPXXUAMPNMDI-CLYYMRHHSA-N 1 0 251.757 3.347 40 0 CGABRO C[C@H]1CCCN([C@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000108349974 345937580 /nfs/dbraw/zinc/93/75/80/345937580.db2.gz XRGUJSFMOCLWLG-SMDDNHRTSA-N 1 0 286.341 3.437 40 0 CGABRO CCCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000164191936 346182303 /nfs/dbraw/zinc/18/23/03/346182303.db2.gz PWSGJLHAWRMJCW-ARFHVFGLSA-N 1 0 297.826 3.391 40 0 CGABRO Cc1ccc(C(=O)Nc2nc([C@H]3CCC[NH2+]3)cs2)cc1 ZINC000585266932 346725731 /nfs/dbraw/zinc/72/57/31/346725731.db2.gz XKWKMAVVRYEBMH-GFCCVEGCSA-N 1 0 287.388 3.128 40 0 CGABRO [NH3+][C@H](CCc1ccccc1)c1cnc2ccccc2n1 ZINC000090587217 180009144 /nfs/dbraw/zinc/00/91/44/180009144.db2.gz KQHRPSMMQKDCBB-CQSZACIVSA-N 1 0 263.344 3.262 40 0 CGABRO CC[C@H]([NH2+]CC(C)C)c1cc(OC)ccc1OC ZINC000222636079 189732579 /nfs/dbraw/zinc/73/25/79/189732579.db2.gz OKJYAKKKQLIXQQ-AWEZNQCLSA-N 1 0 251.370 3.401 40 0 CGABRO CCOc1cc(C[NH2+]CCCOC)ccc1O[C@H](C)CC ZINC000225157987 189744584 /nfs/dbraw/zinc/74/45/84/189744584.db2.gz ZBRXEGGPLBGJFL-CQSZACIVSA-N 1 0 295.423 3.389 40 0 CGABRO CCC[n+]1c(C)n(C)c2cc(Cl)c(Cl)cc21 ZINC000000318003 368340779 /nfs/dbraw/zinc/34/07/79/368340779.db2.gz HPLNGHYJSUUIDY-UHFFFAOYSA-N 1 0 258.172 3.491 40 0 CGABRO COc1ccc(-c2csc(=[N+]3CCCCC3)s2)cc1 ZINC000001567117 368419636 /nfs/dbraw/zinc/41/96/36/368419636.db2.gz NNEBANCRSJZTKH-UHFFFAOYSA-N 1 0 292.449 3.441 40 0 CGABRO COc1cc(C[N@H+](C)C2CCCCC2)cc(OC)c1OC ZINC000001720685 368435937 /nfs/dbraw/zinc/43/59/37/368435937.db2.gz POQFABIHOCBEHN-UHFFFAOYSA-N 1 0 293.407 3.477 40 0 CGABRO Cc1c2ccccc2oc1C(=O)O[C@@H](C)[C@H](C)C[NH+](C)C ZINC000003066412 368489325 /nfs/dbraw/zinc/48/93/25/368489325.db2.gz RJPLRBLTTQHUCK-YPMHNXCESA-N 1 0 289.375 3.484 40 0 CGABRO CCCC[C@@H](CC)[C@H]1OC[C@H](C[NH+]2CCCCC2)O1 ZINC000004094091 368529590 /nfs/dbraw/zinc/52/95/90/368529590.db2.gz ZPDBNCKBKRZZEB-PMPSAXMXSA-N 1 0 269.429 3.430 40 0 CGABRO C[NH+](C)C[C@H]1CCCCCCCCC[C@@H](C[NH+](C)C)C1=O ZINC000003593643 368515046 /nfs/dbraw/zinc/51/50/46/368515046.db2.gz HRQRILLGGNNYSD-CALCHBBNSA-N 1 0 296.499 3.436 40 0 in-vivo CGABRO Cc1cc(Nc2ccccc2)nc(SCC[NH+](C)C)n1 ZINC000005739954 368564581 /nfs/dbraw/zinc/56/45/81/368564581.db2.gz VZMXBGPCOKDQDD-UHFFFAOYSA-N 1 0 288.420 3.182 40 0 CGABRO O=C(/C=C/c1ccco1)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013424811 368653640 /nfs/dbraw/zinc/65/36/40/368653640.db2.gz NXLHVPKRTYHUOA-RIEFBQKVSA-N 1 0 289.375 3.101 40 0 CGABRO CCc1cccc2cc(C[NH2+]C3CCCC3)c(=O)[nH]c21 ZINC000013566695 368656975 /nfs/dbraw/zinc/65/69/75/368656975.db2.gz OBWHNFFDCNKIKI-UHFFFAOYSA-N 1 0 270.376 3.123 40 0 CGABRO Cc1ccc(C[NH2+]Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000013998841 368672343 /nfs/dbraw/zinc/67/23/43/368672343.db2.gz QDKUSEOVZSIRQI-UHFFFAOYSA-N 1 0 292.382 3.435 40 0 CGABRO S=C(NCCC[NH+]1CCCC1)Nc1cccc(Cl)c1 ZINC000018168483 368740709 /nfs/dbraw/zinc/74/07/09/368740709.db2.gz CERBRGILJXFENL-UHFFFAOYSA-N 1 0 297.855 3.112 40 0 CGABRO Fc1ccc([C@@H]2COC[C@H]2[NH2+]Cc2cccs2)cc1 ZINC000019343755 368747797 /nfs/dbraw/zinc/74/77/97/368747797.db2.gz RUTAWRJGMADKPS-LSDHHAIUSA-N 1 0 277.364 3.159 40 0 CGABRO c1c([C@H]2CCCCC[NH2+]2)noc1-c1ccc2c(c1)OCO2 ZINC000019346359 368748961 /nfs/dbraw/zinc/74/89/61/368748961.db2.gz DRZXMKVBTJXTMR-GFCCVEGCSA-N 1 0 286.331 3.275 40 0 CGABRO CC1CCC(N2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000019900081 368776961 /nfs/dbraw/zinc/77/69/61/368776961.db2.gz ALKCVQHSCHWEHN-FRPQEJHRSA-N 1 0 288.479 3.395 40 0 CGABRO CCCC[C@@H](CC)COC[C@H](O)C[NH2+]Cc1ccccc1 ZINC000026897429 368865309 /nfs/dbraw/zinc/86/53/09/368865309.db2.gz FEKQTLCLFPIWFZ-SJLPKXTDSA-N 1 0 293.451 3.370 40 0 CGABRO COc1ccc([C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000034143465 368972573 /nfs/dbraw/zinc/97/25/73/368972573.db2.gz CNIBEWABPVGSSN-LJQANCHMSA-N 1 0 297.398 3.179 40 0 CGABRO Cc1nc(N(C)C)ccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072218744 369815437 /nfs/dbraw/zinc/81/54/37/369815437.db2.gz CEFLFJHFGLFQSJ-OAHLLOKOSA-N 1 0 261.413 3.249 40 0 CGABRO Cc1cc(C)nc([C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000072381088 369817215 /nfs/dbraw/zinc/81/72/15/369817215.db2.gz HEVYTQPSLUXYRQ-CQSZACIVSA-N 1 0 259.397 3.215 40 0 CGABRO CC[C@@H]([NH3+])c1cnc(N2CCc3ccccc3C2)c(C)c1 ZINC000072222854 369817954 /nfs/dbraw/zinc/81/79/54/369817954.db2.gz WGKKAWLJDCWQOG-QGZVFWFLSA-N 1 0 281.403 3.363 40 0 CGABRO CCc1cccc(C)c1NC(=O)CC1CC[NH+](C)CC1 ZINC000074920995 369890388 /nfs/dbraw/zinc/89/03/88/369890388.db2.gz ALKNBXGUQIXITB-UHFFFAOYSA-N 1 0 274.408 3.228 40 0 CGABRO Cc1c(Cl)cccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000074921006 369890521 /nfs/dbraw/zinc/89/05/21/369890521.db2.gz KHVLWLVFURJOES-UHFFFAOYSA-N 1 0 280.799 3.319 40 0 CGABRO CC[C@@H](C)Oc1c(C)cc(-c2noc(CC[NH3+])n2)cc1C ZINC000095095364 370175079 /nfs/dbraw/zinc/17/50/79/370175079.db2.gz YRJNJONAVHUKLQ-GFCCVEGCSA-N 1 0 289.379 3.032 40 0 CGABRO C[N@@H+]1CC[C@H](OCc2ccncc2)[C@@H](Cc2ccccc2)C1 ZINC000096208505 370207058 /nfs/dbraw/zinc/20/70/58/370207058.db2.gz PHAQLPBOQWWQPH-OALUTQOASA-N 1 0 296.414 3.161 40 0 CGABRO C[N@@H+]1CC[C@H](OCc2ccccn2)[C@@H](Cc2ccccc2)C1 ZINC000096208832 370207121 /nfs/dbraw/zinc/20/71/21/370207121.db2.gz ZMNGIFCNNGRFHK-HKUYNNGSSA-N 1 0 296.414 3.161 40 0 CGABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccs1)CC2 ZINC000096217674 370208382 /nfs/dbraw/zinc/20/83/82/370208382.db2.gz TULDFJMRTSVMJD-MRXNPFEDSA-N 1 0 292.448 3.115 40 0 CGABRO c1cc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ccccn2)C3)co1 ZINC000096216629 370208873 /nfs/dbraw/zinc/20/88/73/370208873.db2.gz ZXEMTJHLKFXPOH-SFHVURJKSA-N 1 0 297.402 3.167 40 0 CGABRO Cc1cc(F)c(C[NH2+][C@@H]2CCn3ccnc3C2)c(Cl)c1 ZINC000334566872 374867410 /nfs/dbraw/zinc/86/74/10/374867410.db2.gz QYNRAAYMAMISIJ-LLVKDONJSA-N 1 0 293.773 3.089 40 0 CGABRO COc1ccc(Oc2cccc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000257197931 190009854 /nfs/dbraw/zinc/00/98/54/190009854.db2.gz NQZMOLHHIJCGQH-ZDUSSCGKSA-N 1 0 284.359 3.350 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H](c2cccc(-c3ccnn3C)n2)C1 ZINC000257203317 190011765 /nfs/dbraw/zinc/01/17/65/190011765.db2.gz APMGDEIIFYFDFQ-AWEZNQCLSA-N 1 0 284.407 3.070 40 0 CGABRO Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2nccs2)ccn1 ZINC000257210170 190012516 /nfs/dbraw/zinc/01/25/16/190012516.db2.gz BTNKOXOIYHYUDG-HNNXBMFYSA-N 1 0 287.432 3.444 40 0 CGABRO Cc1ccc(C[NH+]2CCC(Cc3ccncc3)CC2)cn1 ZINC000257266108 190023169 /nfs/dbraw/zinc/02/31/69/190023169.db2.gz MBPWLJZCWDWSDH-UHFFFAOYSA-N 1 0 281.403 3.240 40 0 CGABRO c1nc(C[N@H+]2CCC[C@@H]2CCc2ccncc2)cs1 ZINC000257302409 190030117 /nfs/dbraw/zinc/03/01/17/190030117.db2.gz SCVUSRDXYREUDZ-OAHLLOKOSA-N 1 0 273.405 3.135 40 0 CGABRO CC[N@@H+]1CC[C@@H](C(N)(c2ccccc2)c2ccccc2)C1 ZINC000221267259 376213568 /nfs/dbraw/zinc/21/35/68/376213568.db2.gz NFPYOWPNXUFFDL-GOSISDBHSA-N 1 0 280.415 3.231 40 0 CGABRO CCOc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2C ZINC000223769103 376263168 /nfs/dbraw/zinc/26/31/68/376263168.db2.gz WRADWWHBSALTIT-UHFFFAOYSA-N 1 0 260.381 3.383 40 0 CGABRO COCC[NH2+][C@@H](C)c1ccc(OC2CCCC2)cc1 ZINC000225169588 376297506 /nfs/dbraw/zinc/29/75/06/376297506.db2.gz IHQXSSYJPQBXJF-ZDUSSCGKSA-N 1 0 263.381 3.305 40 0 CGABRO CCOCC[NH2+]Cc1cc2ccccc2c(OCC)c1 ZINC000096527838 256730870 /nfs/dbraw/zinc/73/08/70/256730870.db2.gz KIAXTQSDXWTPQT-UHFFFAOYSA-N 1 0 273.376 3.365 40 0 CGABRO CC1(C)CCC2=C(C1)[NH2+]CC1(C2)C(=O)CC(C)(C)CC1=O ZINC000001720676 391913139 /nfs/dbraw/zinc/91/31/39/391913139.db2.gz VEOQXFFZKXMUOF-UHFFFAOYSA-N 1 0 289.419 3.389 40 0 CGABRO CCOc1cc2c(cc1OC)CC[NH2+][C@H]2CC(C)C ZINC000003847333 391918269 /nfs/dbraw/zinc/91/82/69/391918269.db2.gz XFEQMTJELUMNLP-AWEZNQCLSA-N 1 0 263.381 3.327 40 0 CGABRO CC1=C2C(C)=CC(=O)O[C@H]2N(c2ccc(C)c(Cl)c2)[NH2+]1 ZINC000059416954 392117536 /nfs/dbraw/zinc/11/75/36/392117536.db2.gz ZRBAITHXDBBELJ-LSDHHAIUSA-N 1 0 290.750 3.290 40 0 CGABRO C[N@@H+]1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212004 392197507 /nfs/dbraw/zinc/19/75/07/392197507.db2.gz VHQKLEXLXFXILK-MRXNPFEDSA-N 1 0 268.360 3.427 40 0 CGABRO Nc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072212407 392197677 /nfs/dbraw/zinc/19/76/77/392197677.db2.gz DEQOKLHMLXXKIK-OAHLLOKOSA-N 1 0 253.349 3.001 40 0 CGABRO Cc1cc([C@@H]2CCC[N@H+]2CC(C)C)c[nH]c1=S ZINC000072218263 392200583 /nfs/dbraw/zinc/20/05/83/392200583.db2.gz DPQCNVHLSZFYTK-ZDUSSCGKSA-N 1 0 250.411 3.472 40 0 CGABRO CC[C@@H]([NH3+])c1ccc(N(C)Cc2ccccc2)nc1C ZINC000072224446 392204212 /nfs/dbraw/zinc/20/42/12/392204212.db2.gz JFESVYXULFGGFB-MRXNPFEDSA-N 1 0 269.392 3.436 40 0 CGABRO CC[C@H]([NH3+])c1ccc(N(C)Cc2ccccc2)nc1 ZINC000072225375 392204381 /nfs/dbraw/zinc/20/43/81/392204381.db2.gz GZXICPGQCQKZQB-HNNXBMFYSA-N 1 0 255.365 3.128 40 0 CGABRO COc1ccc(Cl)cc1-c1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000072209116 397640260 /nfs/dbraw/zinc/64/02/60/397640260.db2.gz XNNMINNOUGOMLF-NSHDSACASA-N 1 0 293.754 3.213 40 0 CGABRO COc1cc(NC2CCC([NH3+])CC2)c(OC)cc1Cl ZINC000094074113 165347020 /nfs/dbraw/zinc/34/70/20/165347020.db2.gz NBBSDRGAVOJIQM-UHFFFAOYSA-N 1 0 284.787 3.039 40 0 CGABRO CC[C@H](C)[NH2+]CCNc1cc(OC)cc2cccnc21 ZINC000005846395 170146789 /nfs/dbraw/zinc/14/67/89/170146789.db2.gz VAQXHINHDXOSSE-LBPRGKRZSA-N 1 0 273.380 3.043 40 0 CGABRO CC[N@H+](C[C@@H](O)COc1ccccc1F)C1CCCCC1 ZINC000006438588 170201353 /nfs/dbraw/zinc/20/13/53/170201353.db2.gz YQXPOVUFLYDKQQ-OAHLLOKOSA-N 1 0 295.398 3.220 40 0 CGABRO CCC[C@@H](C(=O)c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000013682089 170577780 /nfs/dbraw/zinc/57/77/80/170577780.db2.gz HWYVHRCKBXGZLV-HNNXBMFYSA-N 1 0 261.365 3.142 40 0 in-vitro CGABRO Cc1[nH+]c([C@@H]2CCN(C(=O)CC(C)C)C2)c2ccccn12 ZINC000019240688 170758714 /nfs/dbraw/zinc/75/87/14/170758714.db2.gz PDIAKVPJCQYQKD-CQSZACIVSA-N 1 0 285.391 3.005 40 0 CGABRO Cc1ccc(OC[C@@H](O)C[NH+]2CCCC2)c(C(C)(C)C)c1 ZINC000026781111 171499373 /nfs/dbraw/zinc/49/93/73/171499373.db2.gz RQDWJXHTEFYTDU-HNNXBMFYSA-N 1 0 291.435 3.128 40 0 CGABRO FC(F)(F)c1cnc(NC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000040435000 174261043 /nfs/dbraw/zinc/26/10/43/174261043.db2.gz JEOYNPTWXHGHRT-QMMMGPOBSA-N 1 0 293.720 3.165 40 0 CGABRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)Nc3ccccc3)n2)C1 ZINC000072359253 176377128 /nfs/dbraw/zinc/37/71/28/176377128.db2.gz JGKOJKUOHIWISJ-AWEZNQCLSA-N 1 0 295.386 3.143 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H]1CCc1cc(-c2cccnc2)ncn1 ZINC000072365142 176379977 /nfs/dbraw/zinc/37/99/77/176379977.db2.gz SYSYMNKTHFGBKE-KRWDZBQOSA-N 1 0 296.418 3.344 40 0 CGABRO COc1ccccc1Cc1cc([C@H]2CCC[NH2+]C2)ccn1 ZINC000072365270 176380516 /nfs/dbraw/zinc/38/05/16/176380516.db2.gz MZKDSOMMLLPZSF-INIZCTEOSA-N 1 0 282.387 3.148 40 0 CGABRO Cc1cccc(Nc2ccc([C@H]3CCCC[NH2+]3)cn2)n1 ZINC000072376695 176385232 /nfs/dbraw/zinc/38/52/32/176385232.db2.gz FIEKELXRNWBTKJ-CQSZACIVSA-N 1 0 268.364 3.343 40 0 CGABRO CC(C)(C)c1[nH]c2ncccc2c1C[NH+]1CCCC1 ZINC000072393629 176394541 /nfs/dbraw/zinc/39/45/41/176394541.db2.gz QAGLGQDUNVQLMJ-UHFFFAOYSA-N 1 0 257.381 3.456 40 0 CGABRO CC[NH+]1CCC2(CC1)CC(=O)c1ccc(Cl)cc1O2 ZINC000225826374 276152500 /nfs/dbraw/zinc/15/25/00/276152500.db2.gz NFOIZKUPJGGUFU-UHFFFAOYSA-N 1 0 279.767 3.160 40 0 CGABRO CC(C)c1ccc2oc(-c3ccc[n+](C)c3)nc2c1 ZINC000226774578 278052956 /nfs/dbraw/zinc/05/29/56/278052956.db2.gz HKGMZUOTYSDECI-UHFFFAOYSA-N 1 0 253.325 3.443 40 0 CGABRO C[C@@H]([NH3+])c1scc(Br)c1Br ZINC000085391246 278319317 /nfs/dbraw/zinc/31/93/17/278319317.db2.gz LFKKUBICHHRNSK-GSVOUGTGSA-N 1 0 285.004 3.293 40 0 CGABRO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H]([NH3+])c1ccccc1 ZINC000072208963 280312608 /nfs/dbraw/zinc/31/26/08/280312608.db2.gz JIMJVFSLVVNKKW-KGLIPLIRSA-N 1 0 278.396 3.236 40 0 CGABRO C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000034418978 289489920 /nfs/dbraw/zinc/48/99/20/289489920.db2.gz CCZUYJZXWSXNJJ-CYBMUJFWSA-N 1 0 278.396 3.080 40 0 CGABRO [NH3+]Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000019507970 567905405 /nfs/dbraw/zinc/90/54/05/567905405.db2.gz PQZLVVRHCFALEC-UHFFFAOYSA-N 1 0 294.276 3.416 40 0 CGABRO Cc1cccc(-c2nnc([C@H]([NH3+])Cc3ccccc3)[nH]2)c1 ZINC000095534912 185008357 /nfs/dbraw/zinc/00/83/57/185008357.db2.gz CDVCXOPXYSKSHV-OAHLLOKOSA-N 1 0 278.359 3.023 40 0 CGABRO C[C@@H]1C[C@](O)(Cc2cccc3ccccc32)[C@H](C)C[N@@H+]1C ZINC000004474222 344860252 /nfs/dbraw/zinc/86/02/52/344860252.db2.gz NVBSQIZIZBOTAX-CLCXKQKWSA-N 1 0 283.415 3.474 40 0 CGABRO Clc1ccc(-c2nccc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000205673689 346283272 /nfs/dbraw/zinc/28/32/72/346283272.db2.gz FFBNQKHQZWBICX-LBPRGKRZSA-N 1 0 259.740 3.222 40 0 CGABRO c1sc(Nc2ccccn2)nc1[C@H]1CCCC[NH2+]1 ZINC000205681026 346283370 /nfs/dbraw/zinc/28/33/70/346283370.db2.gz QYDIDYKPHLBPJC-SNVBAGLBSA-N 1 0 260.366 3.096 40 0 CGABRO CC(C)C[N@@H+]1CCC[C@@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099686 346724526 /nfs/dbraw/zinc/72/45/26/346724526.db2.gz XRMHCENIZJIEPY-SFHVURJKSA-N 1 0 292.467 3.147 40 0 CGABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3ccc4[nH]ccc4c3)C2)n1 ZINC000585181422 346725694 /nfs/dbraw/zinc/72/56/94/346725694.db2.gz DQXCGGHHHOBFNX-HNNXBMFYSA-N 1 0 280.375 3.189 40 0 CGABRO OC1(COc2cccc(Cl)c2)CC[NH+](C2CCC2)CC1 ZINC000585281009 346725777 /nfs/dbraw/zinc/72/57/77/346725777.db2.gz DFVMPKOMDLBEIU-UHFFFAOYSA-N 1 0 295.810 3.098 40 0 CGABRO Cc1nc(CN2CCC[C@@H](c3nccs3)C2)cs1 ZINC000120592232 370784273 /nfs/dbraw/zinc/78/42/73/370784273.db2.gz UJIYMULOXZRMMR-LLVKDONJSA-N 1 0 279.434 3.288 40 0 CGABRO [NH3+]CCc1c[nH]c2c1cccc2OCc1ccccc1 ZINC000000039096 368275854 /nfs/dbraw/zinc/27/58/54/368275854.db2.gz JOYGWYISRWPUIM-UHFFFAOYSA-N 1 0 266.344 3.248 40 0 in-vivo CGABRO COC(=O)C[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001698287 368432716 /nfs/dbraw/zinc/43/27/16/368432716.db2.gz PEXABBMNOLTVOG-CQSZACIVSA-N 1 0 281.783 3.430 40 0 CGABRO CC[NH2+]CCCNc1ccnc2cc(Cl)ccc21 ZINC000001709131 368434529 /nfs/dbraw/zinc/43/45/29/368434529.db2.gz PTUPONJGTDQYHZ-UHFFFAOYSA-N 1 0 263.772 3.300 40 0 CGABRO C[NH+](C)Cc1ccccc1COC(=O)c1ccccc1 ZINC000001716130 368434752 /nfs/dbraw/zinc/43/47/52/368434752.db2.gz FUOZEHDCNWRIAJ-UHFFFAOYSA-N 1 0 269.344 3.105 40 0 CGABRO CC(C)(C)OC(=O)NCCCCCCCCC[NH3+] ZINC000002389759 368455055 /nfs/dbraw/zinc/45/50/55/368455055.db2.gz GZUNGYDAMPRXSU-UHFFFAOYSA-N 1 0 258.406 3.201 40 0 CGABRO C[C@@H]1[C@@H](O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000004011406 368525956 /nfs/dbraw/zinc/52/59/56/368525956.db2.gz RUYRAUWKVSWJFK-ZSGPHXLJSA-N 1 0 267.372 3.459 40 0 CGABRO CCOC(=O)c1[nH]c(C)c(/C=C/C2=CC[N@H+](C)CC2)c1C ZINC000012143036 368605073 /nfs/dbraw/zinc/60/50/73/368605073.db2.gz FMKWKLBVLYAYNW-VOTSOKGWSA-N 1 0 288.391 3.083 40 0 CGABRO O=C1C[C@H]([C@H]2CCC[NH2+]C2)Oc2ccc3ccccc3c21 ZINC000013567021 368657987 /nfs/dbraw/zinc/65/79/87/368657987.db2.gz ISJDIJKPQDJCDQ-SUMWQHHRSA-N 1 0 281.355 3.173 40 0 CGABRO Cc1ccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019789303 368766099 /nfs/dbraw/zinc/76/60/99/368766099.db2.gz UHGCEAWGKVKSQP-AABGKKOBSA-N 1 0 296.458 3.325 40 0 CGABRO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(C2CCCCC2)CC1 ZINC000019790061 368767423 /nfs/dbraw/zinc/76/74/23/368767423.db2.gz DIIFCJPVJUHLRT-IKGGRYGDSA-N 1 0 274.452 3.149 40 0 CGABRO Fc1ccc(C[NH2+][C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019334711 368748331 /nfs/dbraw/zinc/74/83/31/368748331.db2.gz LEAWLHVOOWLEHO-DLBZAZTESA-N 1 0 289.325 3.237 40 0 CGABRO CCc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cs1 ZINC000019522125 368756311 /nfs/dbraw/zinc/75/63/11/368756311.db2.gz IFPJJDBQZRXQTI-ZDUSSCGKSA-N 1 0 294.464 3.305 40 0 CGABRO CC(C)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000027932549 368878035 /nfs/dbraw/zinc/87/80/35/368878035.db2.gz USRTXBVXDNGOSD-INIZCTEOSA-N 1 0 287.407 3.122 40 0 CGABRO COC(=O)[C@H](c1ccc2ccccc2c1)[C@H]1CCCC[NH2+]1 ZINC000029484313 368896731 /nfs/dbraw/zinc/89/67/31/368896731.db2.gz DNRNSIJBSCBESJ-IAGOWNOFSA-N 1 0 283.371 3.239 40 0 in-vitro CGABRO Brc1ccc2oc([C@H]3CCC[NH2+]C3)nc2c1 ZINC000062557597 369624847 /nfs/dbraw/zinc/62/48/47/369624847.db2.gz WGMCAXXDWZXUHA-QMMMGPOBSA-N 1 0 281.153 3.057 40 0 CGABRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000067801170 369730564 /nfs/dbraw/zinc/73/05/64/369730564.db2.gz VWLSSVHMGGWIDG-OAHLLOKOSA-N 1 0 290.407 3.094 40 0 CGABRO OC[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000070453126 369799835 /nfs/dbraw/zinc/79/98/35/369799835.db2.gz JOHPZSUHNXTCCN-CYBMUJFWSA-N 1 0 289.297 3.105 40 0 CGABRO C[NH+]1CCC(CC(=O)Nc2ccccc2Cl)CC1 ZINC000074921003 369890635 /nfs/dbraw/zinc/89/06/35/369890635.db2.gz IKAZZUKTFSNOJI-UHFFFAOYSA-N 1 0 266.772 3.010 40 0 CGABRO CC(C)[NH+]1CCC(O)(c2cc(F)cc(Cl)c2)CC1 ZINC000079030384 369960084 /nfs/dbraw/zinc/96/00/84/369960084.db2.gz TXKFQGNOSMGRGJ-UHFFFAOYSA-N 1 0 271.763 3.171 40 0 CGABRO CCOc1cc(C[N@@H+]2CC[C@H](CC)C2)ccc1OC ZINC000091929651 370081117 /nfs/dbraw/zinc/08/11/17/370081117.db2.gz ADABDHPILACLIK-ZDUSSCGKSA-N 1 0 263.381 3.326 40 0 CGABRO COc1ccc2c(c1)[nH]c1c2CC[NH2+][C@@H]1CC(C)C ZINC000095080096 370170877 /nfs/dbraw/zinc/17/08/77/370170877.db2.gz JOHCBNNWOXVDNR-OAHLLOKOSA-N 1 0 258.365 3.409 40 0 CGABRO C[N@@H+]1CC[C@H](OCc2cccnc2)[C@@H](Cc2ccccc2)C1 ZINC000096218554 370208959 /nfs/dbraw/zinc/20/89/59/370208959.db2.gz OAHSFYABROSXNM-OALUTQOASA-N 1 0 296.414 3.161 40 0 CGABRO CCOC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000098091193 370264233 /nfs/dbraw/zinc/26/42/33/370264233.db2.gz XFESHQNKLZLTHP-NWANDNLSSA-N 1 0 261.365 3.069 40 0 CGABRO Clc1cccc2c(N3CC[C@]4(CC[NH2+]C4)C3)ccnc12 ZINC000334990119 375055862 /nfs/dbraw/zinc/05/58/62/375055862.db2.gz MVBAZIPMJANDLZ-INIZCTEOSA-N 1 0 287.794 3.078 40 0 CGABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)n1 ZINC000257202134 190010966 /nfs/dbraw/zinc/01/09/66/190010966.db2.gz AKQDPKYZXBLFPV-CYBMUJFWSA-N 1 0 273.405 3.226 40 0 CGABRO Cc1csc(-c2ccc(CC3CC[NH2+]CC3)cn2)n1 ZINC000257254234 190020819 /nfs/dbraw/zinc/02/08/19/190020819.db2.gz KCHFJYOIIIXGHR-UHFFFAOYSA-N 1 0 273.405 3.056 40 0 CGABRO Cc1cn(C)c([C@@H]2CC[N@H+](CCCc3ccccc3)C2)n1 ZINC000257245999 190019106 /nfs/dbraw/zinc/01/91/06/190019106.db2.gz ISAFHLLNQZGDKX-QGZVFWFLSA-N 1 0 283.419 3.151 40 0 CGABRO C[N@@H+]1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257285610 190027141 /nfs/dbraw/zinc/02/71/41/190027141.db2.gz PHYJMFMVFXFBBZ-ZDUSSCGKSA-N 1 0 274.339 3.214 40 0 CGABRO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000257288957 190027516 /nfs/dbraw/zinc/02/75/16/190027516.db2.gz PWKPWUJUQXHBHR-CYBMUJFWSA-N 1 0 275.421 3.088 40 0 CGABRO CC[C@H]([NH2+]CC(C)C)c1cccc(OC)c1OC ZINC000222637889 376241080 /nfs/dbraw/zinc/24/10/80/376241080.db2.gz IRPXRGXHLTVDHT-ZDUSSCGKSA-N 1 0 251.370 3.401 40 0 CGABRO C[NH2+]Cc1c2cc(OC)ccc2n(CC(C)C)c1C ZINC000223758738 376261883 /nfs/dbraw/zinc/26/18/83/376261883.db2.gz XADUDOMRPPFEIJ-UHFFFAOYSA-N 1 0 260.381 3.334 40 0 CGABRO CC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)[C@@H]2CCCC[C@H]21 ZINC000229908291 376478282 /nfs/dbraw/zinc/47/82/82/376478282.db2.gz TYRBZUUHADCCGQ-KURKYZTESA-N 1 0 287.403 3.339 40 0 CGABRO Nc1ccccc1OC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000575423920 377908123 /nfs/dbraw/zinc/90/81/23/377908123.db2.gz TWPXBBQZWWSGGZ-MRXNPFEDSA-N 1 0 282.387 3.312 40 0 CGABRO COc1ccc([C@H]2C[NH2+]Cc3ccccc3C2)cc1OC ZINC000096524354 256731824 /nfs/dbraw/zinc/73/18/24/256731824.db2.gz IHIMIIAOOJJZRJ-MRXNPFEDSA-N 1 0 283.371 3.133 40 0 CGABRO COc1cc2[nH+]c(C)c(C(C)C)c(N)c2cc1OC ZINC000061687746 256724560 /nfs/dbraw/zinc/72/45/60/256724560.db2.gz SIARFDOGNFOOTL-UHFFFAOYSA-N 1 0 260.337 3.266 40 0 CGABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCCCC1 ZINC000003864481 391919301 /nfs/dbraw/zinc/91/93/01/391919301.db2.gz UGFKGDCZWPHAQX-XWTMOSNGSA-N 1 0 297.483 3.311 40 0 CGABRO C[NH2+][C@@H](c1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072207639 392195986 /nfs/dbraw/zinc/19/59/86/392195986.db2.gz LVCAAGRDHHKLEF-CABCVRRESA-N 1 0 292.423 3.496 40 0 CGABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N(CC)CC)nc1 ZINC000072212837 392198774 /nfs/dbraw/zinc/19/87/74/392198774.db2.gz QDCGDGAFWLTSGF-OAHLLOKOSA-N 1 0 261.413 3.475 40 0 CGABRO CC[C@H]([NH3+])c1ccc(N2CCc3ccccc3C2)nc1 ZINC000072225772 392204171 /nfs/dbraw/zinc/20/41/71/392204171.db2.gz JJPGAMWSMJFDEQ-INIZCTEOSA-N 1 0 267.376 3.054 40 0 CGABRO Cc1cccc(C)c1OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000005186729 170075006 /nfs/dbraw/zinc/07/50/06/170075006.db2.gz CLXJBSWMGNPNLE-IXDOHACOSA-N 1 0 291.435 3.306 40 0 CGABRO CCCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000006324986 170191472 /nfs/dbraw/zinc/19/14/72/170191472.db2.gz PQAWTKDGLUPFGC-RDJZCZTQSA-N 1 0 291.435 3.253 40 0 CGABRO COc1ccc(C[NH2+]C2CCCCC2)c(OC)c1OC ZINC000008473495 170337028 /nfs/dbraw/zinc/33/70/28/170337028.db2.gz XFFWIIVANMQONR-UHFFFAOYSA-N 1 0 279.380 3.135 40 0 CGABRO CCCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020480929 171222011 /nfs/dbraw/zinc/22/20/11/171222011.db2.gz YYQYZCAOPCUHHO-AWEZNQCLSA-N 1 0 274.408 3.058 40 0 CGABRO [NH3+]CCN[C@@H](c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000022917563 171402917 /nfs/dbraw/zinc/40/29/17/171402917.db2.gz VDRQPDAUFPVBKA-HNNXBMFYSA-N 1 0 296.748 3.256 40 0 CGABRO CCn1c2ccc(Cl)cc2nc1CCCCC[NH3+] ZINC000037440342 173210122 /nfs/dbraw/zinc/21/01/22/173210122.db2.gz UIQOFVHCTLZFCE-UHFFFAOYSA-N 1 0 265.788 3.381 40 0 CGABRO CC(C)CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000044790064 175254373 /nfs/dbraw/zinc/25/43/73/175254373.db2.gz ZZIAJJRTNHCODW-KRWDZBQOSA-N 1 0 288.435 3.061 40 0 CGABRO Clc1ccc(CNC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000072203697 176342040 /nfs/dbraw/zinc/34/20/40/176342040.db2.gz HIGXXIVDJZNECU-LBPRGKRZSA-N 1 0 273.207 3.225 40 0 CGABRO CC(=O)Nc1cccc(-c2cccc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000072348390 176373139 /nfs/dbraw/zinc/37/31/39/176373139.db2.gz IYQPZCQLLHXSAH-HNNXBMFYSA-N 1 0 295.386 3.174 40 0 CGABRO COc1ccccc1Cc1cccc(C2CC[NH+](C)CC2)n1 ZINC000072348580 176373813 /nfs/dbraw/zinc/37/38/13/176373813.db2.gz IMINTKFTGUNKQS-UHFFFAOYSA-N 1 0 296.414 3.490 40 0 CGABRO Fc1ccc(Cc2cccc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000072356416 176375453 /nfs/dbraw/zinc/37/54/53/176375453.db2.gz TXPLHIQUPXHRQS-CQSZACIVSA-N 1 0 270.351 3.279 40 0 CGABRO Fc1ccc(Cc2cccc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000072356419 176375521 /nfs/dbraw/zinc/37/55/21/176375521.db2.gz NHCHGNJJPJTAFC-OAHLLOKOSA-N 1 0 256.324 3.236 40 0 CGABRO Cc1cccc(-c2cncc([C@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000072359270 176376949 /nfs/dbraw/zinc/37/69/49/176376949.db2.gz SGLXAQOLRGQOIN-HNNXBMFYSA-N 1 0 267.376 3.261 40 0 CGABRO Cc1ccccc1NC(=O)c1cccc(C2CC[NH2+]CC2)n1 ZINC000072365593 176380711 /nfs/dbraw/zinc/38/07/11/176380711.db2.gz QNIKCKLOYKPIJH-UHFFFAOYSA-N 1 0 295.386 3.109 40 0 CGABRO C[N@@H+]1CCCC[C@@H]1c1cncc(Cc2ccc(F)cc2)n1 ZINC000072366305 176381309 /nfs/dbraw/zinc/38/13/09/176381309.db2.gz DQZUVAGLYOXOLB-QGZVFWFLSA-N 1 0 285.366 3.363 40 0 CGABRO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2cnccn2)C1 ZINC000072369371 176383848 /nfs/dbraw/zinc/38/38/48/176383848.db2.gz SXQZXDHIDRAXMO-CYBMUJFWSA-N 1 0 273.405 3.226 40 0 CGABRO Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000072384954 176388970 /nfs/dbraw/zinc/38/89/70/176388970.db2.gz FLVPXSIIJIMHOM-MRXNPFEDSA-N 1 0 267.376 3.083 40 0 CGABRO CC[C@@]12CCCC[C@H]1[C@H]([NH2+]C)Cc1ccc(OC)c(O)c12 ZINC000005732941 287442258 /nfs/dbraw/zinc/44/22/58/287442258.db2.gz CBFWFEDSFMJHCD-PMUMKWKESA-N 1 0 289.419 3.383 40 0 CGABRO CC1(C)Nc2ccccc2C(c2ccccc2)[N+]1=O ZINC000010150748 276154792 /nfs/dbraw/zinc/15/47/92/276154792.db2.gz DTOGVDLJHZCPHB-UHFFFAOYSA-N 1 0 252.317 3.196 40 0 CGABRO CC[C@H](C)n1c2ccc(Cl)cc2nc1CC[NH3+] ZINC000040408286 276565045 /nfs/dbraw/zinc/56/50/45/276565045.db2.gz PVOGRZVLMDRLTR-VIFPVBQESA-N 1 0 251.761 3.162 40 0 CGABRO Cc1ccc(-c2cc[n+]3cc(Cl)ccc3n2)cc1 ZINC000006845938 280719246 /nfs/dbraw/zinc/71/92/46/280719246.db2.gz SWJTYTPBHHJCJN-UHFFFAOYSA-N 1 0 255.728 3.449 40 0 CGABRO C[NH+](C)C[C@](C)(Oc1ccccc1)[C@@H](O)c1ccccc1 ZINC000001843239 289222658 /nfs/dbraw/zinc/22/26/58/289222658.db2.gz VLTKRRBYKMGKNV-ROUUACIJSA-N 1 0 285.387 3.119 40 0 CGABRO Nc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072212408 295372018 /nfs/dbraw/zinc/37/20/18/295372018.db2.gz DEQOKLHMLXXKIK-HNNXBMFYSA-N 1 0 253.349 3.001 40 0 CGABRO FC(F)(F)c1cccc(N2CC[NH2+][C@H]3CCCC[C@@H]32)c1 ZINC000225713071 303118872 /nfs/dbraw/zinc/11/88/72/303118872.db2.gz MOJDEZKTQJCUMI-KBPBESRZSA-N 1 0 284.325 3.426 40 0 CGABRO CC(C)Nc1ncc(C[NH2+]C2CCCCCCC2)cn1 ZINC000062717631 333175817 /nfs/dbraw/zinc/17/58/17/333175817.db2.gz CWJHSYKTJKSRSG-UHFFFAOYSA-N 1 0 276.428 3.499 40 0 CGABRO COc1cc(C=O)ccc1OCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000217789154 533719919 /nfs/dbraw/zinc/71/99/19/533719919.db2.gz BGJXXLPIECDXQG-KBPBESRZSA-N 1 0 291.391 3.149 40 0 CGABRO CCn1cc(Cc2cccc(C(F)(F)F)c2)[nH+]c1N ZINC000199550198 567906291 /nfs/dbraw/zinc/90/62/91/567906291.db2.gz LHQWNVMDFBFIFP-UHFFFAOYSA-N 1 0 269.270 3.095 40 0 CGABRO C[N@@H+]1CCCCC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096051197 185074320 /nfs/dbraw/zinc/07/43/20/185074320.db2.gz BGOMXICOURNAGK-UHFFFAOYSA-N 1 0 276.399 3.276 40 0 CGABRO CCN1C(=O)CC[C@@]12CCC[N@H+](CC1CCCCC1)CC2 ZINC000585100690 346724371 /nfs/dbraw/zinc/72/43/71/346724371.db2.gz SWLBQZHSKKOFDP-GOSISDBHSA-N 1 0 292.467 3.434 40 0 CGABRO FC(F)(F)c1ccc(N2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1 ZINC000225714112 282920685 /nfs/dbraw/zinc/92/06/85/282920685.db2.gz XVURUWLGVOZVRS-KGLIPLIRSA-N 1 0 284.325 3.426 40 0 CGABRO NC(=[NH2+])c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000199742942 283262376 /nfs/dbraw/zinc/26/23/76/283262376.db2.gz VDGBHRRPQTWDCI-UHFFFAOYSA-N 1 0 256.149 3.008 40 0 CGABRO [NH3+][C@H]1CCCC[C@@H]1Nc1ccccc1Br ZINC000218859461 283622567 /nfs/dbraw/zinc/62/25/67/283622567.db2.gz XDJVHLGILBAFGM-JQWIXIFHSA-N 1 0 269.186 3.131 40 0 CGABRO C[n+]1sc(Nc2ccccc2)nc1-c1ccccc1 ZINC000000311281 368338641 /nfs/dbraw/zinc/33/86/41/368338641.db2.gz KJJGBFUOBDQHSH-UHFFFAOYSA-O 1 0 268.365 3.378 40 0 CGABRO O[C@@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1cccs1 ZINC000001615822 368423973 /nfs/dbraw/zinc/42/39/73/368423973.db2.gz NTSRPUIASHVFML-IHRRRGAJSA-N 1 0 265.422 3.294 40 0 CGABRO C[NH+](C)C[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001670707 368428438 /nfs/dbraw/zinc/42/84/38/368428438.db2.gz XEUOPBITPYQCMJ-IRXDYDNUSA-N 1 0 255.361 3.065 40 0 CGABRO C[C@H](COC(=O)c1ccccc1)[NH2+]C1CCCCC1 ZINC000001709164 368434815 /nfs/dbraw/zinc/43/48/15/368434815.db2.gz VYOGAMNPDNSPEN-CYBMUJFWSA-N 1 0 261.365 3.154 40 0 CGABRO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000002675091 368473180 /nfs/dbraw/zinc/47/31/80/368473180.db2.gz NEDDHYXPADOFIQ-AWEZNQCLSA-N 1 0 297.414 3.370 40 0 CGABRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000003141362 368493873 /nfs/dbraw/zinc/49/38/73/368493873.db2.gz KIMROAPJONSNJU-OAHLLOKOSA-N 1 0 274.408 3.425 40 0 CGABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccccc1Cl ZINC000004317312 368543913 /nfs/dbraw/zinc/54/39/13/368543913.db2.gz FAZMNLYUYMNNHO-IHRRRGAJSA-N 1 0 297.826 3.343 40 0 CGABRO Cc1cccc2cc(C[NH2+]CCc3ccccc3)c(=O)[nH]c12 ZINC000013566540 368657210 /nfs/dbraw/zinc/65/72/10/368657210.db2.gz XFNAPGLCCUFOQZ-UHFFFAOYSA-N 1 0 292.382 3.169 40 0 CGABRO Cc1ccc(C[NH2+][C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019210419 368745847 /nfs/dbraw/zinc/74/58/47/368745847.db2.gz SYIYZFKTRFPGTL-ZWKOTPCHSA-N 1 0 285.362 3.406 40 0 CGABRO Fc1ccc([C@@H]2COC[C@H]2[NH2+]Cc2cccc(F)c2)cc1 ZINC000019293934 368748781 /nfs/dbraw/zinc/74/87/81/368748781.db2.gz NPDDOBSFRNEKTB-DLBZAZTESA-N 1 0 289.325 3.237 40 0 CGABRO CSc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000019575754 368756866 /nfs/dbraw/zinc/75/68/66/368756866.db2.gz JVJKUUUZHSHHMB-DZGCQCFKSA-N 1 0 276.449 3.077 40 0 CGABRO CN(Cc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000036300934 369016129 /nfs/dbraw/zinc/01/61/29/369016129.db2.gz HZPWWEIANFAVAY-UHFFFAOYSA-N 1 0 273.207 3.177 40 0 CGABRO CC(C)N(CC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000042428487 369221518 /nfs/dbraw/zinc/22/15/18/369221518.db2.gz AONVJFRTVHDRLR-UHFFFAOYSA-N 1 0 261.196 3.163 40 0 CGABRO CC(C)c1nc2ccccc2n1C[C@H]1CCC[NH2+]C1 ZINC000057865707 369547894 /nfs/dbraw/zinc/54/78/94/369547894.db2.gz LAGSQRQTNCLSRH-ZDUSSCGKSA-N 1 0 257.381 3.159 40 0 CGABRO CC[N@H+](CCc1c[nH]c2ccc(OC)cc12)C(C)C ZINC000059043653 369578034 /nfs/dbraw/zinc/57/80/34/369578034.db2.gz VVEQXDHSGNBFLZ-UHFFFAOYSA-N 1 0 260.381 3.449 40 0 in-vitro CGABRO CC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCCO2)cc1OC ZINC000066115668 369687905 /nfs/dbraw/zinc/68/79/05/369687905.db2.gz DMZRMQMRLZZUJU-UKRRQHHQSA-N 1 0 293.407 3.141 40 0 CGABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072355676 369817156 /nfs/dbraw/zinc/81/71/56/369817156.db2.gz QXYZSGSPJSLMSF-HNNXBMFYSA-N 1 0 284.407 3.375 40 0 CGABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000082337377 370002850 /nfs/dbraw/zinc/00/28/50/370002850.db2.gz RRCYGZRZBYQPDA-SECBINFHSA-N 1 0 287.190 3.274 40 0 CGABRO c1cc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)cs1 ZINC000096255071 370209510 /nfs/dbraw/zinc/20/95/10/370209510.db2.gz RIKUMKCGYLZMMO-UHFFFAOYSA-N 1 0 285.416 3.016 40 0 CGABRO COc1ccc(Cc2ccc([C@@H]3CCCC[NH2+]3)cn2)cc1 ZINC000257198357 190010627 /nfs/dbraw/zinc/01/06/27/190010627.db2.gz ZZTUUOUXLPVKIQ-SFHVURJKSA-N 1 0 282.387 3.496 40 0 CGABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)s1 ZINC000257216192 190013660 /nfs/dbraw/zinc/01/36/60/190013660.db2.gz CTNGCQUTTKCLQC-ZDUSSCGKSA-N 1 0 273.405 3.226 40 0 CGABRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)s1 ZINC000257217169 190013871 /nfs/dbraw/zinc/01/38/71/190013871.db2.gz CXUUNKKAFQYANE-CQSZACIVSA-N 1 0 259.378 3.184 40 0 CGABRO CC(C)[NH+]1CCC(c2cccc(-c3cc[nH]n3)n2)CC1 ZINC000257240175 190018584 /nfs/dbraw/zinc/01/85/84/190018584.db2.gz HSKZTYUGODLRKY-UHFFFAOYSA-N 1 0 270.380 3.060 40 0 CGABRO Cc1n[nH]c(C)c1-c1cnc([C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257254364 190021102 /nfs/dbraw/zinc/02/11/02/190021102.db2.gz KCSVUJHOHFEKPT-CQSZACIVSA-N 1 0 299.422 3.071 40 0 CGABRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000257304593 190030080 /nfs/dbraw/zinc/03/00/80/190030080.db2.gz SMIRFTJJGVNBOS-INIZCTEOSA-N 1 0 292.386 3.256 40 0 CGABRO COCCC[NH2+]Cc1cccn1Cc1ccc(Cl)cc1 ZINC000223679069 376259284 /nfs/dbraw/zinc/25/92/84/376259284.db2.gz JYQYAPCYQJFYNQ-UHFFFAOYSA-N 1 0 292.810 3.316 40 0 CGABRO CCCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000225161831 376296273 /nfs/dbraw/zinc/29/62/73/376296273.db2.gz XJUHXZSRFBKDGD-KGLIPLIRSA-N 1 0 263.381 3.305 40 0 CGABRO CC[C@@H](C)Oc1ccc([C@H](C)[NH2+]CCOC)cc1 ZINC000225169752 376297457 /nfs/dbraw/zinc/29/74/57/376297457.db2.gz PEMSCOJQOXXGFM-OLZOCXBDSA-N 1 0 251.370 3.161 40 0 CGABRO Cc1ccc([C@@H]2SC(=[NH2+])N[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC000253566005 377698957 /nfs/dbraw/zinc/69/89/57/377698957.db2.gz ILDUQMPCSDTLHJ-JYJNAYRXSA-N 1 0 298.411 3.200 40 0 CGABRO Cc1cc([C@@H](C)NC2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000282874405 380004766 /nfs/dbraw/zinc/00/47/66/380004766.db2.gz VJPPWEPSARJEBZ-OAHLLOKOSA-N 1 0 299.418 3.298 40 0 CGABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2c(F)cccc2Cl)C1 ZINC000022178477 296400171 /nfs/dbraw/zinc/40/01/71/296400171.db2.gz MGGRPVFTHDOROX-MFKMUULPSA-N 1 0 270.779 3.211 40 0 CGABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccoc1)Cc1ccncc1 ZINC000022913918 285253519 /nfs/dbraw/zinc/25/35/19/285253519.db2.gz RFIBVJAMPOYDAI-GOSISDBHSA-N 1 0 299.418 3.161 40 0 CGABRO [NH3+]C1(CN2CC[C@@H]3CCCC[C@H]3C2)CCCCC1 ZINC000242750476 256698186 /nfs/dbraw/zinc/69/81/86/256698186.db2.gz ZOFPTYINVTXSPG-GJZGRUSLSA-N 1 0 250.430 3.160 40 0 CGABRO CC(C)c1[nH]c2ncccc2c1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019497522 391936044 /nfs/dbraw/zinc/93/60/44/391936044.db2.gz CPHPWTVYENAAHA-BETUJISGSA-N 1 0 287.407 3.296 40 0 CGABRO CCO[C@@H]1CC2(CC[NH+](C)CC2)c2cc(OC)ccc21 ZINC000096241875 392246314 /nfs/dbraw/zinc/24/63/14/392246314.db2.gz JNNJDJSVBLJSBO-MRXNPFEDSA-N 1 0 275.392 3.140 40 0 CGABRO CC1CCN([C@H](C[NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000095532284 392244209 /nfs/dbraw/zinc/24/42/09/392244209.db2.gz RHNNCDOJOWDLRB-CQSZACIVSA-N 1 0 286.341 3.437 40 0 CGABRO CC(C)C[N@@H+]1CCC[C@]2(CCN(c3ccccn3)C2)C1 ZINC000096215270 392246940 /nfs/dbraw/zinc/24/69/40/392246940.db2.gz PRZFXCNAKBRMPP-KRWDZBQOSA-N 1 0 273.424 3.030 40 0 CGABRO CC[N@@H+]1CCC[C@H]1COCc1cccc(Br)c1 ZINC000096525818 392257766 /nfs/dbraw/zinc/25/77/66/392257766.db2.gz JGWOLPIDJOUCBL-AWEZNQCLSA-N 1 0 298.224 3.450 40 0 CGABRO CCOC(=O)C1=C(C)/C(=C/C=C2/C=CC=CN2C)C(C)=N1 ZINC000334139383 392706421 /nfs/dbraw/zinc/70/64/21/392706421.db2.gz MZABXGNGBHMJQI-TYPNBTCFSA-N 1 0 284.359 3.124 40 0 CGABRO Cc1cccc2cc(C[NH2+]C3CCCCC3)c3nnnn3c12 ZINC000004890467 170036443 /nfs/dbraw/zinc/03/64/43/170036443.db2.gz SCLUAKVBGZZTKG-UHFFFAOYSA-N 1 0 295.390 3.008 40 0 CGABRO Cc1ccc(C[NH2+]CCCSc2ncccn2)cc1 ZINC000004998971 170052605 /nfs/dbraw/zinc/05/26/05/170052605.db2.gz NUEKNLRGQUYUPV-UHFFFAOYSA-N 1 0 273.405 3.057 40 0 CGABRO C[n+]1ccccc1/C=C/c1ccc(Br)o1 ZINC000005002313 170053400 /nfs/dbraw/zinc/05/34/00/170053400.db2.gz CPRGFWDMEJWIHR-AATRIKPKSA-N 1 0 265.130 3.037 40 0 CGABRO CC[NH+](CC)Cc1c(C)[nH]c2c(OC)cccc2c1=O ZINC000005499420 170104793 /nfs/dbraw/zinc/10/47/93/170104793.db2.gz GDEIRKCAARMZOP-UHFFFAOYSA-N 1 0 274.364 3.099 40 0 CGABRO Cc1cc(C)cc(NC(=S)NCCC[NH+]2CCCC2)c1 ZINC000007026932 170262715 /nfs/dbraw/zinc/26/27/15/170262715.db2.gz SLXITEZUJXWNNX-UHFFFAOYSA-N 1 0 291.464 3.076 40 0 CGABRO COc1cc(C=O)ccc1OCCC[N@@H+]1CCCC[C@H]1C ZINC000008731553 170351211 /nfs/dbraw/zinc/35/12/11/170351211.db2.gz YDSXYOFZQQVXGL-CQSZACIVSA-N 1 0 291.391 3.151 40 0 CGABRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010333489 170404987 /nfs/dbraw/zinc/40/49/87/170404987.db2.gz VBXZBKACLIBXGD-CGTJXYLNSA-N 1 0 298.430 3.201 40 0 CGABRO [NH3+]C[C@H](c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000038827617 174156607 /nfs/dbraw/zinc/15/66/07/174156607.db2.gz PAUUGIUYNYWNGL-GFCCVEGCSA-N 1 0 259.180 3.089 40 0 CGABRO C[C@@H](CCc1ccccc1)[NH2+]CCC(=O)OC(C)(C)C ZINC000047218985 175405189 /nfs/dbraw/zinc/40/51/89/175405189.db2.gz MAHVBFCAXDTMPO-AWEZNQCLSA-N 1 0 277.408 3.329 40 0 CGABRO Clc1ccc(Cl)c(COC[C@@H]2CCC[NH2+]2)c1 ZINC000072203606 176341756 /nfs/dbraw/zinc/34/17/56/176341756.db2.gz CWKMDSDEPXUUQC-NSHDSACASA-N 1 0 260.164 3.262 40 0 CGABRO C[N@@H+]1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358363 176376206 /nfs/dbraw/zinc/37/62/06/176376206.db2.gz QMRVSWBWEAXRTQ-GFCCVEGCSA-N 1 0 271.339 3.092 40 0 CGABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](c2cnccn2)C1 ZINC000072373121 176384610 /nfs/dbraw/zinc/38/46/10/176384610.db2.gz KQWIQVJTWDYNQC-OAHLLOKOSA-N 1 0 297.402 3.173 40 0 CGABRO CC(C)N(C[C@H]1CCC[NH2+]C1)C(=O)OCc1ccccc1 ZINC000079437851 177491040 /nfs/dbraw/zinc/49/10/40/177491040.db2.gz GOVJGIFNWBAZLF-INIZCTEOSA-N 1 0 290.407 3.033 40 0 CGABRO [NH3+]Cc1cc2c(Br)cccc2nc1Cl ZINC000685936975 544109300 /nfs/dbraw/zinc/10/93/00/544109300.db2.gz GJXFSXKYBSNBSA-UHFFFAOYSA-N 1 0 271.545 3.109 40 0 CGABRO Cc1cc(C)nc(NCC[NH2+]Cc2ccc(C(C)C)cc2)n1 ZINC000062717872 262301700 /nfs/dbraw/zinc/30/17/00/262301700.db2.gz CSMVXQFUWQPADX-UHFFFAOYSA-N 1 0 298.434 3.419 40 0 CGABRO O[C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000012647712 265379505 /nfs/dbraw/zinc/37/95/05/265379505.db2.gz FPHQSHFUYFORCS-ROUUACIJSA-N 1 0 267.372 3.385 40 0 CGABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+](CC)CC ZINC000002694474 287789198 /nfs/dbraw/zinc/78/91/98/287789198.db2.gz ILZNGEAPOFFSCE-LSDHHAIUSA-N 1 0 279.424 3.282 40 0 CGABRO CC1CCN([C@H](C[NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000095532278 276199348 /nfs/dbraw/zinc/19/93/48/276199348.db2.gz ZGXAPCFMMRTKNV-CQSZACIVSA-N 1 0 286.341 3.437 40 0 CGABRO Cc1cc(N(C)C)ncc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072218683 301329479 /nfs/dbraw/zinc/32/94/79/301329479.db2.gz WIKLITZEXNAYRP-HNNXBMFYSA-N 1 0 261.413 3.249 40 0 CGABRO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000367466902 527534543 /nfs/dbraw/zinc/53/45/43/527534543.db2.gz DLSXMBKLWCNFFI-GANRHZMWSA-N 1 0 295.430 3.388 40 0 CGABRO CC[NH+](CC)CCCCOc1c(C=O)cccc1OC ZINC000217791941 528100403 /nfs/dbraw/zinc/10/04/03/528100403.db2.gz BLBCYWYWHKZSSR-UHFFFAOYSA-N 1 0 279.380 3.009 40 0 CGABRO Cc1ccc(CN2C[C@H]3c4ccccc4[C@H]([NH+](C)C)[C@H]3C2)o1 ZINC000096058311 185079036 /nfs/dbraw/zinc/07/90/36/185079036.db2.gz PKYYTONHDFTADR-FHWLQOOXSA-N 1 0 296.414 3.420 40 0 CGABRO CCCCc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000096624961 185108197 /nfs/dbraw/zinc/10/81/97/185108197.db2.gz GYRMDZSVWJJURN-UHFFFAOYSA-N 1 0 274.408 3.310 40 0 CGABRO C[NH2+]CCCNc1cc(C)nc2c(Cl)cccc12 ZINC000222687333 529971509 /nfs/dbraw/zinc/97/15/09/529971509.db2.gz QDRCYWROZXHNQV-UHFFFAOYSA-N 1 0 263.772 3.218 40 0 CGABRO C[C@@H]1C[C@@](O)(Cc2cccc3ccccc32)[C@H](C)C[N@@H+]1C ZINC000004474224 344860226 /nfs/dbraw/zinc/86/02/26/344860226.db2.gz NVBSQIZIZBOTAX-SPYBWZPUSA-N 1 0 283.415 3.474 40 0 CGABRO CCCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585289260 346725709 /nfs/dbraw/zinc/72/57/09/346725709.db2.gz GYZIRHMDQIUJOB-ARFHVFGLSA-N 1 0 297.826 3.391 40 0 CGABRO CCC[N@@H+]1CCCC[C@H]1c1cnc(N(C)C)cc1C ZINC000072218699 283322237 /nfs/dbraw/zinc/32/22/37/283322237.db2.gz KJZLPTJXGMBIKV-HNNXBMFYSA-N 1 0 261.413 3.393 40 0 CGABRO Cn1c2ccccc2c2cc([C@@H](O)CC[NH+](C)C)ccc21 ZINC000001597643 368422405 /nfs/dbraw/zinc/42/24/05/368422405.db2.gz YNBJJYAOMKRVPO-SFHVURJKSA-N 1 0 282.387 3.317 40 0 CGABRO CCN(C(=O)C[NH+](CC)CC)c1ccc(C)c(Cl)c1 ZINC000001669877 368428917 /nfs/dbraw/zinc/42/89/17/368428917.db2.gz GSLPBGQDFOXVHD-UHFFFAOYSA-N 1 0 282.815 3.343 40 0 CGABRO Cc1cccc(NC(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000001668123 368428952 /nfs/dbraw/zinc/42/89/52/368428952.db2.gz NNOXTUJBIZGNDQ-UHFFFAOYSA-N 1 0 297.402 3.249 40 0 CGABRO C[NH2+][C@H](Cc1ccccc1)c1cccc(OC)c1OC ZINC000003636364 368516331 /nfs/dbraw/zinc/51/63/31/368516331.db2.gz JTFSNJPJULQHQZ-OAHLLOKOSA-N 1 0 271.360 3.207 40 0 CGABRO C[N@H+]1CC=C(/C=C/c2ccc(Sc3ncccn3)o2)CC1 ZINC000012154295 368605313 /nfs/dbraw/zinc/60/53/13/368605313.db2.gz OJARZUJTTMNBCS-ONEGZZNKSA-N 1 0 299.399 3.496 40 0 CGABRO C[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000016362724 368711660 /nfs/dbraw/zinc/71/16/60/368711660.db2.gz IPCUVJPFBQZXNZ-UHFFFAOYSA-N 1 0 271.360 3.302 40 0 CGABRO Cc1ccccc1C[N@H+](CCO)Cc1cccs1 ZINC000013997393 368672447 /nfs/dbraw/zinc/67/24/47/368672447.db2.gz IVXQBGSRBLWMOP-UHFFFAOYSA-N 1 0 261.390 3.051 40 0 CGABRO Cc1cc2nc(C[NH3+])n(Cc3ccccc3)c2cc1C ZINC000019750874 368762903 /nfs/dbraw/zinc/76/29/03/368762903.db2.gz SHVDZQGCOJWNHH-UHFFFAOYSA-N 1 0 265.360 3.160 40 0 CGABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccccc2)on1 ZINC000019120582 368744031 /nfs/dbraw/zinc/74/40/31/368744031.db2.gz PGVRJSCGBYBXBH-DOTOQJQBSA-N 1 0 270.376 3.484 40 0 CGABRO c1cnc2[nH]c([C@H]3CCCO3)c(C[NH+]3CCCCC3)c2c1 ZINC000019345199 368747941 /nfs/dbraw/zinc/74/79/41/368747941.db2.gz WAJRBEOFRZNFOE-OAHLLOKOSA-N 1 0 285.391 3.400 40 0 CGABRO CCCCOc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000020092422 368800988 /nfs/dbraw/zinc/80/09/88/368800988.db2.gz NEUGDEOKMJTOOO-INIZCTEOSA-N 1 0 263.381 3.134 40 0 CGABRO C[C@@H]([C@H](O)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000024718098 368834204 /nfs/dbraw/zinc/83/42/04/368834204.db2.gz KLNGFIBGXXNTLD-YOEHRIQHSA-N 1 0 255.361 3.241 40 0 CGABRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)c1C ZINC000026780523 368864046 /nfs/dbraw/zinc/86/40/46/368864046.db2.gz ZDVNGNUZRJZLAN-AEFFLSMTSA-N 1 0 299.414 3.394 40 0 CGABRO CCCC[NH2+]CC(=O)Nc1ccccc1N1CCCCC1 ZINC000035311480 369003358 /nfs/dbraw/zinc/00/33/58/369003358.db2.gz YZVLAIADHWAOID-UHFFFAOYSA-N 1 0 289.423 3.005 40 0 CGABRO C[NH2+]CCSCc1c(Cl)cccc1Cl ZINC000036720701 369025822 /nfs/dbraw/zinc/02/58/22/369025822.db2.gz GEXUNJAJUZNCEX-UHFFFAOYSA-N 1 0 250.194 3.446 40 0 CGABRO Clc1ccc(CO[C@H]2CCC[NH2+]C2)cc1Cl ZINC000051787406 369455125 /nfs/dbraw/zinc/45/51/25/369455125.db2.gz ZIUOPCNXBDWNKR-JTQLQIEISA-N 1 0 260.164 3.262 40 0 CGABRO CCCc1ccc(C2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000055241719 369513216 /nfs/dbraw/zinc/51/32/16/369513216.db2.gz HQEHJAUFJFTFEV-UHFFFAOYSA-N 1 0 261.409 3.331 40 0 CGABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215926 369815713 /nfs/dbraw/zinc/81/57/13/369815713.db2.gz XOEXRWPHRNEPHD-INIZCTEOSA-N 1 0 273.424 3.475 40 0 CGABRO CCCC[N@@H+]1CCC[C@H]1c1cnc(N(C)C)cc1C ZINC000072218686 369815790 /nfs/dbraw/zinc/81/57/90/369815790.db2.gz RFGUTEPEQPDFGW-HNNXBMFYSA-N 1 0 261.413 3.393 40 0 CGABRO CCS[C@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000097228473 370235382 /nfs/dbraw/zinc/23/53/82/370235382.db2.gz IXQHBWYEJKCFHZ-MBNYWOFBSA-N 1 0 279.453 3.061 40 0 CGABRO Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2nccs2)ccn1 ZINC000257210171 190012395 /nfs/dbraw/zinc/01/23/95/190012395.db2.gz BTNKOXOIYHYUDG-OAHLLOKOSA-N 1 0 287.432 3.444 40 0 CGABRO CC(C)C(=O)N1CCCC[C@H]2[NH2+][C@@H](c3ccccc3)C[C@@H]21 ZINC000257224891 190015475 /nfs/dbraw/zinc/01/54/75/190015475.db2.gz FDVMFPKQKIVMCG-ZACQAIPSSA-N 1 0 286.419 3.127 40 0 CGABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000257241508 190018919 /nfs/dbraw/zinc/01/89/19/190018919.db2.gz HYGXVRNMHAGONW-CYBMUJFWSA-N 1 0 280.375 3.189 40 0 CGABRO CNc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(C)n2)ccn1 ZINC000257282968 190026581 /nfs/dbraw/zinc/02/65/81/190026581.db2.gz OWCDVFIREMKEND-INIZCTEOSA-N 1 0 282.391 3.164 40 0 CGABRO c1ccc2c(CC3CC[NH+]([C@H]4CCOC4)CC3)ccnc2c1 ZINC000257273439 190024412 /nfs/dbraw/zinc/02/44/12/190024412.db2.gz NGOYWQPIBNRANC-KRWDZBQOSA-N 1 0 296.414 3.278 40 0 CGABRO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC000257273105 190025124 /nfs/dbraw/zinc/02/51/24/190025124.db2.gz NFHHZZCZMDPTLL-ZDUSSCGKSA-N 1 0 259.378 3.184 40 0 CGABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3c[nH]c4ccccc34)C2)n1 ZINC000257293207 190028597 /nfs/dbraw/zinc/02/85/97/190028597.db2.gz QOOCJXAJCUQIQV-CYBMUJFWSA-N 1 0 280.375 3.189 40 0 CGABRO CC(C)n1nccc1-c1cccc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257295944 190028692 /nfs/dbraw/zinc/02/86/92/190028692.db2.gz RANYDLIQHBOCMF-HNNXBMFYSA-N 1 0 270.380 3.293 40 0 CGABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1F ZINC000257329086 190035107 /nfs/dbraw/zinc/03/51/07/190035107.db2.gz XIIILYQGJRDDHV-ZDUSSCGKSA-N 1 0 289.329 3.134 40 0 CGABRO CC(C)[NH+]1CCC(c2ccnc(Nc3ccccn3)n2)CC1 ZINC000257340752 190037059 /nfs/dbraw/zinc/03/70/59/190037059.db2.gz ZHJQEAARXVLNRG-UHFFFAOYSA-N 1 0 297.406 3.203 40 0 CGABRO CC[C@H]([NH2+]CC(C)C)c1ccc(OC)cc1OC ZINC000222635751 376240500 /nfs/dbraw/zinc/24/05/00/376240500.db2.gz IPUONSWHBOFQFZ-AWEZNQCLSA-N 1 0 251.370 3.401 40 0 CGABRO CC[C@@H]([NH2+]CC(C)C)c1ccc(OC)cc1OC ZINC000222635682 376240955 /nfs/dbraw/zinc/24/09/55/376240955.db2.gz IPUONSWHBOFQFZ-CQSZACIVSA-N 1 0 251.370 3.401 40 0 CGABRO Cn1c(C[NH2+]Cc2ccccc2)ccc1Cc1ccco1 ZINC000226021439 376339616 /nfs/dbraw/zinc/33/96/16/376339616.db2.gz DBEWDTNPRCDOKL-UHFFFAOYSA-N 1 0 280.371 3.499 40 0 CGABRO CCc1ccc2oc(-c3ccc[n+](CC)c3)nc2c1 ZINC000226774559 376373710 /nfs/dbraw/zinc/37/37/10/376373710.db2.gz HYMXKHMIXFLDPD-UHFFFAOYSA-N 1 0 253.325 3.365 40 0 CGABRO C[N@@H+]1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257315274 377796658 /nfs/dbraw/zinc/79/66/58/377796658.db2.gz VAPHJIJMLMBMRP-XOUADPBQSA-N 1 0 273.376 3.008 40 0 CGABRO CCOc1cccc(C[NH+]2CCC(C)(OC)CC2)c1 ZINC000272358364 378620058 /nfs/dbraw/zinc/62/00/58/378620058.db2.gz MIZJLEXJCCBKCY-UHFFFAOYSA-N 1 0 263.381 3.086 40 0 CGABRO CC[N@@H+]1CCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216094 285289462 /nfs/dbraw/zinc/28/94/62/285289462.db2.gz LDIARBLEWKFEPN-HNNXBMFYSA-N 1 0 259.397 3.229 40 0 CGABRO Cc1ccc(C(C)C)c(OC[C@@H](O)C[N@H+]2CC=CCC2)c1 ZINC000001668971 391913642 /nfs/dbraw/zinc/91/36/42/391913642.db2.gz DOMNTPJHPATAFO-INIZCTEOSA-N 1 0 289.419 3.120 40 0 CGABRO c1ccc(-c2nccnc2C[C@H]2CCC[NH2+]CC2)cc1 ZINC000072384523 285468611 /nfs/dbraw/zinc/46/86/11/285468611.db2.gz LJUQDOHUKBAUFK-AWEZNQCLSA-N 1 0 267.376 3.076 40 0 CGABRO c1ccc(COc2ccc([C@@H]3CCCC[NH2+]3)cn2)cc1 ZINC000072212031 392197527 /nfs/dbraw/zinc/19/75/27/392197527.db2.gz CMAAQRRMZLBURO-INIZCTEOSA-N 1 0 268.360 3.475 40 0 CGABRO Cc1cc(N2CCCCC2)ncc1[C@H]1CCC[N@H+]1C ZINC000072219206 392200457 /nfs/dbraw/zinc/20/04/57/392200457.db2.gz DXOIDGIHFXEZEH-OAHLLOKOSA-N 1 0 259.397 3.147 40 0 CGABRO Cc1cc(N)ncc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218489 392200510 /nfs/dbraw/zinc/20/05/10/392200510.db2.gz CSLVOZBAPRHDDP-INIZCTEOSA-N 1 0 267.376 3.309 40 0 CGABRO Cc1cc(N2CCCCC2)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223507 392202955 /nfs/dbraw/zinc/20/29/55/392202955.db2.gz FQWFRQZPXNLNGY-GOSISDBHSA-N 1 0 281.403 3.428 40 0 CGABRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]([NH3+])C(C)(C)C)C1 ZINC000072208761 397640158 /nfs/dbraw/zinc/64/01/58/397640158.db2.gz JWFFWWIRWVCUFP-VXGBXAGGSA-N 1 0 270.417 3.007 40 0 CGABRO Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H](C)O)cc1 ZINC000001666299 292202706 /nfs/dbraw/zinc/20/27/06/292202706.db2.gz YOEGRQBPLQTJFF-CRAIPNDOSA-N 1 0 269.388 3.249 40 0 CGABRO C[C@@H](c1cccc(F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246155584 287144098 /nfs/dbraw/zinc/14/40/98/287144098.db2.gz GQJDHYWKCNGXLN-GJZGRUSLSA-N 1 0 276.399 3.304 40 0 CGABRO COc1ccc(OCCC[NH2+]Cc2ccccc2)cc1 ZINC000002555589 169808282 /nfs/dbraw/zinc/80/82/82/169808282.db2.gz RIRYTXDKFVVHKT-UHFFFAOYSA-N 1 0 271.360 3.254 40 0 CGABRO Cc1cccc(CNC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000005066048 170063003 /nfs/dbraw/zinc/06/30/03/170063003.db2.gz YEMUBAQBXKWJSW-UHFFFAOYSA-N 1 0 295.430 3.144 40 0 CGABRO CC(C)(CO)[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000006883167 170252921 /nfs/dbraw/zinc/25/29/21/170252921.db2.gz KAVWAALIDBYGIN-UHFFFAOYSA-N 1 0 279.767 3.461 40 0 CGABRO CCOc1c(Cl)cc(Cl)cc1CNCCC[NH2+]C ZINC000008253416 170327046 /nfs/dbraw/zinc/32/70/46/170327046.db2.gz YYIXNRMDSGPHAM-UHFFFAOYSA-N 1 0 291.222 3.091 40 0 CGABRO COCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000008469228 170336875 /nfs/dbraw/zinc/33/68/75/170336875.db2.gz KTGKHGGWTQVFOW-UHFFFAOYSA-N 1 0 289.350 3.141 40 0 CGABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[NH2+]C1CCCC1)C2 ZINC000009970720 170392371 /nfs/dbraw/zinc/39/23/71/170392371.db2.gz BWWGWNBYWLQPPZ-IIVZCXTMSA-N 1 0 295.467 3.111 40 0 CGABRO C[N@H+](CCc1cn[nH]c1)Cc1ccc(OC2CCCC2)cc1 ZINC000013995609 170614952 /nfs/dbraw/zinc/61/49/52/170614952.db2.gz DILAFVPDBGMBTC-UHFFFAOYSA-N 1 0 299.418 3.406 40 0 CGABRO Cc1ccc2oc([C@H]3CC[N@@H+](C4CCOCC4)C3)nc2c1 ZINC000035446510 172203385 /nfs/dbraw/zinc/20/33/85/172203385.db2.gz UHLOQOKGSHLAPN-ZDUSSCGKSA-N 1 0 286.375 3.105 40 0 biogenic,in-vitro CGABRO CC(C)CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000044790061 175254305 /nfs/dbraw/zinc/25/43/05/175254305.db2.gz ZZIAJJRTNHCODW-QGZVFWFLSA-N 1 0 288.435 3.061 40 0 CGABRO OCC1C[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C1 ZINC000072232668 176344065 /nfs/dbraw/zinc/34/40/65/176344065.db2.gz OFWYWXACEZCAMH-ROUUACIJSA-N 1 0 267.372 3.461 40 0 CGABRO Fc1cccc(OC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000072350998 176373535 /nfs/dbraw/zinc/37/35/35/176373535.db2.gz YSPVSUWBNWCXHJ-UHFFFAOYSA-N 1 0 286.350 3.264 40 0 CGABRO Cc1ccc(-c2cc(C3CC[NH2+]CC3)nc(C)n2)cc1 ZINC000072386739 176391985 /nfs/dbraw/zinc/39/19/85/176391985.db2.gz HLGYSBMIRZIUTN-UHFFFAOYSA-N 1 0 267.376 3.227 40 0 CGABRO Cc1ccccc1-c1cc([C@H]2CCC[NH2+]C2)nc(C)n1 ZINC000072386633 176392054 /nfs/dbraw/zinc/39/20/54/176392054.db2.gz FBEZOBQMERNAPZ-AWEZNQCLSA-N 1 0 267.376 3.227 40 0 CGABRO Cc1ccc(C)c(C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000066067694 260244312 /nfs/dbraw/zinc/24/43/12/260244312.db2.gz OTDHVAMQPDZBBJ-UHFFFAOYSA-N 1 0 288.435 3.155 40 0 CGABRO CC[C@@H]([NH3+])c1ccc(N2CCc3ccccc32)nc1C ZINC000072224994 273721768 /nfs/dbraw/zinc/72/17/68/273721768.db2.gz IQMTUMRQBLYQEZ-OAHLLOKOSA-N 1 0 267.376 3.494 40 0 CGABRO COc1ccc2c(c1)C=C(/C=C/c1cc[n+](C)cc1)CO2 ZINC000005002299 274121724 /nfs/dbraw/zinc/12/17/24/274121724.db2.gz DWNBMCYEHCGDIU-ONEGZZNKSA-N 1 0 280.347 3.009 40 0 CGABRO c1cc([C@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)n[nH]1 ZINC000121287131 275064806 /nfs/dbraw/zinc/06/48/06/275064806.db2.gz RVADREYUHVBPND-AWEZNQCLSA-N 1 0 280.375 3.271 40 0 CGABRO CC(C)(C)C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000040492878 278327079 /nfs/dbraw/zinc/32/70/79/278327079.db2.gz PJNMRNNWNFOFKB-UHFFFAOYSA-N 1 0 270.417 3.022 40 0 CGABRO CC[C@H](O)[C@@](CC[NH+](C)C)(c1ccccc1)c1ccccn1 ZINC000001608629 288117960 /nfs/dbraw/zinc/11/79/60/288117960.db2.gz UTGQILSIZRLVAD-OALUTQOASA-N 1 0 298.430 3.090 40 0 CGABRO Cc1ncc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3[C@H]2c2ccccc2)cn1 ZINC000247923475 334291520 /nfs/dbraw/zinc/29/15/20/334291520.db2.gz AGRNACYLOPFGLV-WJFTUGDTSA-N 1 0 293.414 3.457 40 0 CGABRO CC[NH+](CC)CCOC(=O)C[C@@H](C)c1ccccc1 ZINC000255190202 567110604 /nfs/dbraw/zinc/11/06/04/567110604.db2.gz VPPXECZMBUTPGE-CQSZACIVSA-N 1 0 263.381 3.065 40 0 CGABRO CC(C)[NH2+]CC(O)COc1cccc2ccccc21 ZINC001560406103 937212835 /nfs/dbraw/zinc/21/28/35/937212835.db2.gz SDEZGPCYKKXRIR-UHFFFAOYSA-N 1 0 258.341 3.121 40 0 CGABRO [NH3+][C@@H](Cc1ccccc1)c1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000095534844 185008188 /nfs/dbraw/zinc/00/81/88/185008188.db2.gz YUJOXFMKTKXHPL-AWEZNQCLSA-N 1 0 298.777 3.368 40 0 CGABRO CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccsc1)C2 ZINC000096039314 185069537 /nfs/dbraw/zinc/06/95/37/185069537.db2.gz LAAKIQNSRBQHRA-CVEARBPZSA-N 1 0 295.448 3.156 40 0 CGABRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000128157591 187354541 /nfs/dbraw/zinc/35/45/41/187354541.db2.gz JCSFYSCQPWVAPP-ZIAGYGMSSA-N 1 0 263.381 3.303 40 0 CGABRO COC(=O)[C@@H](c1ccc2ccccc2c1)[C@H]1CCCC[NH2+]1 ZINC000034629656 344940879 /nfs/dbraw/zinc/94/08/79/344940879.db2.gz DNRNSIJBSCBESJ-SJORKVTESA-N 1 0 283.371 3.239 40 0 CGABRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000085391308 179048702 /nfs/dbraw/zinc/04/87/02/179048702.db2.gz PEQRQJNKQFTFMG-KOLCDFICSA-N 1 0 254.171 3.195 40 0 CGABRO C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000585102298 346724707 /nfs/dbraw/zinc/72/47/07/346724707.db2.gz WOFPUJNGCOCGQE-LJQANCHMSA-N 1 0 294.398 3.150 40 0 CGABRO c1ccc(Cc2ccc[n+](Cc3ccccn3)c2)cc1 ZINC000000028249 368271266 /nfs/dbraw/zinc/27/12/66/368271266.db2.gz GDCLGTAJWOHWMA-UHFFFAOYSA-N 1 0 261.348 3.008 40 0 CGABRO COc1ccc(C[n+]2ccc3ccccc3c2)cc1 ZINC000001585523 368421107 /nfs/dbraw/zinc/42/11/07/368421107.db2.gz DIQVFMJRRFFVMQ-UHFFFAOYSA-N 1 0 250.321 3.184 40 0 CGABRO C[NH2+]CCO[C@H](c1ccccc1)c1ccccc1C ZINC000002018845 368443128 /nfs/dbraw/zinc/44/31/28/368443128.db2.gz PNYKGCPSFKLFKA-QGZVFWFLSA-N 1 0 255.361 3.320 40 0 world CGABRO CC[C@@H]1C[C@H](CNC(=O)OCC[NH+](CC)CC)C1(C)C ZINC000004191301 368535172 /nfs/dbraw/zinc/53/51/72/368535172.db2.gz CZZWABSJFGCIPD-ZIAGYGMSSA-N 1 0 284.444 3.127 40 0 CGABRO CC[N@H+](C[C@@H](O)COc1ccccc1C)C1CCCCC1 ZINC000016758593 368721462 /nfs/dbraw/zinc/72/14/62/368721462.db2.gz JZFIWEOJQARWKY-QGZVFWFLSA-N 1 0 291.435 3.389 40 0 CGABRO CO[C@@H]1CCCC[C@H]1OC(=O)C[N@H+](C)C1CCCCCC1 ZINC000017703791 368733649 /nfs/dbraw/zinc/73/36/49/368733649.db2.gz OZYVLMYWJFRCQM-HZPDHXFCSA-N 1 0 297.439 3.142 40 0 CGABRO c1c2cccnc2[nH]c1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019346915 368748926 /nfs/dbraw/zinc/74/89/26/368748926.db2.gz HZSACAQHSUAIAE-MRXNPFEDSA-N 1 0 292.386 3.338 40 0 CGABRO [NH3+]Cc1c[nH]c2cc(COCc3ccccc3)ccc12 ZINC000026896613 368864934 /nfs/dbraw/zinc/86/49/34/368864934.db2.gz SSPCPCHKYAXDGE-UHFFFAOYSA-N 1 0 266.344 3.343 40 0 CGABRO CCC[NH2+]Cc1ccc(O[C@H](C)CC)c(OC)c1 ZINC000034817014 368979735 /nfs/dbraw/zinc/97/97/35/368979735.db2.gz PAWGOYJOXDZXMC-GFCCVEGCSA-N 1 0 251.370 3.372 40 0 CGABRO Clc1cccc(Cl)c1COC1CC[NH2+]CC1 ZINC000031839932 368919257 /nfs/dbraw/zinc/91/92/57/368919257.db2.gz XQGZIIVKGVECKR-UHFFFAOYSA-N 1 0 260.164 3.262 40 0 CGABRO Fc1ccc2[nH]c([C@H]3CC[N@@H+](C4CCC4)C3)nc2c1 ZINC000035446596 369002642 /nfs/dbraw/zinc/00/26/42/369002642.db2.gz YVTGQHMXISXVDB-JTQLQIEISA-N 1 0 259.328 3.044 40 0 biogenic,in-vitro CGABRO C[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000036720696 369025404 /nfs/dbraw/zinc/02/54/04/369025404.db2.gz WILJCJRSSXMARK-UHFFFAOYSA-N 1 0 250.194 3.446 40 0 CGABRO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000046960057 369301204 /nfs/dbraw/zinc/30/12/04/369301204.db2.gz WGYNEWDWBQAFCM-CQSZACIVSA-N 1 0 288.435 3.155 40 0 CGABRO c1coc(-c2nnc([C@H]3CC[N@@H+](C4CCCCC4)C3)o2)c1 ZINC000049169478 369390845 /nfs/dbraw/zinc/39/08/45/369390845.db2.gz QTLJMKUDPZISHE-LBPRGKRZSA-N 1 0 287.363 3.452 40 0 biogenic,in-vitro CGABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(C(C)(C)C)o3)C2)o1 ZINC000049170645 369390979 /nfs/dbraw/zinc/39/09/79/369390979.db2.gz GXKHJLUEQTVRAZ-LBPRGKRZSA-N 1 0 289.379 3.258 40 0 biogenic,in-vitro CGABRO Clc1cccc(Cl)c1CO[C@@H]1CCC[NH2+]C1 ZINC000051787328 369454723 /nfs/dbraw/zinc/45/47/23/369454723.db2.gz QWJFAUZWPAPOPK-SECBINFHSA-N 1 0 260.164 3.262 40 0 CGABRO FC(F)(F)c1cnc(OC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000051883144 369456334 /nfs/dbraw/zinc/45/63/34/369456334.db2.gz IKTCYVQMIWUBSG-QMMMGPOBSA-N 1 0 294.704 3.132 40 0 CGABRO COc1ccc(-c2cc(C[C@@H]3C[C@H]([NH3+])C3(C)C)no2)cc1 ZINC000067890053 369734820 /nfs/dbraw/zinc/73/48/20/369734820.db2.gz CPUIAIZOOPBRME-WBMJQRKESA-N 1 0 286.375 3.266 40 0 biogenic,in-vitro CGABRO OC[C@@H](c1ccccc1C(F)(F)F)[NH+]1CCCCC1 ZINC000070453366 369799824 /nfs/dbraw/zinc/79/98/24/369799824.db2.gz BMYZSBLARQQXQX-ZDUSSCGKSA-N 1 0 273.298 3.225 40 0 CGABRO C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000074713452 369886650 /nfs/dbraw/zinc/88/66/50/369886650.db2.gz MPXPHPBRMXXSFU-UHFFFAOYSA-N 1 0 287.190 3.274 40 0 CGABRO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079620975 369973188 /nfs/dbraw/zinc/97/31/88/369973188.db2.gz YPTUKDMLIHJEST-HNNXBMFYSA-N 1 0 288.435 3.059 40 0 CGABRO Brc1ccc2[nH]cc(CC[NH2+]CC3CC3)c2c1 ZINC000095097454 370176085 /nfs/dbraw/zinc/17/60/85/370176085.db2.gz XLDAFYOWRRDJMH-UHFFFAOYSA-N 1 0 293.208 3.473 40 0 CGABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[C@@]21CC[NH2+]1 ZINC000306145567 374128080 /nfs/dbraw/zinc/12/80/80/374128080.db2.gz IRFFMHGBGDBCDC-INIZCTEOSA-N 1 0 290.363 3.005 40 0 CGABRO CC(C)n1nccc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000256052857 190004628 /nfs/dbraw/zinc/00/46/28/190004628.db2.gz OYFADAWKBTUXSD-UHFFFAOYSA-N 1 0 265.307 3.032 40 0 CGABRO Clc1cccc(-c2nccc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000257197721 190010026 /nfs/dbraw/zinc/01/00/26/190010026.db2.gz HIHVNCJKJRHQDC-LBPRGKRZSA-N 1 0 259.740 3.222 40 0 CGABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000257200966 190010631 /nfs/dbraw/zinc/01/06/31/190010631.db2.gz AFNZXEDPAGBDKG-CQSZACIVSA-N 1 0 280.375 3.189 40 0 CGABRO CNc1ncccc1C[N@@H+]1CCC[C@H]1CCc1ccncc1 ZINC000257233966 190016694 /nfs/dbraw/zinc/01/66/94/190016694.db2.gz GRNMOMBULFGJCG-KRWDZBQOSA-N 1 0 296.418 3.116 40 0 CGABRO Cc1nc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)sc1C ZINC000257245984 190019432 /nfs/dbraw/zinc/01/94/32/190019432.db2.gz IRYWPJDCCQKVKZ-GFCCVEGCSA-N 1 0 273.405 3.289 40 0 CGABRO CC(C)n1nccc1-c1cc(C[C@H]2CC[N@H+](C)C2)ccn1 ZINC000257256301 190021696 /nfs/dbraw/zinc/02/16/96/190021696.db2.gz KKWJFANHRBKTNY-OAHLLOKOSA-N 1 0 284.407 3.020 40 0 CGABRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000257318145 190032791 /nfs/dbraw/zinc/03/27/91/190032791.db2.gz VMRMFPPMOFTHDU-AWEZNQCLSA-N 1 0 287.794 3.428 40 0 CGABRO c1ccc(C[N@H+]2CCC[C@@H]2CCc2ccncc2)nc1 ZINC000257333848 190035319 /nfs/dbraw/zinc/03/53/19/190035319.db2.gz YDIXZXDYQQOEKS-QGZVFWFLSA-N 1 0 267.376 3.074 40 0 CGABRO Cc1cc(N)c(NC(=O)C(C)C)cc1N1CCC(C)CC1 ZINC000216864950 376168355 /nfs/dbraw/zinc/16/83/55/376168355.db2.gz DFQKCMMNVHJPDK-UHFFFAOYSA-N 1 0 289.423 3.408 40 0 CGABRO CCC(=O)Nc1cc(N2CCC[C@H](C)C2)c(C)cc1N ZINC000216864751 376168625 /nfs/dbraw/zinc/16/86/25/376168625.db2.gz SEEBRIYDRYXJAW-NSHDSACASA-N 1 0 275.396 3.162 40 0 CGABRO COCCC[NH2+]Cc1cccn1C1CCCCC1 ZINC000223690558 376258961 /nfs/dbraw/zinc/25/89/61/376258961.db2.gz JZJLWBUKTXEINL-UHFFFAOYSA-N 1 0 250.386 3.119 40 0 CGABRO COCCC[NH2+]Cc1cccn1-c1cccc(Cl)c1 ZINC000223685140 376259465 /nfs/dbraw/zinc/25/94/65/376259465.db2.gz RYEVJCFSMUZCJM-UHFFFAOYSA-N 1 0 278.783 3.257 40 0 CGABRO CC[C@@H](C)Oc1ccc2c(c1)c(C[NH2+]C)c(C)n2C ZINC000223760311 376262840 /nfs/dbraw/zinc/26/28/40/376262840.db2.gz HFZPQPXCISHFAC-LLVKDONJSA-N 1 0 260.381 3.383 40 0 CGABRO Cn1c(C[NH2+]C2CCCC2)ccc1Cc1ccco1 ZINC000226021419 376338752 /nfs/dbraw/zinc/33/87/52/376338752.db2.gz PAJUGRJXLCYEHW-UHFFFAOYSA-N 1 0 258.365 3.241 40 0 CGABRO COCC[NH2+][C@H](C)c1cccc(OCC(C)C)c1 ZINC000225166377 376296926 /nfs/dbraw/zinc/29/69/26/376296926.db2.gz LNDOANFGPHDOOL-CYBMUJFWSA-N 1 0 251.370 3.018 40 0 CGABRO CC(C)[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000225205429 376298217 /nfs/dbraw/zinc/29/82/17/376298217.db2.gz JHQDKDMQLDRIKF-OAHLLOKOSA-N 1 0 288.435 3.447 40 0 CGABRO CC[C@H]([NH3+])c1cnc(NCc2ccccc2)c(C)c1 ZINC000072222337 256706016 /nfs/dbraw/zinc/70/60/16/256706016.db2.gz QKSLSOCQDYXSGX-HNNXBMFYSA-N 1 0 255.365 3.412 40 0 CGABRO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](C(C)C)C3)o2)cc1 ZINC000049169964 392037818 /nfs/dbraw/zinc/03/78/18/392037818.db2.gz RBAUKXCROXYBDZ-AWEZNQCLSA-N 1 0 271.364 3.243 40 0 biogenic,in-vitro CGABRO CSc1ncc(C[NH2+]C2CCCCCCC2)cn1 ZINC000062717237 392133196 /nfs/dbraw/zinc/13/31/96/392133196.db2.gz VGWNKYNDZFQJOV-UHFFFAOYSA-N 1 0 265.426 3.401 40 0 CGABRO CCCCCCn1cc(-c2nc(C[NH3+])cs2)cn1 ZINC000095093940 392242712 /nfs/dbraw/zinc/24/27/12/392242712.db2.gz MBSZXFQIPJKRBK-UHFFFAOYSA-N 1 0 264.398 3.046 40 0 CGABRO Cc1nc(N(C)C)ccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072218743 392200396 /nfs/dbraw/zinc/20/03/96/392200396.db2.gz CEFLFJHFGLFQSJ-HNNXBMFYSA-N 1 0 261.413 3.249 40 0 CGABRO Cc1cc(N(C)Cc2ccccc2)ncc1[C@H](C)[NH3+] ZINC000072223402 392202928 /nfs/dbraw/zinc/20/29/28/392202928.db2.gz UHWNKYWEROBDHF-ZDUSSCGKSA-N 1 0 255.365 3.046 40 0 CGABRO Cc1nc(NC2CC2)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224862 392204226 /nfs/dbraw/zinc/20/42/26/392204226.db2.gz QAMFOFOOKPNBKS-MRXNPFEDSA-N 1 0 253.349 3.012 40 0 CGABRO CC(C)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082323566 392222941 /nfs/dbraw/zinc/22/29/41/392222941.db2.gz MQNJQZYNBLURAB-CYBMUJFWSA-N 1 0 260.381 3.090 40 0 CGABRO Clc1ccc(-c2n[nH]c3c2[C@H]2CC[C@@H](C3)[NH2+]2)cc1 ZINC000096510280 392257428 /nfs/dbraw/zinc/25/74/28/392257428.db2.gz RQSBTHSLIKFWFM-WDEREUQCSA-N 1 0 259.740 3.079 40 0 CGABRO CC(C)[NH2+][C@@H]1CCN(C)Cc2ccc(Cl)cc21 ZINC000096510454 392257472 /nfs/dbraw/zinc/25/74/72/392257472.db2.gz MTNYLGNORUWNLE-CQSZACIVSA-N 1 0 252.789 3.215 40 0 CGABRO CCC[C@@H]([NH3+])CN(Cc1ccco1)C1CCCC1 ZINC000096523974 392257809 /nfs/dbraw/zinc/25/78/09/392257809.db2.gz MTZAMMGGESGAKY-CYBMUJFWSA-N 1 0 250.386 3.152 40 0 CGABRO CCNc1nc(N2CCc3ccccc3C2)cc(C(C)C)[nH+]1 ZINC000329063972 392679008 /nfs/dbraw/zinc/67/90/08/392679008.db2.gz XGZHBPWFZBTNSP-UHFFFAOYSA-N 1 0 296.418 3.016 40 0 CGABRO CC(C)CC(=O)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2CC1CC1 ZINC000257266659 393135984 /nfs/dbraw/zinc/13/59/84/393135984.db2.gz MDYLFQRKEKXAKT-IAGOWNOFSA-N 1 0 292.467 3.288 40 0 CGABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1cc[n+](C)cc1 ZINC000005496296 170104282 /nfs/dbraw/zinc/10/42/82/170104282.db2.gz IMVRZOOWTJNONJ-CWRNSKLLSA-N 1 0 276.400 3.129 40 0 CGABRO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1F ZINC000006363788 170195382 /nfs/dbraw/zinc/19/53/82/170195382.db2.gz BRYFDRYMLBBWKJ-ZDUSSCGKSA-N 1 0 297.414 3.370 40 0 CGABRO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+]CC(C)C ZINC000006520518 170209140 /nfs/dbraw/zinc/20/91/40/170209140.db2.gz HAACJDGALSSNNZ-LLVKDONJSA-N 1 0 268.788 3.221 40 0 CGABRO COC(=O)c1ccc(-c2ccc(C[NH2+]CC(C)C)o2)cc1 ZINC000006883626 170252612 /nfs/dbraw/zinc/25/26/12/170252612.db2.gz SYTLIQOZLONGPD-UHFFFAOYSA-N 1 0 287.359 3.479 40 0 CGABRO CC[C@@H]1CCCC[N@@H+]1CCOc1ccc(C=O)cc1 ZINC000020131540 171020248 /nfs/dbraw/zinc/02/02/48/171020248.db2.gz RAPRUKAIXIUSDA-OAHLLOKOSA-N 1 0 261.365 3.142 40 0 CGABRO CC[C@@H]1CCCC[N@@H+]1CCOc1ccc(C=O)cc1OC ZINC000020131561 171020266 /nfs/dbraw/zinc/02/02/66/171020266.db2.gz NJGDWSPTZNZAOS-OAHLLOKOSA-N 1 0 291.391 3.151 40 0 CGABRO CC(C)(C)[NH2+]CC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000022001956 171348137 /nfs/dbraw/zinc/34/81/37/171348137.db2.gz QWIQLKPBFDBNMD-UHFFFAOYSA-N 1 0 275.179 3.146 40 0 in-vitro CGABRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038859245 174158363 /nfs/dbraw/zinc/15/83/63/174158363.db2.gz XTPOZRGMFGQZBX-NVXWUHKLSA-N 1 0 288.435 3.203 40 0 CGABRO CCOC(=O)C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000038879634 174158863 /nfs/dbraw/zinc/15/88/63/174158863.db2.gz NGMZCGXHFZXPNM-ALOPSCKCSA-N 1 0 287.403 3.383 40 0 CGABRO C[NH+](C)CC/C=C\C(O)(c1ccccc1)c1ccccc1 ZINC000071260639 176096235 /nfs/dbraw/zinc/09/62/35/176096235.db2.gz OICUGNRAGXLEJP-DHDCSXOGSA-N 1 0 281.399 3.430 40 0 CGABRO CN(Cc1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000072203588 176341640 /nfs/dbraw/zinc/34/16/40/176341640.db2.gz BHVAAMLMMCZZRH-GFCCVEGCSA-N 1 0 273.207 3.177 40 0 CGABRO CC(C)[C@H]1CC[C@](C)(O)[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000072266170 176352147 /nfs/dbraw/zinc/35/21/47/176352147.db2.gz HNUCWFATZMCDDC-ULQDDVLXSA-N 1 0 261.409 3.352 40 0 CGABRO Clc1cccc(-c2nccnc2[C@H]2CCC[NH2+]C2)c1 ZINC000072356385 176375657 /nfs/dbraw/zinc/37/56/57/176375657.db2.gz UEXYZAPGKHUBSM-LBPRGKRZSA-N 1 0 273.767 3.264 40 0 CGABRO Cc1cc(N(C)C)cc([C@H]2CCCN2Cc2ccncc2)[nH+]1 ZINC000072363804 176378246 /nfs/dbraw/zinc/37/82/46/176378246.db2.gz WTKRAFHBSYCESU-GOSISDBHSA-N 1 0 296.418 3.188 40 0 CGABRO Fc1cccc(CNc2cccc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000072365074 176380132 /nfs/dbraw/zinc/38/01/32/176380132.db2.gz DFQXPGZQAYWWAO-CQSZACIVSA-N 1 0 285.366 3.300 40 0 CGABRO Cc1nc(-c2ccc(F)cc2)cc(C2CC[NH2+]CC2)n1 ZINC000072384544 176388646 /nfs/dbraw/zinc/38/86/46/176388646.db2.gz BYLMXLRQVQFDKE-UHFFFAOYSA-N 1 0 271.339 3.058 40 0 CGABRO Fc1ccc(-c2cccc([C@H]3CCC[NH2+]3)n2)cc1F ZINC000072386769 176391963 /nfs/dbraw/zinc/39/19/63/176391963.db2.gz AMNRMWGTZBMIMT-CQSZACIVSA-N 1 0 260.287 3.451 40 0 CGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(Cl)cc1)C(C)C ZINC000079420420 177487128 /nfs/dbraw/zinc/48/71/28/177487128.db2.gz OHZJDCFWJHRQRN-AWEZNQCLSA-N 1 0 282.815 3.060 40 0 CGABRO COc1ccc([C@H]2C[NH2+]Cc3ccccc3C2)cc1 ZINC000096524362 274117948 /nfs/dbraw/zinc/11/79/48/274117948.db2.gz PSWHVGGLGKTPQT-MRXNPFEDSA-N 1 0 253.345 3.125 40 0 CGABRO C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000023480220 275393434 /nfs/dbraw/zinc/39/34/34/275393434.db2.gz QHYOXODERCRGTD-TVFCKZIOSA-N 1 0 276.468 3.230 40 0 CGABRO C[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216116 277045401 /nfs/dbraw/zinc/04/54/01/277045401.db2.gz JWFXCMCTMMMFFT-OAHLLOKOSA-N 1 0 259.397 3.229 40 0 CGABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@@H](O)C[NH+]1CCCCC1)C2 ZINC000005903173 281541818 /nfs/dbraw/zinc/54/18/18/281541818.db2.gz KEELYYKHJSSOCT-LISAXSMJSA-N 1 0 295.467 3.065 40 0 CGABRO NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257230049 327127339 /nfs/dbraw/zinc/12/73/39/327127339.db2.gz GAOLYLHFFYVQNS-XYPYZODXSA-N 1 0 288.416 3.233 40 0 CGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)NC1CCCCC1 ZINC000225756796 567955128 /nfs/dbraw/zinc/95/51/28/567955128.db2.gz GFJKZIOTIAXNQX-INIZCTEOSA-N 1 0 295.471 3.273 40 0 CGABRO Cc1ccc(NC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1C ZINC000013964186 640971366 /nfs/dbraw/zinc/97/13/66/640971366.db2.gz BMQYNJGQHUCHOZ-HNNXBMFYSA-N 1 0 289.423 3.299 40 0 CGABRO Cc1ccc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)o1 ZINC000096049297 185072325 /nfs/dbraw/zinc/07/23/25/185072325.db2.gz FGZMUAVSNPCWAA-UHFFFAOYSA-N 1 0 288.435 3.428 40 0 CGABRO Cc1cc(C[NH2+]C2(C)CCC(F)(F)CC2)ccn1 ZINC000623489566 349819134 /nfs/dbraw/zinc/81/91/34/349819134.db2.gz GNFRQIFWMDPABB-UHFFFAOYSA-N 1 0 254.324 3.448 40 0 CGABRO COCC[C@H]1Cn2cccc2C[N@H+](Cc2ccc(C)o2)C1 ZINC000585094654 346724553 /nfs/dbraw/zinc/72/45/53/346724553.db2.gz NGQJLOZRLFGLAV-OAHLLOKOSA-N 1 0 288.391 3.058 40 0 CGABRO C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000008700337 295866185 /nfs/dbraw/zinc/86/61/85/295866185.db2.gz CCZUYJZXWSXNJJ-ZDUSSCGKSA-N 1 0 278.396 3.080 40 0 CGABRO CCC[N@@H+]1CCCC[C@@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218638 283321482 /nfs/dbraw/zinc/32/14/82/283321482.db2.gz SARUFQROCWEPON-OAHLLOKOSA-N 1 0 261.413 3.393 40 0 CGABRO [NH3+]C[C@H]1CCCCN1Cc1c(Cl)cccc1Cl ZINC000020595610 283499988 /nfs/dbraw/zinc/49/99/88/283499988.db2.gz WSBCMOXOHCWALC-SNVBAGLBSA-N 1 0 273.207 3.307 40 0 CGABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(F)c1 ZINC000120209996 370748579 /nfs/dbraw/zinc/74/85/79/370748579.db2.gz NQLRAUXKDLGZMM-GFCCVEGCSA-N 1 0 277.318 3.068 40 0 CGABRO C[C@H]([NH2+]CCC(=O)C1CCCCC1)[C@H](O)c1ccccc1 ZINC000001999497 368443297 /nfs/dbraw/zinc/44/32/97/368443297.db2.gz UEELVIXXTBPOCF-KSSFIOAISA-N 1 0 289.419 3.238 40 0 in-man CGABRO CCC(CC)[NH2+]CCNc1cc(OC)cc2cccnc21 ZINC000001687526 368431842 /nfs/dbraw/zinc/43/18/42/368431842.db2.gz WZSVEOXWOQADMM-UHFFFAOYSA-N 1 0 287.407 3.434 40 0 CGABRO CC(C)[NH2+]C[C@H](O)COc1ccccc1C1CCCCC1 ZINC000001869701 368440156 /nfs/dbraw/zinc/44/01/56/368440156.db2.gz ABXHHEZNIJUQFM-INIZCTEOSA-N 1 0 291.435 3.472 40 0 in-man CGABRO Cc1cccc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1C ZINC000004304995 368542382 /nfs/dbraw/zinc/54/23/82/368542382.db2.gz OGZIHNLLDVLFQT-ZOBUZTSGSA-N 1 0 291.435 3.306 40 0 CGABRO CC(C)(C)OC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000012357234 368609354 /nfs/dbraw/zinc/60/93/54/368609354.db2.gz PXZWEXYHJVPBJP-OAHLLOKOSA-N 1 0 286.375 3.364 40 0 CGABRO c1cc2c(cccc2C[NH2+]C2Cc3ccccc3C2)[nH]1 ZINC000015423541 368694619 /nfs/dbraw/zinc/69/46/19/368694619.db2.gz ZLVJZLDJDHIPHM-UHFFFAOYSA-N 1 0 262.356 3.425 40 0 CGABRO C[NH2+]CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000016477712 368713754 /nfs/dbraw/zinc/71/37/54/368713754.db2.gz VWKLLWKCGFZTNJ-UHFFFAOYSA-N 1 0 290.750 3.290 40 0 CGABRO [NH3+][C@@H](c1ccc(O)cc1)c1cccc(Br)c1 ZINC000016697350 368720113 /nfs/dbraw/zinc/72/01/13/368720113.db2.gz QEYJAQHOURMNGR-ZDUSSCGKSA-N 1 0 278.149 3.203 40 0 CGABRO c1ccc(C[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000016951377 368722614 /nfs/dbraw/zinc/72/26/14/368722614.db2.gz PDANPYHTZOQZAR-SFHVURJKSA-N 1 0 267.372 3.303 40 0 CGABRO CC[NH+](CC)CCC1OC(=O)N=C1c1ccc(F)cc1 ZINC000031601239 368915229 /nfs/dbraw/zinc/91/52/29/368915229.db2.gz RRKXWTIXDRQLHE-UHFFFAOYSA-N 1 0 278.327 3.071 40 0 in-man CGABRO C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000036469016 369022591 /nfs/dbraw/zinc/02/25/91/369022591.db2.gz KFAMNTQTTWGVAG-UHFFFAOYSA-N 1 0 273.207 3.177 40 0 CGABRO CCC[NH+](CCC)Cc1ccc(C(=O)OC(C)C)o1 ZINC000037625081 369093656 /nfs/dbraw/zinc/09/36/56/369093656.db2.gz SJQNOSLFUYHXAY-UHFFFAOYSA-N 1 0 267.369 3.467 40 0 CGABRO CC[N@H+]1CC=C(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000073636237 369863013 /nfs/dbraw/zinc/86/30/13/369863013.db2.gz ATMDZLROVJWCJZ-UHFFFAOYSA-N 1 0 261.756 3.325 40 0 CGABRO CCc1cccc(CC)c1NC(=O)C1CC[NH+](C)CC1 ZINC000082323813 370002255 /nfs/dbraw/zinc/00/22/55/370002255.db2.gz SXMCKJGVLZCWLS-UHFFFAOYSA-N 1 0 274.408 3.092 40 0 CGABRO [NH3+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCCCC1 ZINC000095532266 370201640 /nfs/dbraw/zinc/20/16/40/370201640.db2.gz XHNASWXECKUESZ-ZDUSSCGKSA-N 1 0 272.314 3.191 40 0 CGABRO Cc1cn(C)c([C@H]2CC[N@H+](Cc3sccc3C)C2)n1 ZINC000257199779 190010868 /nfs/dbraw/zinc/01/08/68/190010868.db2.gz AAUCCQACEDNEHL-ZDUSSCGKSA-N 1 0 275.421 3.088 40 0 CGABRO CC(C)n1nccc1-c1cccc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000257214586 190013074 /nfs/dbraw/zinc/01/30/74/190013074.db2.gz CMOARKOIDLTJDJ-CQSZACIVSA-N 1 0 284.407 3.335 40 0 CGABRO Cc1nccc([C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)n1 ZINC000257248163 190019879 /nfs/dbraw/zinc/01/98/79/190019879.db2.gz JCKBHPVZPCODGC-MRXNPFEDSA-N 1 0 299.393 3.346 40 0 CGABRO Cc1cc(CN2CCC[C@@H](c3ncc(C)s3)C2)no1 ZINC000257300999 190029310 /nfs/dbraw/zinc/02/93/10/190029310.db2.gz RWMXNQXZUHBZGN-GFCCVEGCSA-N 1 0 277.393 3.128 40 0 CGABRO COc1ccc(-c2nccnc2C[C@H]2CCC[NH2+]CC2)cc1 ZINC000257320633 190033286 /nfs/dbraw/zinc/03/32/86/190033286.db2.gz VXRFJJSUNITYNV-AWEZNQCLSA-N 1 0 297.402 3.084 40 0 CGABRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1F ZINC000193859446 375930213 /nfs/dbraw/zinc/93/02/13/375930213.db2.gz DFMONPQVSZDGDI-LLVKDONJSA-N 1 0 277.318 3.068 40 0 CGABRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC000217782393 376180127 /nfs/dbraw/zinc/18/01/27/376180127.db2.gz CQXSLHLPNXBOTN-DZGCQCFKSA-N 1 0 290.407 3.252 40 0 CGABRO COCCC[NH2+][C@H](C)c1ccccc1OCC(C)C ZINC000225161597 376297113 /nfs/dbraw/zinc/29/71/13/376297113.db2.gz CQXPHWKUOJNBSB-CQSZACIVSA-N 1 0 265.397 3.409 40 0 CGABRO Cc1cc(-c2cc(C)nc([C@@H]3CCCC[N@H+]3C(C)C)n2)n[nH]1 ZINC000257343640 377795944 /nfs/dbraw/zinc/79/59/44/377795944.db2.gz ZTVMCANJNXOODH-INIZCTEOSA-N 1 0 299.422 3.419 40 0 CGABRO Cc1cnc(C2(C)CCN(c3cc(C)ncn3)CC2)s1 ZINC000257302590 377796768 /nfs/dbraw/zinc/79/67/68/377796768.db2.gz SDMNXMCCDQESJN-UHFFFAOYSA-N 1 0 288.420 3.108 40 0 CGABRO Clc1ccc([C@H](c2cccs2)N2CC[NH2+]CC2)cc1 ZINC000019370444 184534334 /nfs/dbraw/zinc/53/43/34/184534334.db2.gz XKZGRQBMNSEMGC-OAHLLOKOSA-N 1 0 292.835 3.396 40 0 CGABRO CC(C)COC1CC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096159306 256813103 /nfs/dbraw/zinc/81/31/03/256813103.db2.gz HAWUDEBABUBBAW-UHFFFAOYSA-N 1 0 288.435 3.499 40 0 CGABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000003864473 391919076 /nfs/dbraw/zinc/91/90/76/391919076.db2.gz URMJPEDTGXJUMD-XUWVNRHRSA-N 1 0 285.472 3.213 40 0 CGABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1cccc[n+]1C ZINC000005551434 391923200 /nfs/dbraw/zinc/92/32/00/391923200.db2.gz FTBJIIUZEXIUOF-SQWLQELKSA-N 1 0 276.400 3.129 40 0 CGABRO CSc1ncc(C[NH2+][C@H](C)c2ccccc2)cn1 ZINC000062717202 392133215 /nfs/dbraw/zinc/13/32/15/392133215.db2.gz IJEIRKLTHQTXOL-LLVKDONJSA-N 1 0 259.378 3.049 40 0 CGABRO C[NH2+][C@@H](c1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072207638 392195345 /nfs/dbraw/zinc/19/53/45/392195345.db2.gz LVCAAGRDHHKLEF-GJZGRUSLSA-N 1 0 292.423 3.496 40 0 CGABRO CC(C)N(c1ccc([C@@H]2CCC[N@@H+]2C)cn1)C(C)C ZINC000072212941 392198746 /nfs/dbraw/zinc/19/87/46/392198746.db2.gz JQXDYZLZPOGTLJ-HNNXBMFYSA-N 1 0 261.413 3.472 40 0 CGABRO [NH3+]CCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000072221174 392201943 /nfs/dbraw/zinc/20/19/43/392201943.db2.gz CSPQQEWTPLVKHO-UHFFFAOYSA-N 1 0 263.344 3.041 40 0 CGABRO CCN(CC)c1ccc([C@H]([NH3+])c2ccccc2)c(C)n1 ZINC000072224312 392203237 /nfs/dbraw/zinc/20/32/37/392203237.db2.gz LOMHFHVNLCMWDC-QGZVFWFLSA-N 1 0 269.392 3.284 40 0 CGABRO CC(C)N(Cc1cc(Cl)ccc1Cl)C(=O)[C@H](C)[NH3+] ZINC000079420298 392220434 /nfs/dbraw/zinc/22/04/34/392220434.db2.gz HZYPYHMBGZWCAH-VIFPVBQESA-N 1 0 289.206 3.078 40 0 CGABRO CCCN(Cc1ccco1)CC1([NH3+])CCCCC1 ZINC000096523882 392257729 /nfs/dbraw/zinc/25/77/29/392257729.db2.gz OMAVWLWZWJFDHF-UHFFFAOYSA-N 1 0 250.386 3.153 40 0 CGABRO COCCC[NH2+]Cc1cccn1-c1ccc(Cl)cc1 ZINC000113704145 392384893 /nfs/dbraw/zinc/38/48/93/392384893.db2.gz OXBUNLCMIDVHBP-UHFFFAOYSA-N 1 0 278.783 3.257 40 0 CGABRO CCOc1ccc(Cl)cc1-c1noc([C@@H]2CCC[NH2+]2)n1 ZINC000072209125 397640171 /nfs/dbraw/zinc/64/01/71/397640171.db2.gz LFCZCKNFRHPTNB-NSHDSACASA-N 1 0 293.754 3.213 40 0 CGABRO Cc1cc(C)c(C)c(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000004305190 169956128 /nfs/dbraw/zinc/95/61/28/169956128.db2.gz MHQHXWOLORAPPZ-KRWDZBQOSA-N 1 0 291.435 3.228 40 0 CGABRO CCC[NH2+]Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000007262317 170274466 /nfs/dbraw/zinc/27/44/66/170274466.db2.gz KNMYKVDWGLMVGQ-UHFFFAOYSA-N 1 0 257.761 3.247 40 0 CGABRO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1OC ZINC000008254362 170327333 /nfs/dbraw/zinc/32/73/33/170327333.db2.gz FSJMLJQFRDWDPT-UHFFFAOYSA-N 1 0 271.360 3.384 40 0 CGABRO CCN(CC)C(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000030757029 171622699 /nfs/dbraw/zinc/62/26/99/171622699.db2.gz XDNQAJCJECXHDJ-OAHLLOKOSA-N 1 0 288.435 3.401 40 0 CGABRO CC(C)CNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000037547526 173264708 /nfs/dbraw/zinc/26/47/08/173264708.db2.gz IONQYHQPEMCTRL-UHFFFAOYSA-N 1 0 288.435 3.304 40 0 CGABRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000044137728 175146073 /nfs/dbraw/zinc/14/60/73/175146073.db2.gz CAAZPJWHENFKCC-OAHLLOKOSA-N 1 0 290.407 3.128 40 0 CGABRO Fc1ccccc1Cc1cccc(C2CC[NH2+]CC2)n1 ZINC000072356413 176375809 /nfs/dbraw/zinc/37/58/09/176375809.db2.gz IGYGAZSMMAYLHC-UHFFFAOYSA-N 1 0 270.351 3.279 40 0 CGABRO C[N@@H+]1CCC[C@@H](c2ccc(-c3ccc(CO)cc3)cn2)C1 ZINC000072365258 176380362 /nfs/dbraw/zinc/38/03/62/176380362.db2.gz CNMCJFWFIIJTHM-QGZVFWFLSA-N 1 0 282.387 3.050 40 0 CGABRO COc1ccc(-c2cc([C@@H]3CCC[NH2+]C3)ccn2)cc1 ZINC000072386815 176392251 /nfs/dbraw/zinc/39/22/51/176392251.db2.gz IYYUUUKZNZGYDP-OAHLLOKOSA-N 1 0 268.360 3.224 40 0 CGABRO Cc1cccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000013670130 260074926 /nfs/dbraw/zinc/07/49/26/260074926.db2.gz AYNPIRAMZOQULF-HZPDHXFCSA-N 1 0 288.435 3.093 40 0 CGABRO CC(C)[NH+]1CCC2(CN(C)c3c2cccc3F)CC1 ZINC000096261779 273529943 /nfs/dbraw/zinc/52/99/43/273529943.db2.gz JKOCLSBNQRCHAO-UHFFFAOYSA-N 1 0 262.372 3.018 40 0 CGABRO CC(C)(C)OC(=O)Nc1ccc(C(N)=[NH2+])c2ccccc12 ZINC000002599215 277204726 /nfs/dbraw/zinc/20/47/26/277204726.db2.gz WCIJVOCOCCBENJ-UHFFFAOYSA-N 1 0 285.347 3.471 40 0 CGABRO Cc1nc(N2CCCC2)ccc1[C@H]1CCCC[N@H+]1C ZINC000072218935 279089658 /nfs/dbraw/zinc/08/96/58/279089658.db2.gz MKAFEOKQMIHKFL-OAHLLOKOSA-N 1 0 259.397 3.147 40 0 CGABRO Cc1nccn1-c1cncc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000072378705 279169600 /nfs/dbraw/zinc/16/96/00/279169600.db2.gz KAXRFDOJEKOYQR-INIZCTEOSA-N 1 0 297.406 3.050 40 0 CGABRO C[NH2+]CCCNc1ccnc2ccc(Br)cc21 ZINC000222679100 327934938 /nfs/dbraw/zinc/93/49/38/327934938.db2.gz NSUWLSDBWWURFG-UHFFFAOYSA-N 1 0 294.196 3.019 40 0 CGABRO c1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]2[NH2+]C[C@H]2CCOC2)cc1 ZINC000257266569 327129608 /nfs/dbraw/zinc/12/96/08/327129608.db2.gz MDOWAAUMGYZGRS-SOVHRIKKSA-N 1 0 271.404 3.195 40 0 CGABRO CCc1ccc(C[NH2+]CCCNc2nc(C)cc(C)n2)cc1 ZINC000062717861 333175997 /nfs/dbraw/zinc/17/59/97/333175997.db2.gz HTRXBGSCTGZGQR-UHFFFAOYSA-N 1 0 298.434 3.248 40 0 CGABRO c1nc(N2CCCC2)ncc1C[NH2+]C1CCCCCCC1 ZINC000062717812 333176171 /nfs/dbraw/zinc/17/61/71/333176171.db2.gz NYMPHCFVVLCLBD-UHFFFAOYSA-N 1 0 288.439 3.279 40 0 CGABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096048105 185072307 /nfs/dbraw/zinc/07/23/07/185072307.db2.gz RFEVOCVVZDSZBF-AWEZNQCLSA-N 1 0 295.448 3.217 40 0 CGABRO c1csc(-c2ccc3c([C@@H]4CCC[NH2+]4)ncn3c2)c1 ZINC000306131886 201844102 /nfs/dbraw/zinc/84/41/02/201844102.db2.gz KSBUOHLGAMRDPX-LBPRGKRZSA-N 1 0 269.373 3.487 40 0 CGABRO C[C@H]1CCCN([C@H](C[NH3+])c2c(F)cccc2Cl)C1 ZINC000108349963 345936634 /nfs/dbraw/zinc/93/66/34/345936634.db2.gz MGGRPVFTHDOROX-GXFFZTMASA-N 1 0 270.779 3.211 40 0 CGABRO CC[C@@H](OC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000002694570 169820637 /nfs/dbraw/zinc/82/06/37/169820637.db2.gz VRUIYMWWJGHVSW-DLBZAZTESA-N 1 0 277.408 3.001 40 0 CGABRO [NH3+][C@@H]1CCCC[C@H]1Nc1cccc(Br)c1 ZINC000218859806 376191363 /nfs/dbraw/zinc/19/13/63/376191363.db2.gz FPNKNFVUBPIETF-VXGBXAGGSA-N 1 0 269.186 3.131 40 0 CGABRO COc1cc(NCCCC[C@@H](C)[NH3+])c2nccc(C)c2c1 ZINC000001537817 368418229 /nfs/dbraw/zinc/41/82/29/368418229.db2.gz WFYBERHZPRRRJA-CYBMUJFWSA-N 1 0 287.407 3.481 40 0 CGABRO CCC[N@H+](C)C[C@@H](C)Nc1cc(OC)cc2cccnc21 ZINC000001656123 368427301 /nfs/dbraw/zinc/42/73/01/368427301.db2.gz KQLLLBJAONQNGY-CYBMUJFWSA-N 1 0 287.407 3.386 40 0 CGABRO CC[NH+](CC)CCCNc1ccc2ccncc2c1 ZINC000001683219 368431595 /nfs/dbraw/zinc/43/15/95/368431595.db2.gz XOFAWGMKCAKSHU-UHFFFAOYSA-N 1 0 257.381 3.379 40 0 CGABRO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000001871108 368440352 /nfs/dbraw/zinc/44/03/52/368440352.db2.gz QVPCHUSMYXRTHF-KRWDZBQOSA-N 1 0 281.355 3.118 40 0 CGABRO CCCCCC[C@@H](C)[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001842478 368440766 /nfs/dbraw/zinc/44/07/66/368440766.db2.gz BWKVGJASZQNEDR-CQSZACIVSA-N 1 0 292.423 3.374 40 0 CGABRO CC[C@H]1C[C@H](CNC(=O)OCC[NH+](CC)CC)C1(C)C ZINC000004191302 368534746 /nfs/dbraw/zinc/53/47/46/368534746.db2.gz CZZWABSJFGCIPD-UONOGXRCSA-N 1 0 284.444 3.127 40 0 CGABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(OC)c1O ZINC000004255590 368539123 /nfs/dbraw/zinc/53/91/23/368539123.db2.gz XVPRDKDPCAEZNC-LBPRGKRZSA-N 1 0 287.359 3.260 40 0 CGABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[NH+]1CCCCC1)C2 ZINC000005415665 368563617 /nfs/dbraw/zinc/56/36/17/368563617.db2.gz KEELYYKHJSSOCT-KONPQCLYSA-N 1 0 295.467 3.065 40 0 CGABRO C[C@H]1CCC[C@H]1OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000010434827 368582013 /nfs/dbraw/zinc/58/20/13/368582013.db2.gz WQOZKGHCJGQRLQ-RRFJBIMHSA-N 1 0 285.472 3.357 40 0 CGABRO [NH3+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000011730407 368594542 /nfs/dbraw/zinc/59/45/42/368594542.db2.gz MILRTIZPMYQXKU-UHFFFAOYSA-N 1 0 252.111 3.168 40 0 CGABRO C[NH+](C)CCCN(Cc1ccsc1)Cc1ccccn1 ZINC000013990732 368673174 /nfs/dbraw/zinc/67/31/74/368673174.db2.gz JZWATZCOCAWGPO-UHFFFAOYSA-N 1 0 289.448 3.097 40 0 CGABRO Cc1ccc(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000019889615 368776017 /nfs/dbraw/zinc/77/60/17/368776017.db2.gz CCNVHRBCYYZZLC-OTWHNJEPSA-N 1 0 284.447 3.301 40 0 CGABRO CC(C)(C)c1noc([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000019084643 368743774 /nfs/dbraw/zinc/74/37/74/368743774.db2.gz CGEOFBNCCLZOMH-CQSZACIVSA-N 1 0 285.391 3.357 40 0 CGABRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C)C(=O)OC(C)(C)C ZINC000047219138 369309801 /nfs/dbraw/zinc/30/98/01/369309801.db2.gz DNMOOCDFBZEBIM-JHJVBQTASA-N 1 0 255.402 3.133 40 0 CGABRO Fc1ccccc1-c1nnc([C@H]2CC[N@H+](CC3CC3)C2)o1 ZINC000049170589 369390921 /nfs/dbraw/zinc/39/09/21/369390921.db2.gz KINRHQVPPKTARV-LBPRGKRZSA-N 1 0 287.338 3.075 40 0 biogenic,in-vitro CGABRO c1ccc2sc([C@H]3CC[N@@H+](C4CCOCC4)C3)nc2c1 ZINC000049168956 369391322 /nfs/dbraw/zinc/39/13/22/369391322.db2.gz FFPZDUUSUJKVNJ-LBPRGKRZSA-N 1 0 288.416 3.265 40 0 biogenic,in-vitro CGABRO CN(Cc1cc(C[C@@H]2C[C@H]([NH3+])C2(C)C)no1)c1ccccc1 ZINC000067890155 369735425 /nfs/dbraw/zinc/73/54/25/369735425.db2.gz XABJKAFDVJDYTJ-DYVFJYSZSA-N 1 0 299.418 3.227 40 0 biogenic,in-vitro CGABRO C[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000072793311 369838004 /nfs/dbraw/zinc/83/80/04/369838004.db2.gz CJZJBRVAZGYPQL-UHFFFAOYSA-N 1 0 287.190 3.274 40 0 CGABRO COc1c(C)cc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc1C ZINC000095095395 370174738 /nfs/dbraw/zinc/17/47/38/370174738.db2.gz DICFDMFKDVZNAC-ZDUSSCGKSA-N 1 0 287.363 3.177 40 0 CGABRO CC(C)(C)OC(=O)N1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC000098213866 370269090 /nfs/dbraw/zinc/26/90/90/370269090.db2.gz WHHITSPECHGJBJ-UHFFFAOYSA-N 1 0 294.370 3.011 40 0 CGABRO COc1cccc(CC[NH2+]Cc2cnn(C(C)C)c2C)c1 ZINC000256054788 190005469 /nfs/dbraw/zinc/00/54/69/190005469.db2.gz XTYVHXZLBZCBND-UHFFFAOYSA-N 1 0 287.407 3.113 40 0 CGABRO COc1ccc(Cc2ccc([C@H]3CCCC[NH2+]3)cn2)cc1 ZINC000257198356 190010896 /nfs/dbraw/zinc/01/08/96/190010896.db2.gz ZZTUUOUXLPVKIQ-GOSISDBHSA-N 1 0 282.387 3.496 40 0 CGABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257201140 190011015 /nfs/dbraw/zinc/01/10/15/190011015.db2.gz AGLRBVCBPOVSHF-MRXNPFEDSA-N 1 0 267.376 3.165 40 0 CGABRO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3ccsc3)C2)n1 ZINC000257272803 190024732 /nfs/dbraw/zinc/02/47/32/190024732.db2.gz NDYDFUXKOIRVGV-CQSZACIVSA-N 1 0 275.421 3.170 40 0 CGABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c(C)n1 ZINC000257295023 190028852 /nfs/dbraw/zinc/02/88/52/190028852.db2.gz QWPZATUHZIXLPS-CYBMUJFWSA-N 1 0 290.436 3.048 40 0 CGABRO Cc1cc(-c2cccc([C@H]3CCC[N@@H+](C(C)C)C3)n2)n[nH]1 ZINC000257302037 190030630 /nfs/dbraw/zinc/03/06/30/190030630.db2.gz SBDWNGFEKGPIRG-AWEZNQCLSA-N 1 0 284.407 3.368 40 0 CGABRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnc(N)n2)cc1 ZINC000257331644 190035737 /nfs/dbraw/zinc/03/57/37/190035737.db2.gz XTRJAVCQJKKVAL-MRXNPFEDSA-N 1 0 282.391 3.094 40 0 CGABRO C[NH2+]CCCNc1ccnc2c(C)c(Cl)ccc12 ZINC000222679643 376241251 /nfs/dbraw/zinc/24/12/51/376241251.db2.gz BIFAKXNOAGRJDN-UHFFFAOYSA-N 1 0 263.772 3.218 40 0 CGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1cccs1 ZINC000223362583 376251185 /nfs/dbraw/zinc/25/11/85/376251185.db2.gz IMHZUMSVURJQHC-AWEZNQCLSA-N 1 0 294.464 3.061 40 0 CGABRO COCCC[NH2+]Cc1cccn1-c1ccc(C)cc1C ZINC000223681200 376259264 /nfs/dbraw/zinc/25/92/64/376259264.db2.gz QVYPOYAGFYOLQY-UHFFFAOYSA-N 1 0 272.392 3.220 40 0 CGABRO CCn1c(C)c(C[NH2+]C(C)C)c2cc(OC)ccc21 ZINC000223768755 376262131 /nfs/dbraw/zinc/26/21/31/376262131.db2.gz MBNKDUNKIZHIBJ-UHFFFAOYSA-N 1 0 260.381 3.476 40 0 CGABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000224647147 376286414 /nfs/dbraw/zinc/28/64/14/376286414.db2.gz VJAKWRUHQVRMFV-UHFFFAOYSA-N 1 0 298.386 3.196 40 0 CGABRO CC[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000226724626 376371889 /nfs/dbraw/zinc/37/18/89/376371889.db2.gz RNHFVWMMSZZINT-NJAFHUGGSA-N 1 0 291.435 3.247 40 0 CGABRO C1CCC(O[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@H]3CCC[C@@H]32)C1 ZINC000242649077 376783301 /nfs/dbraw/zinc/78/33/01/376783301.db2.gz RUBZSLWQDHSQAX-XLAORIBOSA-N 1 0 292.467 3.083 40 0 CGABRO C[C@@H]1CCC[C@@H](C)[NH+]1CCOc1ccc(C=O)cc1 ZINC000217788246 262344417 /nfs/dbraw/zinc/34/44/17/262344417.db2.gz SBNDMMYUZXEZDP-ZIAGYGMSSA-N 1 0 261.365 3.141 40 0 CGABRO CC1=C2C(C)=CC(=O)O[C@@H]2N(c2ccc(C)c(Cl)c2)[NH2+]1 ZINC000059416955 392117956 /nfs/dbraw/zinc/11/79/56/392117956.db2.gz ZRBAITHXDBBELJ-CABCVRRESA-N 1 0 290.750 3.290 40 0 CGABRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072211655 392197177 /nfs/dbraw/zinc/19/71/77/392197177.db2.gz ZRDQMYXDLAKLOY-MRXNPFEDSA-N 1 0 268.360 3.427 40 0 CGABRO CCN(CC)c1ncccc1[C@@H]1CCCC[N@@H+]1CC ZINC000072212913 392199073 /nfs/dbraw/zinc/19/90/73/392199073.db2.gz ICHUSEGNFSNMCK-HNNXBMFYSA-N 1 0 261.413 3.475 40 0 CGABRO CC[C@H]([NH3+])c1ccc(N2CCc3ccccc32)nc1C ZINC000072224993 392204203 /nfs/dbraw/zinc/20/42/03/392204203.db2.gz IQMTUMRQBLYQEZ-HNNXBMFYSA-N 1 0 267.376 3.494 40 0 CGABRO COc1ccc(Cl)cc1-c1noc([C@H]2CCCC[NH2+]2)n1 ZINC000072209117 397640177 /nfs/dbraw/zinc/64/01/77/397640177.db2.gz XNNMINNOUGOMLF-LLVKDONJSA-N 1 0 293.754 3.213 40 0 CGABRO CC[C@@H](CO)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000005907674 170153625 /nfs/dbraw/zinc/15/36/25/170153625.db2.gz QYOOHLXOECKDGX-KRWDZBQOSA-N 1 0 285.387 3.126 40 0 CGABRO CC[N@H+](C[C@H](O)COc1ccccc1)C1CCCCC1 ZINC000006438585 170201368 /nfs/dbraw/zinc/20/13/68/170201368.db2.gz HHYZHASZNQSYDT-INIZCTEOSA-N 1 0 277.408 3.081 40 0 CGABRO CCOc1cc(C[NH2+]C2CC2)cc(Cl)c1OCC ZINC000008253869 170327623 /nfs/dbraw/zinc/32/76/23/170327623.db2.gz TXAHUFSHQXBAFT-UHFFFAOYSA-N 1 0 269.772 3.389 40 0 CGABRO CCOc1c(C[NH2+]CCc2ccccc2)cccc1OC ZINC000022074367 171352093 /nfs/dbraw/zinc/35/20/93/171352093.db2.gz MYGAVPJZUSEYAG-UHFFFAOYSA-N 1 0 285.387 3.426 40 0 CGABRO [NH3+]CC1(c2ccc(Cl)c(Cl)c2)CCC(O)CC1 ZINC000035630098 172311608 /nfs/dbraw/zinc/31/16/08/172311608.db2.gz APRZPAJFSXWXIH-UHFFFAOYSA-N 1 0 274.191 3.125 40 0 CGABRO COc1ccccc1Cc1cccc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072348582 176373754 /nfs/dbraw/zinc/37/37/54/176373754.db2.gz UOHOXRMVAHSSJA-MRXNPFEDSA-N 1 0 296.414 3.490 40 0 CGABRO Cc1cc(N(C)C)cc([C@@H]2CCCN2Cc2ccncc2)[nH+]1 ZINC000072363803 176378104 /nfs/dbraw/zinc/37/81/04/176378104.db2.gz WTKRAFHBSYCESU-SFHVURJKSA-N 1 0 296.418 3.188 40 0 CGABRO COc1cccc(C[N@@H+]2CCCC[C@H]2c2ccncn2)c1 ZINC000072385067 176389371 /nfs/dbraw/zinc/38/93/71/176389371.db2.gz KLMKVHCTAUILGA-KRWDZBQOSA-N 1 0 283.375 3.212 40 0 CGABRO [NH3+][C@H]1CCCC[C@H]1Nc1cccc(C(F)(F)F)c1 ZINC000218860453 274961912 /nfs/dbraw/zinc/96/19/12/274961912.db2.gz SZOJJWMTFAQNHM-NWDGAFQWSA-N 1 0 258.287 3.387 40 0 CGABRO OCC[NH+]1CCC2(CCc3cc(-c4ccoc4)ccc32)CC1 ZINC000096079394 275046739 /nfs/dbraw/zinc/04/67/39/275046739.db2.gz BUOUXLCGPSYQQX-UHFFFAOYSA-N 1 0 297.398 3.219 40 0 CGABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc[n+]1C ZINC000005551437 275994456 /nfs/dbraw/zinc/99/44/56/275994456.db2.gz FTBJIIUZEXIUOF-IJEWVQPXSA-N 1 0 276.400 3.129 40 0 CGABRO CC[NH+](CC)Cc1c2cccnc2[nH]c1C(F)(F)F ZINC000019526439 276109830 /nfs/dbraw/zinc/10/98/30/276109830.db2.gz YNZZGHWDMUUFGQ-UHFFFAOYSA-N 1 0 271.286 3.424 40 0 CGABRO CO[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000096106536 277344911 /nfs/dbraw/zinc/34/49/11/277344911.db2.gz LNFSWANUIKUKNX-OAHLLOKOSA-N 1 0 295.810 3.110 40 0 CGABRO CC1=C[C@@H](C)[C@@H]([C@@H]2OC[C@H](C[NH+]3CCCC3)O2)[C@H](C)C1 ZINC000102677230 278505573 /nfs/dbraw/zinc/50/55/73/278505573.db2.gz FTLAMGAOAHIHBM-NQNKBUKLSA-N 1 0 279.424 3.062 40 0 CGABRO O=C1c2ccccc2CCC[C@H]1[C@H]1CCCCC[NH2+]1 ZINC000019375295 280332111 /nfs/dbraw/zinc/33/21/11/280332111.db2.gz FAHJUQKHFKDJIS-JKSUJKDBSA-N 1 0 257.377 3.354 40 0 CGABRO Cc1[nH+]c(N2CCCCC2)nc(N)c1-c1ccccc1 ZINC000009264729 281923688 /nfs/dbraw/zinc/92/36/88/281923688.db2.gz YSCXSPMEQYQUMC-UHFFFAOYSA-N 1 0 268.364 3.025 40 0 CGABRO NC1=[NH+]N(c2ccccc2)[C@@H](c2ccc(F)cc2)C1 ZINC000222548199 295210113 /nfs/dbraw/zinc/21/01/13/295210113.db2.gz MFYRORUJXAGOHB-CQSZACIVSA-N 1 0 255.296 3.049 40 0 CGABRO [NH3+]C[C@@H](c1cccc(Cl)c1Cl)N1CCCC1 ZINC000019511688 303393973 /nfs/dbraw/zinc/39/39/73/303393973.db2.gz PWQNYCVVZIVXLA-NSHDSACASA-N 1 0 259.180 3.089 40 0 CGABRO CCNc1ncc(C[NH2+][C@H](C)CCc2ccccc2)cn1 ZINC000062717575 327914811 /nfs/dbraw/zinc/91/48/11/327914811.db2.gz YFOUEIYHWVLMAJ-CQSZACIVSA-N 1 0 284.407 3.019 40 0 CGABRO Cc1ccc(COC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000035075009 500972142 /nfs/dbraw/zinc/97/21/42/500972142.db2.gz PAWQSMOBOGCYPF-BQFCYCMXSA-N 1 0 291.435 3.135 40 0 CGABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@H]12 ZINC000096058416 185078745 /nfs/dbraw/zinc/07/87/45/185078745.db2.gz IHFWJQMJMIROBC-RBUKOAKNSA-N 1 0 296.414 3.127 40 0 CGABRO CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1sccc1C)C2 ZINC000096107227 185099723 /nfs/dbraw/zinc/09/97/23/185099723.db2.gz MZJOSEJWTYLKKA-ZBFHGGJFSA-N 1 0 295.448 3.217 40 0 CGABRO CC(C)Oc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000127955191 187343562 /nfs/dbraw/zinc/34/35/62/187343562.db2.gz GJMYPHGIPZDABU-CJNGLKHVSA-N 1 0 263.381 3.303 40 0 CGABRO C[NH+](C)C[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000381759350 346559312 /nfs/dbraw/zinc/55/93/12/346559312.db2.gz IIPARBVGKWWKIH-KOMQPUFPSA-N 1 0 290.407 3.033 40 0 CGABRO [NH3+]C[C@@H](c1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000038827627 283454862 /nfs/dbraw/zinc/45/48/62/283454862.db2.gz BDHOAZLEYNPWKF-ZDUSSCGKSA-N 1 0 273.207 3.479 40 0 CGABRO C[NH+](C)CCSc1sc(N)nc1-c1ccccc1 ZINC000001568258 368419811 /nfs/dbraw/zinc/41/98/11/368419811.db2.gz CVEBRSJAOIWMTA-UHFFFAOYSA-N 1 0 279.434 3.046 40 0 CGABRO C[NH2+]CCCCCCNc1cc(OC)cc2cccnc21 ZINC000001599849 368422074 /nfs/dbraw/zinc/42/20/74/368422074.db2.gz IVOWMVRMYDRXNQ-UHFFFAOYSA-N 1 0 287.407 3.435 40 0 CGABRO COc1ccc(CC[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000001667614 368428577 /nfs/dbraw/zinc/42/85/77/368428577.db2.gz ATAKISXCNDAYCV-OAHLLOKOSA-N 1 0 271.360 3.336 40 0 CGABRO CCC[C@@H](C)[NH2+]CCNc1cc(OC)cc2cccnc21 ZINC000001687530 368431690 /nfs/dbraw/zinc/43/16/90/368431690.db2.gz SLWCTCDASNOOMA-CYBMUJFWSA-N 1 0 287.407 3.434 40 0 CGABRO [NH3+]C1C[C@H](c2ccccc2)N[C@H](c2ccccc2)C1 ZINC000001719794 368436129 /nfs/dbraw/zinc/43/61/29/368436129.db2.gz QJXPNWHACFMWAI-ALOPSCKCSA-N 1 0 252.361 3.180 40 0 CGABRO CC[C@@H](OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000002694582 368472948 /nfs/dbraw/zinc/47/29/48/368472948.db2.gz KZUCROJGSXJBCA-CGTJXYLNSA-N 1 0 291.435 3.390 40 0 CGABRO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000012169927 368605114 /nfs/dbraw/zinc/60/51/14/368605114.db2.gz JGRVELMYSIWKMD-IXDOHACOSA-N 1 0 291.435 3.021 40 0 CGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1F ZINC000013669373 368660748 /nfs/dbraw/zinc/66/07/48/368660748.db2.gz GCWLIBPRTBKJET-CQSZACIVSA-N 1 0 292.398 3.210 40 0 CGABRO Cc1ccsc1C[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000013991351 368673191 /nfs/dbraw/zinc/67/31/91/368673191.db2.gz XFLLYAHCFUKFJH-CQSZACIVSA-N 1 0 275.417 3.440 40 0 CGABRO Clc1ccc([C@H]2NCC[NH2+]Cc3ccccc32)cc1 ZINC000019368904 368750330 /nfs/dbraw/zinc/75/03/30/368750330.db2.gz BIRFBGKBJMZZJI-MRXNPFEDSA-N 1 0 272.779 3.122 40 0 CGABRO CSc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000019575752 368757288 /nfs/dbraw/zinc/75/72/88/368757288.db2.gz JVJKUUUZHSHHMB-ZFWWWQNUSA-N 1 0 276.449 3.077 40 0 CGABRO CC[NH2+]Cc1ccc(OCC(C)C)c(OCC)c1 ZINC000034652224 368976859 /nfs/dbraw/zinc/97/68/59/368976859.db2.gz RQHQFMAOFKRUAK-UHFFFAOYSA-N 1 0 251.370 3.230 40 0 CGABRO COCCC[NH2+]Cc1ccc(OC2CCCC2)c(OC)c1 ZINC000032156550 368927414 /nfs/dbraw/zinc/92/74/14/368927414.db2.gz LHNKCEHTMMCLMB-UHFFFAOYSA-N 1 0 293.407 3.143 40 0 CGABRO O[C@H]1c2ccccc2O[C@@]2([NH+]3CCCC3)CCCC[C@H]12 ZINC000063907056 369650772 /nfs/dbraw/zinc/65/07/72/369650772.db2.gz JLHMLQKTHCZJSS-PVAVHDDUSA-N 1 0 273.376 3.095 40 0 CGABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000072793312 369837947 /nfs/dbraw/zinc/83/79/47/369837947.db2.gz CDYVBIBBAFSZAZ-VIFPVBQESA-N 1 0 287.190 3.274 40 0 CGABRO Cc1cc(Cl)ccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000074921008 369891759 /nfs/dbraw/zinc/89/17/59/369891759.db2.gz JGMVINSWIZWHRJ-UHFFFAOYSA-N 1 0 280.799 3.319 40 0 CGABRO CO[C@@H]1CC[N@H+](Cc2ccoc2)[C@H]1Cc1ccccc1 ZINC000096261244 370209331 /nfs/dbraw/zinc/20/93/31/370209331.db2.gz GSDHSKMHFDOCJZ-DLBZAZTESA-N 1 0 271.360 3.112 40 0 CGABRO C[C@H](c1cccc(F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172645663 373000933 /nfs/dbraw/zinc/00/09/33/373000933.db2.gz GQJDHYWKCNGXLN-HUUCEWRRSA-N 1 0 276.399 3.304 40 0 CGABRO CC(C)C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000174551419 373336256 /nfs/dbraw/zinc/33/62/56/373336256.db2.gz ATNWFYXUIXNNKD-KRWDZBQOSA-N 1 0 288.435 3.232 40 0 CGABRO COc1cccc(C[NH2+]Cc2ccc(F)s2)c1 ZINC000256051303 190003890 /nfs/dbraw/zinc/00/38/90/190003890.db2.gz IPIGPTLPPGSYKT-UHFFFAOYSA-N 1 0 251.326 3.186 40 0 CGABRO CCc1nc(C)c(C[N@@H+]2CCC[C@@H](Cc3cccnc3)C2)[nH]1 ZINC000257235122 190017200 /nfs/dbraw/zinc/01/72/00/190017200.db2.gz GWODMVLEMCRDRM-INIZCTEOSA-N 1 0 298.434 3.130 40 0 CGABRO c1cc(CC[C@H]2CCC[N@@H+]2Cc2ccncc2)ccn1 ZINC000257250039 190019953 /nfs/dbraw/zinc/01/99/53/190019953.db2.gz JKSURDDDMHPJMU-QGZVFWFLSA-N 1 0 267.376 3.074 40 0 CGABRO CC1(c2ncc(Cc3cccc(F)c3)o2)CC[NH2+]CC1 ZINC000257268749 190024174 /nfs/dbraw/zinc/02/41/74/190024174.db2.gz MMZWNBDEWMWKGB-UHFFFAOYSA-N 1 0 274.339 3.046 40 0 CGABRO Cc1cc(-c2cc([C@@H]3CCC[N@@H+](C(C)C)C3)nc(C)n2)n[nH]1 ZINC000257296703 190028277 /nfs/dbraw/zinc/02/82/77/190028277.db2.gz REAJWFCMTGZJOH-CQSZACIVSA-N 1 0 299.422 3.071 40 0 CGABRO c1cn2c(cccc2[C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000257332416 190035808 /nfs/dbraw/zinc/03/58/08/190035808.db2.gz XXGIMBMTOMHWAF-OAHLLOKOSA-N 1 0 278.359 3.066 40 0 CGABRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]1CCc1ccncc1 ZINC000257340492 190036832 /nfs/dbraw/zinc/03/68/32/190036832.db2.gz ZGJMHBZSDPNBCU-KRWDZBQOSA-N 1 0 298.434 3.029 40 0 CGABRO COCC[NH2+]Cc1cc(C)n(Cc2cccc(C)c2)c1C ZINC000223663034 376258313 /nfs/dbraw/zinc/25/83/13/376258313.db2.gz WAMWMVTULUTXFN-UHFFFAOYSA-N 1 0 286.419 3.198 40 0 CGABRO Cn1c(C[NH2+]Cc2ccco2)ccc1Cc1ccco1 ZINC000226021398 376338805 /nfs/dbraw/zinc/33/88/05/376338805.db2.gz NFVKLYLRWGIALQ-UHFFFAOYSA-N 1 0 270.332 3.092 40 0 CGABRO CCn1c(C[NH2+]CC(C)C)ccc1Cc1ccco1 ZINC000226021526 376339237 /nfs/dbraw/zinc/33/92/37/376339237.db2.gz SAOSSRHQGIEDTJ-UHFFFAOYSA-N 1 0 260.381 3.437 40 0 CGABRO CCC[n+]1cccc(-c2nc3cc(C)ccc3[nH]2)c1 ZINC000226774455 376373374 /nfs/dbraw/zinc/37/33/74/376373374.db2.gz DXSSLEFVGFALLH-UHFFFAOYSA-N 1 0 252.341 3.236 40 0 CGABRO CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072214510 392198762 /nfs/dbraw/zinc/19/87/62/392198762.db2.gz ZXMMYQUKBRXGTN-ZDUSSCGKSA-N 1 0 291.395 3.268 40 0 CGABRO CCCC[N@@H+]1CCC[C@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218626 392200087 /nfs/dbraw/zinc/20/00/87/392200087.db2.gz VQZKQHTUSDSFJF-HNNXBMFYSA-N 1 0 261.413 3.393 40 0 CGABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215984 392200540 /nfs/dbraw/zinc/20/05/40/392200540.db2.gz LESZSLZMNLHQAK-HNNXBMFYSA-N 1 0 259.397 3.229 40 0 CGABRO CCCCN(Cc1ccco1)C[C@@H]1CCCC[NH2+]1 ZINC000096523993 392257846 /nfs/dbraw/zinc/25/78/46/392257846.db2.gz OSUHAKDLYKKDSX-AWEZNQCLSA-N 1 0 250.386 3.024 40 0 CGABRO CCc1c(Br)cc(C=O)n1-c1cc[nH+]cc1 ZINC000225305315 393011252 /nfs/dbraw/zinc/01/12/52/393011252.db2.gz YSFDYNWZFMJMPO-UHFFFAOYSA-N 1 0 279.137 3.010 40 0 CGABRO CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)C[NH2+]C1CCCCC1 ZINC000005000563 170052669 /nfs/dbraw/zinc/05/26/69/170052669.db2.gz BIEGZKOQZDVENG-PMUMKWKESA-N 1 0 292.467 3.240 40 0 CGABRO C[NH+](C)Cc1c2ccccc2[nH]c1C(=O)Nc1ccccc1 ZINC000005342283 170087947 /nfs/dbraw/zinc/08/79/47/170087947.db2.gz XXNHZPUOMCTBJS-UHFFFAOYSA-N 1 0 293.370 3.482 40 0 CGABRO CC[NH+](CC)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000006382473 170196963 /nfs/dbraw/zinc/19/69/63/170196963.db2.gz SUEYIXUWXJMMPP-GFCCVEGCSA-N 1 0 262.180 3.369 40 0 CGABRO C[C@@H]1C[NH+]=C(COc2ccccc2Cc2ccccc2)N1 ZINC000006488533 170205563 /nfs/dbraw/zinc/20/55/63/170205563.db2.gz KUCRAFYSUFMDKE-CQSZACIVSA-N 1 0 280.371 3.046 40 0 CGABRO CCCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020480927 171221792 /nfs/dbraw/zinc/22/17/92/171221792.db2.gz YYQYZCAOPCUHHO-CQSZACIVSA-N 1 0 274.408 3.058 40 0 CGABRO c1ccc(-c2ccc(OCC[NH2+]C3CC3)cc2)cc1 ZINC000036230600 172527811 /nfs/dbraw/zinc/52/78/11/172527811.db2.gz QBEBITAJKGYCGG-UHFFFAOYSA-N 1 0 253.345 3.484 40 0 CGABRO CC(C)(C)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000067801234 175793215 /nfs/dbraw/zinc/79/32/15/175793215.db2.gz ZYRVYNYVBAMZBC-UHFFFAOYSA-N 1 0 284.444 3.269 40 0 CGABRO COc1cccc(Cc2cccc(C3CC[NH2+]CC3)n2)c1 ZINC000072348401 176373314 /nfs/dbraw/zinc/37/33/14/176373314.db2.gz IBRRUCJEIMHTTK-UHFFFAOYSA-N 1 0 282.387 3.148 40 0 CGABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072355678 176375117 /nfs/dbraw/zinc/37/51/17/176375117.db2.gz CORGABVMUKPWLO-OAHLLOKOSA-N 1 0 284.407 3.164 40 0 CGABRO COc1cccc(Cc2cccc([C@H]3CCC[NH2+]3)n2)c1 ZINC000072356424 176375865 /nfs/dbraw/zinc/37/58/65/176375865.db2.gz XEDGJWILMRKGFM-MRXNPFEDSA-N 1 0 268.360 3.106 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H]1c1cccc(-c2ccc(N)nc2)n1 ZINC000072357539 176376287 /nfs/dbraw/zinc/37/62/87/176376287.db2.gz ZYBTXWLQVVCJRI-INIZCTEOSA-N 1 0 282.391 3.271 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H]1c1nccnc1-c1ccc(CO)cc1 ZINC000072358407 176376410 /nfs/dbraw/zinc/37/64/10/176376410.db2.gz VICIGOVBEUBGOI-INIZCTEOSA-N 1 0 297.402 3.181 40 0 CGABRO c1c[nH]c(C[N@H+]2CC[C@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000072368027 176382162 /nfs/dbraw/zinc/38/21/62/176382162.db2.gz IAQSTCNGPXVGKO-OAHLLOKOSA-N 1 0 292.386 3.023 40 0 CGABRO CCCNc1ncc(C[NH2+][C@H](C)c2ccccc2)cn1 ZINC000062717675 262302326 /nfs/dbraw/zinc/30/23/26/262302326.db2.gz DOAIZWPFKWNPTB-CYBMUJFWSA-N 1 0 270.380 3.149 40 0 CGABRO COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3[NH2+]CC2 ZINC000029321809 274102721 /nfs/dbraw/zinc/10/27/21/274102721.db2.gz QQKAHDMMPBQDAC-CQSZACIVSA-N 1 0 281.355 3.114 40 0 biogenic,in-vitro CGABRO [NH3+][C@@H]1CCCC[C@H]1Nc1cccc(C(F)(F)F)c1 ZINC000218860368 274956102 /nfs/dbraw/zinc/95/61/02/274956102.db2.gz SZOJJWMTFAQNHM-VXGBXAGGSA-N 1 0 258.287 3.387 40 0 CGABRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000003141360 276010529 /nfs/dbraw/zinc/01/05/29/276010529.db2.gz KIMROAPJONSNJU-HNNXBMFYSA-N 1 0 274.408 3.425 40 0 CGABRO C[NH2+]Cc1cnc(N2CCCc3ccccc32)c(C)c1 ZINC000072222885 277288214 /nfs/dbraw/zinc/28/82/14/277288214.db2.gz GTQRAMJBQPBWHW-UHFFFAOYSA-N 1 0 267.376 3.194 40 0 CGABRO C[NH2+]Cc1ccccc1[C@@H](O)c1ccc(Cl)cc1 ZINC000001692728 277288270 /nfs/dbraw/zinc/28/82/70/277288270.db2.gz GMQRLEHODLAXAW-HNNXBMFYSA-N 1 0 261.752 3.141 40 0 in-man CGABRO CC(C)(C)[NH2+]C[C@@H](O)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000028295486 278370274 /nfs/dbraw/zinc/37/02/74/278370274.db2.gz KGLGBKOSMPXHRX-OIPACUDHSA-N 1 0 297.483 3.357 40 0 CGABRO C[N@@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000003812984 290252852 /nfs/dbraw/zinc/25/28/52/290252852.db2.gz JAQUASYNZVUNQP-USXIJHARSA-N 1 0 257.377 3.080 40 0 fda CGABRO c1ccc(C[N@H+](Cc2ccccn2)C[C@@H]2CCOC2)cc1 ZINC000072398435 526467681 /nfs/dbraw/zinc/46/76/81/526467681.db2.gz WPFLSAYKHQXLTG-KRWDZBQOSA-N 1 0 282.387 3.120 40 0 CGABRO CCn1cc(Cc2ccc(C(F)(F)F)cc2)[nH+]c1N ZINC000199550291 567906308 /nfs/dbraw/zinc/90/63/08/567906308.db2.gz QCLZUYBBKAQGLD-UHFFFAOYSA-N 1 0 269.270 3.095 40 0 CGABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccsc1)CC2 ZINC000096047493 185072446 /nfs/dbraw/zinc/07/24/46/185072446.db2.gz HHVWFDKPJWHANS-INIZCTEOSA-N 1 0 292.448 3.115 40 0 CGABRO CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cccs1)C2 ZINC000096056793 185078095 /nfs/dbraw/zinc/07/80/95/185078095.db2.gz NLEXSHPMPYXTBJ-HOTGVXAUSA-N 1 0 295.448 3.156 40 0 CGABRO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000006008022 344863907 /nfs/dbraw/zinc/86/39/07/344863907.db2.gz CLGXEJOPRIEXHR-JKSUJKDBSA-N 1 0 291.435 3.282 40 0 CGABRO COCC[C@@H]1Cn2cccc2C[N@H+](Cc2ccsc2)C1 ZINC000585094665 346724280 /nfs/dbraw/zinc/72/42/80/346724280.db2.gz VQCXPAFUUVJXDH-AWEZNQCLSA-N 1 0 290.432 3.218 40 0 CGABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH+]2CCCCC2)[C@H]1O ZINC000585288915 346725726 /nfs/dbraw/zinc/72/57/26/346725726.db2.gz LFQKSGSBOHITPS-CGTJXYLNSA-N 1 0 289.419 3.142 40 0 CGABRO CCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289750 346725793 /nfs/dbraw/zinc/72/57/93/346725793.db2.gz NDDCZDPZHYAQKY-RRFJBIMHSA-N 1 0 283.799 3.000 40 0 CGABRO Cc1cccnc1Nc1cc(CCC2CC[NH2+]CC2)ccn1 ZINC000585169384 346725802 /nfs/dbraw/zinc/72/58/02/346725802.db2.gz ZPPLRIVXNOUTSD-UHFFFAOYSA-N 1 0 296.418 3.461 40 0 CGABRO CC(C)(C)OC(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC000091297393 180125415 /nfs/dbraw/zinc/12/54/15/180125415.db2.gz WSKLLLAOAMNOTN-MRXNPFEDSA-N 1 0 282.428 3.167 40 0 CGABRO CC(C)(C)OC(=O)Nc1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000169804551 188665580 /nfs/dbraw/zinc/66/55/80/188665580.db2.gz OWJXVLBLQLIQRM-GFCCVEGCSA-N 1 0 262.353 3.111 40 0 CGABRO C[NH+](C)[C@H]1Cc2ccccc2[C@@H]1OC(=O)c1ccccc1 ZINC000001568911 368419341 /nfs/dbraw/zinc/41/93/41/368419341.db2.gz XHYXVRAZPBSVMR-IRXDYDNUSA-N 1 0 281.355 3.071 40 0 CGABRO C[C@H](c1ccccc1)[C@H]([NH2+]CCO)c1ccccc1 ZINC000001666278 368427545 /nfs/dbraw/zinc/42/75/45/368427545.db2.gz KNEGDSSMOSXWRT-PBHICJAKSA-N 1 0 255.361 3.113 40 0 CGABRO C[C@@H]([C@@H](O)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001665294 368427969 /nfs/dbraw/zinc/42/79/69/368427969.db2.gz OUBANBNSLLAFIF-SMDDNHRTSA-N 1 0 253.773 3.248 40 0 CGABRO C[C@H]1[C@@H](O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000004011407 368526260 /nfs/dbraw/zinc/52/62/60/368526260.db2.gz RUYRAUWKVSWJFK-NBMRYCAZSA-N 1 0 267.372 3.459 40 0 CGABRO COc1cc2c(cc1OCc1ccccc1)C(C)=[N+](C)CC2 ZINC000003847235 368520665 /nfs/dbraw/zinc/52/06/65/368520665.db2.gz PPNDUYWMWXSXLY-UHFFFAOYSA-N 1 0 296.390 3.282 40 0 CGABRO CC(C)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000004293878 368540925 /nfs/dbraw/zinc/54/09/25/368540925.db2.gz LRLQTMFGXRRQOB-SNVBAGLBSA-N 1 0 256.187 3.378 40 0 CGABRO [NH3+]C[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000034958725 368982355 /nfs/dbraw/zinc/98/23/55/368982355.db2.gz OMLYTSCCWWLIPH-LLVKDONJSA-N 1 0 273.207 3.307 40 0 CGABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCCC1)C2 ZINC000035075036 368995755 /nfs/dbraw/zinc/99/57/55/368995755.db2.gz XXJCVFHPGVFRGI-LISAXSMJSA-N 1 0 295.467 3.065 40 0 CGABRO CCN(CC)C1=[NH+]C[C@H](Cc2cccc(C)c2)S1 ZINC000036639828 369023792 /nfs/dbraw/zinc/02/37/92/369023792.db2.gz QAOXYOYXVYSKMX-AWEZNQCLSA-N 1 0 262.422 3.351 40 0 CGABRO CCSc1ccccc1NC(=O)C1CC[NH+](C)CC1 ZINC000081270780 369994297 /nfs/dbraw/zinc/99/42/97/369994297.db2.gz SIBSESMOQBCHKZ-UHFFFAOYSA-N 1 0 278.421 3.079 40 0 CGABRO CCc1ncnc2c1CC[N@H+](Cc1ccc(C)s1)CC2 ZINC000096255016 370209521 /nfs/dbraw/zinc/20/95/21/370209521.db2.gz MJHVPIRJCVOJKM-UHFFFAOYSA-N 1 0 287.432 3.010 40 0 CGABRO C[NH+](C)[C@H]1CCC2=N[C@H]3C=CC(Br)=CC3=C2C1 ZINC000329060631 374398373 /nfs/dbraw/zinc/39/83/73/374398373.db2.gz WMYJERFRHFHULG-GWCFXTLKSA-N 1 0 293.208 3.069 40 0 CGABRO Fc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)s1 ZINC000256055124 190005290 /nfs/dbraw/zinc/00/52/90/190005290.db2.gz ZHOUVUYAGTUHON-UHFFFAOYSA-N 1 0 257.280 3.455 40 0 CGABRO CC[C@@H](C)n1nccc1C[NH2+]Cc1ccc(OC)cc1 ZINC000256054837 190005637 /nfs/dbraw/zinc/00/56/37/190005637.db2.gz YAAAXYSBEBKVMO-CYBMUJFWSA-N 1 0 273.380 3.153 40 0 CGABRO Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCC[NH2+]2)n1 ZINC000257197637 190010236 /nfs/dbraw/zinc/01/02/36/190010236.db2.gz FJTRFZYKQUJGPF-CYBMUJFWSA-N 1 0 288.782 3.194 40 0 CGABRO FC(F)(F)c1ccc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000257233858 190017281 /nfs/dbraw/zinc/01/72/81/190017281.db2.gz GRBSKIIOSPWKQW-MVCUKOFQSA-N 1 0 270.298 3.174 40 0 CGABRO Cc1cn(C)c([C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000257286627 190027150 /nfs/dbraw/zinc/02/71/50/190027150.db2.gz PMHJJTNEXQRKNC-QGZVFWFLSA-N 1 0 283.419 3.151 40 0 CGABRO c1csc(C[N@H+]2CCC[C@@H]2CCc2ccncc2)n1 ZINC000257319755 190033680 /nfs/dbraw/zinc/03/36/80/190033680.db2.gz VTYKLTHCJZHTEY-CQSZACIVSA-N 1 0 273.405 3.135 40 0 CGABRO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000257337145 190036679 /nfs/dbraw/zinc/03/66/79/190036679.db2.gz YROUITNGNHPCEV-GFCCVEGCSA-N 1 0 261.394 3.159 40 0 CGABRO Clc1ccccc1C[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257339768 190037415 /nfs/dbraw/zinc/03/74/15/190037415.db2.gz ZDCDEPACSKXPDL-GFCCVEGCSA-N 1 0 265.784 3.041 40 0 CGABRO CCC(=O)Nc1cc(N2CCCC[C@H]2C)c(C)cc1N ZINC000216864686 376168110 /nfs/dbraw/zinc/16/81/10/376168110.db2.gz YYPPJFXNHJPLGZ-GFCCVEGCSA-N 1 0 275.396 3.305 40 0 CGABRO CCC(=O)Nc1cc(N2C[C@H](C)C[C@@H](C)C2)c(C)cc1N ZINC000216865487 376168146 /nfs/dbraw/zinc/16/81/46/376168146.db2.gz AYPIJOQNRJSDTE-VXGBXAGGSA-N 1 0 289.423 3.408 40 0 CGABRO CCn1c(C)c(C[NH2+]C)c2cc(OC(C)C)ccc21 ZINC000223759230 376261919 /nfs/dbraw/zinc/26/19/19/376261919.db2.gz KXJNKGOPVRIKLI-UHFFFAOYSA-N 1 0 260.381 3.476 40 0 CGABRO C[NH+]1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2 ZINC000225822063 376327986 /nfs/dbraw/zinc/32/79/86/376327986.db2.gz QORBXWVZPUOWDC-UHFFFAOYSA-N 1 0 299.292 3.135 40 0 CGABRO COCC[NH2+][C@H](C)c1ccccc1OCC(C)C ZINC000225160937 376297092 /nfs/dbraw/zinc/29/70/92/376297092.db2.gz KCEICJWQRZIDNQ-CYBMUJFWSA-N 1 0 251.370 3.018 40 0 CGABRO CC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000248267142 377285016 /nfs/dbraw/zinc/28/50/16/377285016.db2.gz YEAAFHQYCUNACY-GDBMZVCRSA-N 1 0 293.480 3.230 40 0 CGABRO C[NH2+]Cc1cnc(SCc2ccccc2)cc1C ZINC000072223461 256705801 /nfs/dbraw/zinc/70/58/01/256705801.db2.gz HHVPYUOWUROUBS-UHFFFAOYSA-N 1 0 258.390 3.402 40 0 CGABRO COc1ccc(C(=[NH2+])c2ccc(N(C)C)cc2)cc1 ZINC000005849155 260020747 /nfs/dbraw/zinc/02/07/47/260020747.db2.gz YZJKRXBWXJENOZ-UHFFFAOYSA-N 1 0 254.333 3.177 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215981 392198560 /nfs/dbraw/zinc/19/85/60/392198560.db2.gz BHOPRJPFQJPFAT-OAHLLOKOSA-N 1 0 259.397 3.227 40 0 CGABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C)CC ZINC000072212795 392198901 /nfs/dbraw/zinc/19/89/01/392198901.db2.gz VQSIJSOKQLBJHM-HNNXBMFYSA-N 1 0 261.413 3.475 40 0 CGABRO [NH3+][C@H](c1ccccc1)c1ccc(N2CCCCC2)nc1 ZINC000072225458 392204807 /nfs/dbraw/zinc/20/48/07/392204807.db2.gz HRTMHBLZKHZOPM-QGZVFWFLSA-N 1 0 267.376 3.120 40 0 CGABRO CC(C)[N@H+](CCO)Cc1cccc(Cl)c1Cl ZINC000079420688 392220132 /nfs/dbraw/zinc/22/01/32/392220132.db2.gz VPULCGMTSYRAKM-UHFFFAOYSA-N 1 0 262.180 3.196 40 0 CGABRO CC(C)[C@H]([NH3+])C(=O)N([C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC000079418702 392220457 /nfs/dbraw/zinc/22/04/57/392220457.db2.gz JCBJRGNWFQYXDM-NHYWBVRUSA-N 1 0 294.826 3.375 40 0 CGABRO CC(C)=CC[N@@H+]1CCC[C@@H](n2c(=O)oc3ccccc32)C1 ZINC000012219409 397604272 /nfs/dbraw/zinc/60/42/72/397604272.db2.gz SKDLJRYCCFRNBX-CQSZACIVSA-N 1 0 286.375 3.198 40 0 CGABRO CC(C)(COC(=O)c1ccc(N)cc1)[NH2+]C1CCCCC1 ZINC000001709773 169747587 /nfs/dbraw/zinc/74/75/87/169747587.db2.gz GINKCLNLECBRLR-UHFFFAOYSA-N 1 0 290.407 3.127 40 0 CGABRO Cc1c2ccccc2oc1C(=O)O[C@H](C)[C@@H](C)C[NH+](C)C ZINC000003066411 169851867 /nfs/dbraw/zinc/85/18/67/169851867.db2.gz RJPLRBLTTQHUCK-WCQYABFASA-N 1 0 289.375 3.484 40 0 CGABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCC1 ZINC000007923727 170308013 /nfs/dbraw/zinc/30/80/13/170308013.db2.gz XVYNNIASIOFOQE-UHFFFAOYSA-N 1 0 286.419 3.089 40 0 CGABRO COc1cc(C=O)ccc1OCCC[NH+]1CCC(C)CC1 ZINC000008731567 170351288 /nfs/dbraw/zinc/35/12/88/170351288.db2.gz WVHZEBGTYJEJTE-UHFFFAOYSA-N 1 0 291.391 3.009 40 0 CGABRO Cc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccccc3F)cc2c1 ZINC000013998931 170615201 /nfs/dbraw/zinc/61/52/01/170615201.db2.gz GMEVRYCKFGQYQP-UHFFFAOYSA-N 1 0 296.345 3.265 40 0 CGABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000033534403 171813111 /nfs/dbraw/zinc/81/31/11/171813111.db2.gz OHDMBSYWCBGUMT-LISAXSMJSA-N 1 0 295.467 3.065 40 0 CGABRO FC(F)(F)c1cnc(NC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000040434999 174261134 /nfs/dbraw/zinc/26/11/34/174261134.db2.gz JEOYNPTWXHGHRT-MRVPVSSYSA-N 1 0 293.720 3.165 40 0 CGABRO C[C@@H]([NH3+])c1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000071614208 176233524 /nfs/dbraw/zinc/23/35/24/176233524.db2.gz XEQUWHVSDLOFGR-SNVBAGLBSA-N 1 0 260.337 3.444 40 0 CGABRO c1cn(-c2cccc([C@@H]3CCC[N@H+]3C3CCCC3)n2)cn1 ZINC000072355517 176374757 /nfs/dbraw/zinc/37/47/57/176374757.db2.gz DVEOHQCMAZLYHO-INIZCTEOSA-N 1 0 282.391 3.347 40 0 CGABRO Cc1nccn1-c1cccc(C2CC[NH+](C(C)C)CC2)n1 ZINC000072355682 176374957 /nfs/dbraw/zinc/37/49/57/176374957.db2.gz KIVAPYLJUIMNCO-UHFFFAOYSA-N 1 0 284.407 3.164 40 0 CGABRO C[N@@H+]1CCC[C@@H](c2ccnc(Nc3ccccn3)c2)C1 ZINC000072364720 176379716 /nfs/dbraw/zinc/37/97/16/176379716.db2.gz HOHMQSMIZHSTHM-CQSZACIVSA-N 1 0 268.364 3.029 40 0 CGABRO Cc1cncc([C@H]2CCC[N@H+](Cc3ccsc3)C2)n1 ZINC000072369407 176384250 /nfs/dbraw/zinc/38/42/50/176384250.db2.gz FTVVUQPQVGUCMQ-AWEZNQCLSA-N 1 0 273.405 3.226 40 0 CGABRO Cc1ccccc1-c1cnc([C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000072382914 176388041 /nfs/dbraw/zinc/38/80/41/176388041.db2.gz OZLRUAYUIVFFMW-CQSZACIVSA-N 1 0 267.376 3.261 40 0 CGABRO Cc1nc(Nc2nccs2)cc([C@@H]2CCCC[N@H+]2C)n1 ZINC000072382618 176388301 /nfs/dbraw/zinc/38/83/01/176388301.db2.gz AONUSXSUBICDCE-LBPRGKRZSA-N 1 0 289.408 3.142 40 0 CGABRO Fc1ccc(-c2ccnc(C3CC[NH2+]CC3)c2)cc1F ZINC000072386773 176392171 /nfs/dbraw/zinc/39/21/71/176392171.db2.gz IBRTWRAZMYGBFJ-UHFFFAOYSA-N 1 0 274.314 3.494 40 0 CGABRO Cc1ccc(Cc2cc([C@H]3CCC[NH2+]3)nc(C)n2)cc1 ZINC000072386831 176392220 /nfs/dbraw/zinc/39/22/20/176392220.db2.gz DIIBETQACVYMNS-MRXNPFEDSA-N 1 0 267.376 3.109 40 0 CGABRO CC(C)C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000049155383 416467787 /nfs/dbraw/zinc/46/77/87/416467787.db2.gz WJLBONKWRDIUTC-ZDUSSCGKSA-N 1 0 290.342 3.064 40 0 biogenic,in-vitro CGABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1cc[n+](C)cc1 ZINC000005496294 275709363 /nfs/dbraw/zinc/70/93/63/275709363.db2.gz IMVRZOOWTJNONJ-NUEKZKHPSA-N 1 0 276.400 3.129 40 0 CGABRO CC1=C[C@@H](C)[C@@H]([C@@H]2OC[C@H](C[NH+]3CCCCC3)O2)[C@H](C)C1 ZINC000101786876 276184242 /nfs/dbraw/zinc/18/42/42/276184242.db2.gz RJXDBTDFBZRPHG-UYTYNIKBSA-N 1 0 293.451 3.452 40 0 CGABRO CC[n+]1cccc(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000226774602 276656349 /nfs/dbraw/zinc/65/63/49/276656349.db2.gz WJBHUDOZIPPPOV-UHFFFAOYSA-N 1 0 253.325 3.419 40 0 CGABRO C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@@H+]2CC1CC1 ZINC000000001227 278105018 /nfs/dbraw/zinc/10/50/18/278105018.db2.gz YQYVFVRQLZMJKJ-NXOUGTEYSA-N 1 0 271.404 3.326 40 0 in-man CGABRO CC[NH+]1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2 ZINC000165029271 279262971 /nfs/dbraw/zinc/26/29/71/279262971.db2.gz GRQYMFCUMPDDHJ-UHFFFAOYSA-N 1 0 279.767 3.160 40 0 CGABRO Cc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H](C)O)cc1 ZINC000001666302 301801318 /nfs/dbraw/zinc/80/13/18/301801318.db2.gz YOEGRQBPLQTJFF-YJBOKZPZSA-N 1 0 269.388 3.249 40 0 CGABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccco3)C[C@H]12 ZINC000096058412 185079402 /nfs/dbraw/zinc/07/94/02/185079402.db2.gz ACSZNQVPNYRNTG-RBUKOAKNSA-N 1 0 296.414 3.127 40 0 CGABRO CN(C)Cc1ccnc([C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000257309808 282149968 /nfs/dbraw/zinc/14/99/68/282149968.db2.gz UCLOZOKLYSWYAY-INIZCTEOSA-N 1 0 288.439 3.008 40 0 CGABRO CCC(CC)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000067801232 282185483 /nfs/dbraw/zinc/18/54/83/282185483.db2.gz RVIVEGRDLGQNDF-UHFFFAOYSA-N 1 0 284.444 3.412 40 0 CGABRO Cc1nc(N2Cc3ccccc3C[C@H]2C)cc(NC2CC2)[nH+]1 ZINC000329013544 136377269 /nfs/dbraw/zinc/37/72/69/136377269.db2.gz MQKSPQZMLNFRKG-GFCCVEGCSA-N 1 0 294.402 3.311 40 0 CGABRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2)c[nH]c1=O ZINC000072217948 345406392 /nfs/dbraw/zinc/40/63/92/345406392.db2.gz AEVUDZXWGJDDEX-MRXNPFEDSA-N 1 0 268.360 3.020 40 0 CGABRO Clc1ccccc1-c1n[nH]c2c1[C@@H]1CC[C@H](C2)[NH2+]1 ZINC000096510283 345903078 /nfs/dbraw/zinc/90/30/78/345903078.db2.gz DOINDORTQIVRBG-KCJUWKMLSA-N 1 0 259.740 3.079 40 0 CGABRO Fc1ccc2ncc(-c3cccc([C@H]4CCC[NH2+]C4)n3)n2c1 ZINC000585263239 346725854 /nfs/dbraw/zinc/72/58/54/346725854.db2.gz RDTWOHNBHPZNJJ-LBPRGKRZSA-N 1 0 296.349 3.002 40 0 CGABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3ccc4[nH]ccc4c3)C2)n1 ZINC000585181423 346725904 /nfs/dbraw/zinc/72/59/04/346725904.db2.gz DQXCGGHHHOBFNX-OAHLLOKOSA-N 1 0 280.375 3.189 40 0 CGABRO Clc1ccc2c(c1)[C@@H]1OCCC[C@H]1C1(CC[NH2+]CC1)O2 ZINC000585263562 346726049 /nfs/dbraw/zinc/72/60/49/346726049.db2.gz PBEMRJBSIICGPH-HIFRSBDPSA-N 1 0 293.794 3.322 40 0 CGABRO Cc1cc2ccccc2c[n+]1C[C@@H](O)c1ccccc1 ZINC000001641238 368426063 /nfs/dbraw/zinc/42/60/63/368426063.db2.gz MHFRQQNCOXACHO-GOSISDBHSA-N 1 0 264.348 3.169 40 0 CGABRO O[C@@H](c1c(Cl)cccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000001706318 368433010 /nfs/dbraw/zinc/43/30/10/368433010.db2.gz VNWCXEQFYINONO-ZYHUDNBSSA-N 1 0 260.164 3.169 40 0 CGABRO CCCCn1c(N)[nH+]cc1-c1ccc(OCC)cc1 ZINC000004679422 368556047 /nfs/dbraw/zinc/55/60/47/368556047.db2.gz DJVFONKJWCJZJJ-UHFFFAOYSA-N 1 0 259.353 3.331 40 0 CGABRO Cc1ccc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000019889613 368775636 /nfs/dbraw/zinc/77/56/36/368775636.db2.gz CCNVHRBCYYZZLC-IPMKNSEASA-N 1 0 284.447 3.301 40 0 CGABRO CC[C@H](C)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000019881865 368775140 /nfs/dbraw/zinc/77/51/40/368775140.db2.gz ARIWKJUTOKFGKU-QMMMGPOBSA-N 1 0 288.185 3.051 40 0 CGABRO C[NH+](C)CCN(Cc1cccs1)Cc1ccccc1F ZINC000023247836 368818084 /nfs/dbraw/zinc/81/80/84/368818084.db2.gz UXQWUVGQTDRHNX-UHFFFAOYSA-N 1 0 292.423 3.451 40 0 CGABRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)c1C ZINC000026780519 368863683 /nfs/dbraw/zinc/86/36/83/368863683.db2.gz ZDVNGNUZRJZLAN-SJLPKXTDSA-N 1 0 299.414 3.394 40 0 CGABRO c1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000026898122 368866937 /nfs/dbraw/zinc/86/69/37/368866937.db2.gz HMGDLYUTYLPXDR-KRWDZBQOSA-N 1 0 253.345 3.340 40 0 CGABRO c1cncc(-c2nnc([C@H]3CC[N@@H+](C4CCCCC4)C3)o2)c1 ZINC000049169656 369390937 /nfs/dbraw/zinc/39/09/37/369390937.db2.gz DQLGVMSAGWOOQC-AWEZNQCLSA-N 1 0 298.390 3.254 40 0 biogenic,in-vitro CGABRO CC(C)(C)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000068117935 369738337 /nfs/dbraw/zinc/73/83/37/369738337.db2.gz UEOCRVZQDTUWNL-MRXNPFEDSA-N 1 0 288.435 3.061 40 0 CGABRO Cc1cc(C)nc([C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000072381089 369818029 /nfs/dbraw/zinc/81/80/29/369818029.db2.gz HEVYTQPSLUXYRQ-AWEZNQCLSA-N 1 0 259.397 3.215 40 0 CGABRO OC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000070453072 369799717 /nfs/dbraw/zinc/79/97/17/369799717.db2.gz YDKXUUMQZUDEPO-CYBMUJFWSA-N 1 0 273.298 3.225 40 0 CGABRO C[NH2+][C@H]1CCCC[C@@H]1N(Cc1ccccc1)C(C)C ZINC000079437974 369969127 /nfs/dbraw/zinc/96/91/27/369969127.db2.gz JDKQBFSTIDIKID-IRXDYDNUSA-N 1 0 260.425 3.428 40 0 CGABRO CCN(C)c1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072212779 284371832 /nfs/dbraw/zinc/37/18/32/284371832.db2.gz PCEXXCNJOQGHMG-HNNXBMFYSA-N 1 0 261.413 3.331 40 0 CGABRO COc1ccc(C[NH2+]Cc2cn(C(C)C)nc2C)cc1 ZINC000256051792 190003888 /nfs/dbraw/zinc/00/38/88/190003888.db2.gz KMYWRGJMWGVETD-UHFFFAOYSA-N 1 0 273.380 3.071 40 0 CGABRO Clc1cccc(-c2cncc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000257197888 190010061 /nfs/dbraw/zinc/01/00/61/190010061.db2.gz MJDOLRSEENCGLF-GFCCVEGCSA-N 1 0 273.767 3.264 40 0 CGABRO C[C@@H]([NH3+])COc1ccc(F)cc1Oc1ccccc1 ZINC000257207641 190012270 /nfs/dbraw/zinc/01/22/70/190012270.db2.gz BIOQYVACKHLHFE-LLVKDONJSA-N 1 0 261.296 3.344 40 0 CGABRO CC(C)n1nccc1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC000257214082 190012863 /nfs/dbraw/zinc/01/28/63/190012863.db2.gz CKLFVVRFKHSTKQ-UHFFFAOYSA-N 1 0 298.434 3.314 40 0 CGABRO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)n1 ZINC000257266614 190023454 /nfs/dbraw/zinc/02/34/54/190023454.db2.gz MDSGOVNPTILQDC-ZDUSSCGKSA-N 1 0 291.345 3.376 40 0 CGABRO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257259115 190021251 /nfs/dbraw/zinc/02/12/51/190021251.db2.gz KWWVGCZXYHOBEQ-MRXNPFEDSA-N 1 0 267.376 3.165 40 0 CGABRO Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCCC[N@@H+]2C)n1 ZINC000257291624 190027987 /nfs/dbraw/zinc/02/79/87/190027987.db2.gz QHXCLEGMLNFYJN-MRXNPFEDSA-N 1 0 299.422 3.386 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H](c2cncc(-c3cncs3)n2)C1 ZINC000257339503 190037263 /nfs/dbraw/zinc/03/72/63/190037263.db2.gz ZCAAMFQIJNWKSA-GFCCVEGCSA-N 1 0 288.420 3.188 40 0 CGABRO COc1cccc(NC[C@@H](C)[NH2+]Cc2ccccc2)c1 ZINC000212415043 376137397 /nfs/dbraw/zinc/13/73/97/376137397.db2.gz OBRCVGPSHAITEE-CQSZACIVSA-N 1 0 270.376 3.285 40 0 CGABRO CC[NH+]1CCC2(CC1)CC(=O)c1cccc(Cl)c1O2 ZINC000225827898 376328464 /nfs/dbraw/zinc/32/84/64/376328464.db2.gz QWLYENZLONLFMQ-UHFFFAOYSA-N 1 0 279.767 3.160 40 0 CGABRO COCCC[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000225161314 376296476 /nfs/dbraw/zinc/29/64/76/376296476.db2.gz YZPFOWBHFKOCSL-CYBMUJFWSA-N 1 0 251.370 3.161 40 0 CGABRO Cc1cc([C@H](C)NC2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000282874401 380005158 /nfs/dbraw/zinc/00/51/58/380005158.db2.gz VJPPWEPSARJEBZ-HNNXBMFYSA-N 1 0 299.418 3.298 40 0 CGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(C)C)nc1C ZINC000072218745 256708318 /nfs/dbraw/zinc/70/83/18/256708318.db2.gz YCDCQONKHUWMPG-OAHLLOKOSA-N 1 0 261.413 3.393 40 0 CGABRO CCN(C)c1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072212736 392198837 /nfs/dbraw/zinc/19/88/37/392198837.db2.gz UEAFOKQDTMUAPA-HNNXBMFYSA-N 1 0 261.413 3.473 40 0 CGABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1NC1CC1 ZINC000072222777 392201811 /nfs/dbraw/zinc/20/18/11/392201811.db2.gz ZTGFDIXQJFEDRE-HNNXBMFYSA-N 1 0 253.349 3.012 40 0 CGABRO C[NH2+]Cc1cnc(SCc2ccccc2)c(C)c1 ZINC000072222422 392201970 /nfs/dbraw/zinc/20/19/70/392201970.db2.gz ZWOIPUDZBKOPAE-UHFFFAOYSA-N 1 0 258.390 3.402 40 0 CGABRO Cc1nc(N2CCCC2)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224528 392204267 /nfs/dbraw/zinc/20/42/67/392204267.db2.gz DBDUYVHONBSTTL-KRWDZBQOSA-N 1 0 267.376 3.038 40 0 CGABRO Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082323880 392223077 /nfs/dbraw/zinc/22/30/77/392223077.db2.gz OOAOQYUOZFELGT-AWEZNQCLSA-N 1 0 274.408 3.399 40 0 CGABRO CC(C)[N@@H+]1CCc2nc(Cl)c(Br)cc2C1 ZINC000096510618 392257913 /nfs/dbraw/zinc/25/79/13/392257913.db2.gz ZQXPFWLUTUEINC-UHFFFAOYSA-N 1 0 289.604 3.264 40 0 CGABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]([NH3+])C(C)(C)C ZINC000072208712 397640108 /nfs/dbraw/zinc/64/01/08/397640108.db2.gz VJANFPNTCOWLKL-NEPJUHHUSA-N 1 0 270.417 3.149 40 0 CGABRO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@H]([NH3+])c1ccccc1 ZINC000072208964 397640257 /nfs/dbraw/zinc/64/02/57/397640257.db2.gz JIMJVFSLVVNKKW-ZIAGYGMSSA-N 1 0 278.396 3.236 40 0 CGABRO C[N@H+]1[C@@H]2CC[C@H]1CC(Sc1cccc(Cl)n1)C2 ZINC000005675074 170126658 /nfs/dbraw/zinc/12/66/58/170126658.db2.gz RNGBJEDKBKCFEJ-ZACCUICWSA-N 1 0 268.813 3.452 40 0 CGABRO C[C@@H]([NH2+]CCC(=O)OCc1ccccc1)c1ccccc1 ZINC000005920632 170155574 /nfs/dbraw/zinc/15/55/74/170155574.db2.gz HHRYGVBUJSCNED-OAHLLOKOSA-N 1 0 283.371 3.471 40 0 CGABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+][C@H](CC)CO ZINC000008327050 170331303 /nfs/dbraw/zinc/33/13/03/170331303.db2.gz UTDIICDUBHHJJG-LLVKDONJSA-N 1 0 292.206 3.253 40 0 CGABRO C[NH+](C)CCCNCc1ccc(OCc2ccccc2)cc1 ZINC000008373869 170333303 /nfs/dbraw/zinc/33/33/03/170333303.db2.gz JUHXETSKLALPHE-UHFFFAOYSA-N 1 0 298.430 3.307 40 0 CGABRO COc1cc(C=O)ccc1OCCC[N@@H+]1CCCC[C@@H]1C ZINC000008731554 170351253 /nfs/dbraw/zinc/35/12/53/170351253.db2.gz YDSXYOFZQQVXGL-AWEZNQCLSA-N 1 0 291.391 3.151 40 0 CGABRO COCCC[NH2+]Cc1cccn1Cc1ccccc1Cl ZINC000035293100 172105826 /nfs/dbraw/zinc/10/58/26/172105826.db2.gz GLXBYELSUJHKSQ-UHFFFAOYSA-N 1 0 292.810 3.316 40 0 CGABRO [NH3+]C[C@H](c1ccc(OCc2ccccc2)cc1)N1CCCC1 ZINC000039789199 174173731 /nfs/dbraw/zinc/17/37/31/174173731.db2.gz SAHMBTSGZRHQJZ-LJQANCHMSA-N 1 0 296.414 3.361 40 0 CGABRO CC(C)Cn1c2ccc(Cl)cc2nc1CCC[NH3+] ZINC000040417753 174256312 /nfs/dbraw/zinc/25/63/12/174256312.db2.gz OCPCBUWLLYKYSH-UHFFFAOYSA-N 1 0 265.788 3.237 40 0 CGABRO Clc1ccc(Cl)c(COC[C@H]2CCC[NH2+]2)c1 ZINC000072203607 176341690 /nfs/dbraw/zinc/34/16/90/176341690.db2.gz CWKMDSDEPXUUQC-LLVKDONJSA-N 1 0 260.164 3.262 40 0 CGABRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]([NH3+])c2ccccc2)C1 ZINC000072208758 176342691 /nfs/dbraw/zinc/34/26/91/176342691.db2.gz WZTOZCUIWGDBRT-HUUCEWRRSA-N 1 0 290.407 3.334 40 0 CGABRO CSc1ccc(-c2noc(CC3CC[NH2+]CC3)n2)cc1 ZINC000072226853 176343160 /nfs/dbraw/zinc/34/31/60/176343160.db2.gz CLPVNPWEZWWEQS-UHFFFAOYSA-N 1 0 289.404 3.001 40 0 CGABRO Fc1ccc(-c2cccc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000072356394 176375789 /nfs/dbraw/zinc/37/57/89/176375789.db2.gz KNKVTHFHZCGHNK-ZDUSSCGKSA-N 1 0 256.324 3.355 40 0 CGABRO Fc1ccc(Cc2nccnc2C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000072363329 176377567 /nfs/dbraw/zinc/37/75/67/176377567.db2.gz GHFOLPGTJPXJPU-CQSZACIVSA-N 1 0 299.393 3.139 40 0 CGABRO c1ccc(CCNc2cccc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000072364919 176380027 /nfs/dbraw/zinc/38/00/27/176380027.db2.gz NCBCLZWDBAOJLK-MRXNPFEDSA-N 1 0 281.403 3.203 40 0 CGABRO Cc1ccccc1-c1cnc([C@H]2CCC[N@@H+](C)C2)cn1 ZINC000072382915 176387956 /nfs/dbraw/zinc/38/79/56/176387956.db2.gz OZLRUAYUIVFFMW-AWEZNQCLSA-N 1 0 267.376 3.261 40 0 CGABRO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ccncn2)cc1 ZINC000072384982 176388768 /nfs/dbraw/zinc/38/87/68/176388768.db2.gz QQJLXXIZSBLTPX-KRWDZBQOSA-N 1 0 283.375 3.212 40 0 CGABRO CCOC(=O)c1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000685937077 544109453 /nfs/dbraw/zinc/10/94/53/544109453.db2.gz ITBXPYCBFJILGK-UHFFFAOYSA-N 1 0 269.344 3.153 40 0 CGABRO Cc1ccsc1C[NH2+]CCCNc1nc(C)cc(C)n1 ZINC000062717897 262301862 /nfs/dbraw/zinc/30/18/62/262301862.db2.gz OKLZPRUCIPSUAY-UHFFFAOYSA-N 1 0 290.436 3.055 40 0 CGABRO c1cc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)ccn1 ZINC000096241714 265346137 /nfs/dbraw/zinc/34/61/37/265346137.db2.gz KRDKFGFTLFHCHO-UHFFFAOYSA-N 1 0 264.372 3.316 40 0 CGABRO CC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)[C@H]2CCCC[C@H]21 ZINC000013118909 278222561 /nfs/dbraw/zinc/22/25/61/278222561.db2.gz TYRBZUUHADCCGQ-SQNIBIBYSA-N 1 0 287.403 3.339 40 0 CGABRO Cc1ccc2c(c1)cc(C[NH2+]C1CCCCC1)c1nnnn12 ZINC000012644830 327783497 /nfs/dbraw/zinc/78/34/97/327783497.db2.gz ZMWONFBDMPUDAQ-UHFFFAOYSA-N 1 0 295.390 3.008 40 0 CGABRO c1ccc(C(c2ccccc2)[NH+]2CC3(COC3)C2)cc1 ZINC000095937735 185034435 /nfs/dbraw/zinc/03/44/35/185034435.db2.gz UELLYEOACSTMMS-UHFFFAOYSA-N 1 0 265.356 3.108 40 0 CGABRO CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cccs1)CCO2 ZINC000096051866 185074203 /nfs/dbraw/zinc/07/42/03/185074203.db2.gz XJAOLUOYIZFNAN-GOEBONIOSA-N 1 0 295.448 3.156 40 0 CGABRO [NH3+]CC[C@@H](Cc1nc2ccccc2s1)C(F)(F)F ZINC000256050532 346398926 /nfs/dbraw/zinc/39/89/26/346398926.db2.gz FJSDOCPVMLYIAU-QMMMGPOBSA-N 1 0 274.311 3.366 40 0 CGABRO Clc1ccc2ncc(-c3cc([C@@H]4CCC[NH2+]4)ccn3)n2c1 ZINC000585262888 346726154 /nfs/dbraw/zinc/72/61/54/346726154.db2.gz CGTNAYJWDIQUEM-ZDUSSCGKSA-N 1 0 298.777 3.474 40 0 CGABRO CC[C@@](O)(c1ccccc1)[C@H](C)C[NH+]1CCCCC1 ZINC000001641270 368426367 /nfs/dbraw/zinc/42/63/67/368426367.db2.gz DQARXIRSJUEDFK-WBVHZDCISA-N 1 0 261.409 3.406 40 0 CGABRO C[C@H](c1ccccc1)[C@@H]([NH2+]CCO)c1ccccc1 ZINC000001666280 368427408 /nfs/dbraw/zinc/42/74/08/368427408.db2.gz KNEGDSSMOSXWRT-RHSMWYFYSA-N 1 0 255.361 3.113 40 0 CGABRO c1cncc(C[NH+]2CCC(c3ccc4c(c3)OCO4)CC2)c1 ZINC000012113977 368603658 /nfs/dbraw/zinc/60/36/58/368603658.db2.gz OTBIPZAHXKSNSO-UHFFFAOYSA-N 1 0 296.370 3.190 40 0 CGABRO CC[NH+](CC)Cc1ccc(I)cc1 ZINC000016123596 368707281 /nfs/dbraw/zinc/70/72/81/368707281.db2.gz WJWOTXQWEYQVBS-UHFFFAOYSA-N 1 0 289.160 3.133 40 0 CGABRO CN1C(=[NH2+])NC(c2ccccc2)=C[C@@]1(C)c1ccccc1 ZINC000016940032 368722897 /nfs/dbraw/zinc/72/28/97/368722897.db2.gz IKDIBMMUVRXPGJ-SFHVURJKSA-N 1 0 277.371 3.203 40 0 CGABRO OCC[N@H+](Cc1cccs1)Cc1ccc(F)c(F)c1 ZINC000013997463 368672713 /nfs/dbraw/zinc/67/27/13/368672713.db2.gz NJYPAJQUXJZYQS-UHFFFAOYSA-N 1 0 283.343 3.021 40 0 CGABRO CCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000035818593 369005773 /nfs/dbraw/zinc/00/57/73/369005773.db2.gz OSHMMUJQQMJSEO-UHFFFAOYSA-N 1 0 274.408 3.058 40 0 CGABRO CC(C)Cn1c2ccc(Cl)cc2nc1[C@H](C)[NH3+] ZINC000040417748 369154756 /nfs/dbraw/zinc/15/47/56/369154756.db2.gz OHLRKBZXMIOCEH-VIFPVBQESA-N 1 0 251.761 3.365 40 0 CGABRO Cc1ccc(C(=O)[C@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000041608284 369192858 /nfs/dbraw/zinc/19/28/58/369192858.db2.gz KWHZRPBDEAQYDE-AWEZNQCLSA-N 1 0 253.345 3.356 40 0 in-vitro CGABRO Cc1nnc([C@H]2CC[N@H+](Cc3ccccc3Cl)C2)o1 ZINC000049169171 369391267 /nfs/dbraw/zinc/39/12/67/369391267.db2.gz BHMRXFAEWZSYRV-LBPRGKRZSA-N 1 0 277.755 3.021 40 0 biogenic,in-vitro CGABRO CC(C)[N@@H+]1CC[C@H](c2nnc(-c3ccccc3F)o2)C1 ZINC000049170581 369391284 /nfs/dbraw/zinc/39/12/84/369391284.db2.gz VSCIKWAZMIHZAP-NSHDSACASA-N 1 0 275.327 3.073 40 0 biogenic,in-vitro CGABRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000067800949 369730018 /nfs/dbraw/zinc/73/00/18/369730018.db2.gz CHEMJXXSYPKSTH-CQSZACIVSA-N 1 0 282.428 3.166 40 0 CGABRO CC(C)Cc1cc(CC2([NH2+]C3CCCCC3)COC2)no1 ZINC000067898212 369735072 /nfs/dbraw/zinc/73/50/72/369735072.db2.gz YDRHHNUNOQSQKH-UHFFFAOYSA-N 1 0 292.423 3.107 40 0 biogenic,in-vitro CGABRO CN(C)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000071711603 369808256 /nfs/dbraw/zinc/80/82/56/369808256.db2.gz MNZZYCKLGBUZEF-UHFFFAOYSA-N 1 0 295.430 3.075 40 0 CGABRO C[C@](CO)(c1ccccc1Cl)[NH+]1CCCCC1 ZINC000070453429 369799369 /nfs/dbraw/zinc/79/93/69/369799369.db2.gz QYPPYSKWZCMIKW-AWEZNQCLSA-N 1 0 253.773 3.033 40 0 CGABRO CCc1ccc2oc(C3=CC[N@H+](CC)CC3)nc2c1 ZINC000073635989 369863285 /nfs/dbraw/zinc/86/32/85/369863285.db2.gz PDAQQNVSODUZRE-UHFFFAOYSA-N 1 0 256.349 3.499 40 0 CGABRO COc1ccc(C2(c3ccc(OC)cc3)CC[NH2+]CC2)cc1 ZINC000079031157 369960037 /nfs/dbraw/zinc/96/00/37/369960037.db2.gz BXWPWSIQHONFAO-UHFFFAOYSA-N 1 0 297.398 3.373 40 0 CGABRO C[NH+](C)CCOc1ccc(NC(=O)C2(C)CCCC2)cc1 ZINC000079380073 369967635 /nfs/dbraw/zinc/96/76/35/369967635.db2.gz HGLRXRHZIRLLCG-UHFFFAOYSA-N 1 0 290.407 3.146 40 0 CGABRO c1ccc2c3nc(C4CC[NH2+]CC4)oc3ccc2c1 ZINC000075869557 369919460 /nfs/dbraw/zinc/91/94/60/369919460.db2.gz IHRWHUQIRODYCY-UHFFFAOYSA-N 1 0 252.317 3.448 40 0 CGABRO COc1cccc2c1ncc(C)c2N1CCC([NH+](C)C)CC1 ZINC000302632144 373910956 /nfs/dbraw/zinc/91/09/56/373910956.db2.gz JLYAEMKSHZUSEE-UHFFFAOYSA-N 1 0 299.418 3.082 40 0 CGABRO CC(C)[NH+]1CCC(Cc2cccnc2-c2ccnn2C)CC1 ZINC000257201973 190010563 /nfs/dbraw/zinc/01/05/63/190010563.db2.gz AJWUTRMWGFSOLU-UHFFFAOYSA-N 1 0 298.434 3.145 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 ZINC000257205185 190011590 /nfs/dbraw/zinc/01/15/90/190011590.db2.gz AXZWYDLZJOOKQA-HNNXBMFYSA-N 1 0 284.407 3.135 40 0 CGABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)s1 ZINC000257216191 190014090 /nfs/dbraw/zinc/01/40/90/190014090.db2.gz CTNGCQUTTKCLQC-CYBMUJFWSA-N 1 0 273.405 3.226 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H](Cc2ccc(-c3ccnn3C)nc2)C1 ZINC000257221226 190014740 /nfs/dbraw/zinc/01/47/40/190014740.db2.gz DOAYQEIOAZLFSN-MRXNPFEDSA-N 1 0 298.434 3.145 40 0 CGABRO [NH3+][C@H]1CC[C@H](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000257291747 190027559 /nfs/dbraw/zinc/02/75/59/190027559.db2.gz QILJBROMKNMSBA-HOMQSWHASA-N 1 0 258.287 3.160 40 0 CGABRO CC(C)c1nccn1-c1ccnc([C@H]2CCC[N@H+](C)C2)c1 ZINC000257293098 190028820 /nfs/dbraw/zinc/02/88/20/190028820.db2.gz QOCNTJMKSXSVGV-AWEZNQCLSA-N 1 0 284.407 3.200 40 0 CGABRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC000217782488 376179153 /nfs/dbraw/zinc/17/91/53/376179153.db2.gz CQXSLHLPNXBOTN-HIFRSBDPSA-N 1 0 290.407 3.252 40 0 CGABRO FC(F)(F)c1ccc(N2CC[NH2+][C@H]3CCCC[C@@H]32)cc1 ZINC000225714147 376321605 /nfs/dbraw/zinc/32/16/05/376321605.db2.gz XVURUWLGVOZVRS-KBPBESRZSA-N 1 0 284.325 3.426 40 0 CGABRO CC[C@H](C)Oc1cccc([C@H](C)[NH2+]CCOC)c1 ZINC000225166539 376297466 /nfs/dbraw/zinc/29/74/66/376297466.db2.gz WGJOCJASYBSMEE-STQMWFEESA-N 1 0 251.370 3.161 40 0 CGABRO CCC(=O)O[C@@]1(c2ccccc2)[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000245333871 376802263 /nfs/dbraw/zinc/80/22/63/376802263.db2.gz BNLWVZWKDILPMJ-HALDLXJZSA-N 1 0 275.392 3.053 40 0 CGABRO Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](C)O)cc1 ZINC000001666301 391913675 /nfs/dbraw/zinc/91/36/75/391913675.db2.gz YOEGRQBPLQTJFF-MAUKXSAKSA-N 1 0 269.388 3.249 40 0 CGABRO CO[C@H]1CCCC[C@@H]1OC(=O)C[N@H+](C)C1CCCCCC1 ZINC000005748904 391925553 /nfs/dbraw/zinc/92/55/53/391925553.db2.gz OZYVLMYWJFRCQM-HOTGVXAUSA-N 1 0 297.439 3.142 40 0 CGABRO c1ccc(COc2ncccc2[C@H]2CCCC[NH2+]2)cc1 ZINC000072212092 392197014 /nfs/dbraw/zinc/19/70/14/392197014.db2.gz MJAWBLCXSLNBRA-MRXNPFEDSA-N 1 0 268.360 3.475 40 0 CGABRO CCN(CC)c1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC000072212852 392198606 /nfs/dbraw/zinc/19/86/06/392198606.db2.gz TYAKUJPPVOVIMR-OAHLLOKOSA-N 1 0 261.413 3.475 40 0 CGABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1NC(C)C ZINC000072221974 392201777 /nfs/dbraw/zinc/20/17/77/392201777.db2.gz ZMMVBXABBUJKCM-OAHLLOKOSA-N 1 0 255.365 3.258 40 0 CGABRO Cc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCCCC2)COC1 ZINC000096112808 392245204 /nfs/dbraw/zinc/24/52/04/392245204.db2.gz HTJMASJCERTNSC-HNNXBMFYSA-N 1 0 299.418 3.338 40 0 biogenic,in-vitro CGABRO Fc1ccc(-c2ncnc3c2CC[N@H+](CC2CC2)CC3)cc1 ZINC000096058710 392245298 /nfs/dbraw/zinc/24/52/98/392245298.db2.gz QUPPOAXOMBBCOE-UHFFFAOYSA-N 1 0 297.377 3.093 40 0 CGABRO Nc1cc(Cl)c(NCC[NH+]2CCCC2)c(Cl)c1 ZINC000096524273 392257715 /nfs/dbraw/zinc/25/77/15/392257715.db2.gz MOMFZUQWJFCNEP-UHFFFAOYSA-N 1 0 274.195 3.083 40 0 CGABRO c1cc2cc(C[C@@H]3COCC[N@@H+](CC4CC4)C3)ccc2[nH]1 ZINC000257322455 393135740 /nfs/dbraw/zinc/13/57/40/393135740.db2.gz WGBQEPBPWVRYGF-INIZCTEOSA-N 1 0 284.403 3.069 40 0 CGABRO NC(=[NH2+])S[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004804706 170020073 /nfs/dbraw/zinc/02/00/73/170020073.db2.gz AOFSDZCUCXKNOZ-ZIAGYGMSSA-N 1 0 272.373 3.088 40 0 CGABRO Cc1cccc(C)c1OC[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000005186738 170074867 /nfs/dbraw/zinc/07/48/67/170074867.db2.gz CLXJBSWMGNPNLE-YESZJQIVSA-N 1 0 291.435 3.306 40 0 CGABRO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1ccccc1 ZINC000005721669 170133156 /nfs/dbraw/zinc/13/31/56/170133156.db2.gz KCGKAZUFEIHZOP-MAUKXSAKSA-N 1 0 269.388 3.331 40 0 CGABRO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1ccccc1 ZINC000005722995 170133317 /nfs/dbraw/zinc/13/33/17/170133317.db2.gz KCGKAZUFEIHZOP-CRAIPNDOSA-N 1 0 269.388 3.331 40 0 CGABRO CC[C@]12CC[C@@H](O)[C@@H]1[N@H+](C)CC[C@@H]2Sc1ccccc1 ZINC000005808193 170142037 /nfs/dbraw/zinc/14/20/37/170142037.db2.gz KXKOAQZKAXUINI-LTIDMASMSA-N 1 0 291.460 3.403 40 0 CGABRO CC[C@]12CC[C@H](O)[C@@H]1[N@H+](C)CC[C@@H]2Sc1ccccc1 ZINC000005808191 170142101 /nfs/dbraw/zinc/14/21/01/170142101.db2.gz KXKOAQZKAXUINI-LUKYLMHMSA-N 1 0 291.460 3.403 40 0 CGABRO C[NH2+]CCCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008377149 170333655 /nfs/dbraw/zinc/33/36/55/170333655.db2.gz ZBVILPXCCNECMB-UHFFFAOYSA-N 1 0 278.783 3.299 40 0 CGABRO COCCC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000020142617 171028616 /nfs/dbraw/zinc/02/86/16/171028616.db2.gz WUPLMKYOHNKMQZ-CYBMUJFWSA-N 1 0 251.370 3.161 40 0 CGABRO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCCC1 ZINC000024189748 171432803 /nfs/dbraw/zinc/43/28/03/171432803.db2.gz BPDZHFAJOSORJD-UHFFFAOYSA-N 1 0 286.419 3.089 40 0 CGABRO c1ccc(-c2cncc(C[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000072384525 176388786 /nfs/dbraw/zinc/38/87/86/176388786.db2.gz WVPOCLHGIDFVAF-AWEZNQCLSA-N 1 0 267.376 3.076 40 0 CGABRO c1cnc(NC2CCCC2)c(CC[C@H]2CCC[NH2+]2)c1 ZINC000072386466 176391347 /nfs/dbraw/zinc/39/13/47/176391347.db2.gz UUUXEGDJESAYKZ-CQSZACIVSA-N 1 0 259.397 3.121 40 0 CGABRO Clc1ccccc1-c1cnc(C2CC[NH2+]CC2)cn1 ZINC000072386799 176392273 /nfs/dbraw/zinc/39/22/73/176392273.db2.gz IIYRHVATJCGLMP-UHFFFAOYSA-N 1 0 273.767 3.264 40 0 CGABRO FC(F)(F)CCOc1cccc(C[NH2+]C2CC2)c1 ZINC000080936614 260182107 /nfs/dbraw/zinc/18/21/07/260182107.db2.gz SUHRPZMWMUXIBE-UHFFFAOYSA-N 1 0 259.271 3.270 40 0 CGABRO CC[NH+](CC)C[C@H](O)c1ccc(F)c2ccccc21 ZINC000001706341 273639026 /nfs/dbraw/zinc/63/90/26/273639026.db2.gz KKHKFYHFIYJHJB-INIZCTEOSA-N 1 0 261.340 3.354 40 0 CGABRO CC[NH+](CC)Cc1c(C)[nH]c2cc(N(C)C)ccc2c1=O ZINC000001557014 279136353 /nfs/dbraw/zinc/13/63/53/279136353.db2.gz DRPCABFPZUBDBR-UHFFFAOYSA-N 1 0 287.407 3.157 40 0 CGABRO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH+](CC)CC ZINC000002694472 280129349 /nfs/dbraw/zinc/12/93/49/280129349.db2.gz ILZNGEAPOFFSCE-HUUCEWRRSA-N 1 0 279.424 3.282 40 0 CGABRO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCC[N@H+]1C ZINC000072219265 293293872 /nfs/dbraw/zinc/29/38/72/293293872.db2.gz CAFCKPSWNPUCGJ-HNNXBMFYSA-N 1 0 259.397 3.147 40 0 CGABRO Cc1cc(N(C)C)ncc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072218684 301329628 /nfs/dbraw/zinc/32/96/28/301329628.db2.gz WIKLITZEXNAYRP-OAHLLOKOSA-N 1 0 261.413 3.249 40 0 CGABRO C[C@@H]1Cc2cc(C(=O)CC[NH+]3CCCCC3)ccc2O1 ZINC000005356040 534057702 /nfs/dbraw/zinc/05/77/02/534057702.db2.gz QPGYWRMEPJZZQJ-CYBMUJFWSA-N 1 0 273.376 3.069 40 0 CGABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccs1 ZINC000096055770 185076080 /nfs/dbraw/zinc/07/60/80/185076080.db2.gz TWLMMABOLOSOGG-LSDHHAIUSA-N 1 0 264.438 3.053 40 0 CGABRO Cc1cc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)oc1C ZINC000096054654 185076702 /nfs/dbraw/zinc/07/67/02/185076702.db2.gz SUYUECBXHZHMPR-TXEJJXNPSA-N 1 0 255.308 3.374 40 0 CGABRO CC[NH2+]Cc1scc(Br)c1Br ZINC000085390812 179047752 /nfs/dbraw/zinc/04/77/52/179047752.db2.gz KOZOVENITCGVPE-UHFFFAOYSA-N 1 0 299.031 3.383 40 0 CGABRO CCOCC[C@@H]1CCOC12CC[NH+](Cc1ccco1)CC2 ZINC000585103981 346724432 /nfs/dbraw/zinc/72/44/32/346724432.db2.gz FFTXJQNJKRQZTM-OAHLLOKOSA-N 1 0 293.407 3.077 40 0 CGABRO CCC[C@@H](C(=O)c1ccc2c(c1)OCO2)[NH+](CC)CC ZINC000601032719 347853841 /nfs/dbraw/zinc/85/38/41/347853841.db2.gz CUPSLSIMIHCVIA-ZDUSSCGKSA-N 1 0 277.364 3.109 40 0 in-vitro CGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)C)nc1C ZINC000072218758 283321711 /nfs/dbraw/zinc/32/17/11/283321711.db2.gz CDMROGOMACUMHY-OAHLLOKOSA-N 1 0 261.413 3.393 40 0 CGABRO CCC[C@H](C)[NH2+]CCOC(=O)Nc1ccccc1 ZINC000001996759 368443533 /nfs/dbraw/zinc/44/35/33/368443533.db2.gz PUOKYAFHCGBKGW-LBPRGKRZSA-N 1 0 250.342 3.013 40 0 CGABRO CCCC[NH+](CCCC)CNC(=O)c1ccccc1 ZINC000001700090 368433199 /nfs/dbraw/zinc/43/31/99/368433199.db2.gz SZYJWDZNOLRSCV-UHFFFAOYSA-N 1 0 262.397 3.276 40 0 CGABRO CC[C@H](OC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000002694566 368472857 /nfs/dbraw/zinc/47/28/57/368472857.db2.gz VRUIYMWWJGHVSW-SJORKVTESA-N 1 0 277.408 3.001 40 0 CGABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2COC(=O)Nc1ccccc1 ZINC000008300165 368573181 /nfs/dbraw/zinc/57/31/81/368573181.db2.gz ADXOZPYVFZJVMP-OFQRWUPVSA-N 1 0 288.391 3.356 40 0 biogenic,in-vitro CGABRO OCC[N@H+](Cc1cccs1)Cc1cccc2cccnc21 ZINC000013997448 368673229 /nfs/dbraw/zinc/67/32/29/368673229.db2.gz YYVFNGALXIFNAA-UHFFFAOYSA-N 1 0 298.411 3.291 40 0 CGABRO c1csc([C@H](Cc2ccsc2)[NH2+]C[C@@H]2CCOC2)n1 ZINC000019406501 368752135 /nfs/dbraw/zinc/75/21/35/368752135.db2.gz DIWKJUZOBCAGTH-STQMWFEESA-N 1 0 294.445 3.115 40 0 CGABRO CC[NH2+]Cc1ccc(O[C@@H](C)CC)c(OCC)c1 ZINC000034815763 368979698 /nfs/dbraw/zinc/97/96/98/368979698.db2.gz YMVWVZFYYYNIKV-LBPRGKRZSA-N 1 0 251.370 3.372 40 0 CGABRO COc1cc(C[NH2+]CC(C)C)ccc1OCC(C)C ZINC000032114207 368924981 /nfs/dbraw/zinc/92/49/81/368924981.db2.gz RZWKYDVZNYWLIA-UHFFFAOYSA-N 1 0 265.397 3.476 40 0 CGABRO CCCCOc1ccc(C[NH2+]C[C@H]2CCCO2)cc1OC ZINC000032156538 368927508 /nfs/dbraw/zinc/92/75/08/368927508.db2.gz AKPAROGTHVBDTB-OAHLLOKOSA-N 1 0 293.407 3.143 40 0 CGABRO C[NH2+]C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000039320555 369149117 /nfs/dbraw/zinc/14/91/17/369149117.db2.gz PRXQVBMRHVTMLJ-UHFFFAOYSA-N 1 0 273.207 3.177 40 0 CGABRO CC(C)N(CC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000042428452 369220529 /nfs/dbraw/zinc/22/05/29/369220529.db2.gz OBFRTTPHNQVMGN-UHFFFAOYSA-N 1 0 261.196 3.163 40 0 CGABRO FC(F)(F)c1ccc(-c2nc3c(s2)C[NH2+]CC3)cc1 ZINC000053335861 369482166 /nfs/dbraw/zinc/48/21/66/369482166.db2.gz CUMDDCQWRWZHOD-UHFFFAOYSA-N 1 0 284.306 3.475 40 0 CGABRO CCCCOc1ccc(C[NH2+]CCOC)cc1OCC ZINC000057901173 369550451 /nfs/dbraw/zinc/55/04/51/369550451.db2.gz QUPSQIXLXOGVHB-UHFFFAOYSA-N 1 0 281.396 3.000 40 0 CGABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215986 369816132 /nfs/dbraw/zinc/81/61/32/369816132.db2.gz ABSHMSGHPWZMCK-INIZCTEOSA-N 1 0 273.424 3.475 40 0 CGABRO Cc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1Cl ZINC000074921009 369891481 /nfs/dbraw/zinc/89/14/81/369891481.db2.gz YFNFEQSGTYZPNW-UHFFFAOYSA-N 1 0 280.799 3.319 40 0 CGABRO [NH3+]C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCCCC1 ZINC000095098744 370176406 /nfs/dbraw/zinc/17/64/06/370176406.db2.gz LLMTVCXUFHAIAK-CYBMUJFWSA-N 1 0 288.313 3.071 40 0 CGABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000096158724 370205479 /nfs/dbraw/zinc/20/54/79/370205479.db2.gz POKISBQDFBNNJB-KRWDZBQOSA-N 1 0 289.419 3.155 40 0 CGABRO CC(C)COC1CC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096159305 370206107 /nfs/dbraw/zinc/20/61/07/370206107.db2.gz LFBDUOPRZWFPBN-UHFFFAOYSA-N 1 0 288.435 3.499 40 0 CGABRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(Cl)cc1)C2 ZINC000096268548 370208348 /nfs/dbraw/zinc/20/83/48/370208348.db2.gz HAIFWKXAQYYLJL-MRXNPFEDSA-N 1 0 278.827 3.258 40 0 CGABRO CC[NH+](CC)CCCNCc1cn(C2CCCC2)nc1C ZINC000256052939 190004556 /nfs/dbraw/zinc/00/45/56/190004556.db2.gz PGKOMYMNBZFORD-UHFFFAOYSA-N 1 0 292.471 3.128 40 0 CGABRO Cc1cc(Oc2ccccc2)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000257198150 190011018 /nfs/dbraw/zinc/01/10/18/190011018.db2.gz USZQVQNXPWXIBS-AWEZNQCLSA-N 1 0 269.348 3.392 40 0 CGABRO C[N@@H+]1CC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257222078 190014622 /nfs/dbraw/zinc/01/46/22/190014622.db2.gz DRURTBDKGZKWOJ-LBPRGKRZSA-N 1 0 276.767 3.338 40 0 CGABRO CCc1nc(C)c(C[N@@H+]2CCC[C@@H]2c2ccnc(NC)c2)[nH]1 ZINC000257243933 190018528 /nfs/dbraw/zinc/01/85/28/190018528.db2.gz IJDUMFIOLABSPW-OAHLLOKOSA-N 1 0 299.422 3.054 40 0 CGABRO Cc1csc(-c2cc(C[C@@H]3CCC[NH2+]C3)ccn2)n1 ZINC000257270688 190023969 /nfs/dbraw/zinc/02/39/69/190023969.db2.gz MVGFLMLLQUFXFW-ZDUSSCGKSA-N 1 0 273.405 3.056 40 0 CGABRO C[N@@H+]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000334270677 206287224 /nfs/dbraw/zinc/28/72/24/206287224.db2.gz STSLSMOJBBRHHI-JTQLQIEISA-N 1 0 297.280 3.175 40 0 CGABRO Cc1cncc([C@H]2CCC[N@@H+]2Cc2cccs2)n1 ZINC000257298970 190029564 /nfs/dbraw/zinc/02/95/64/190029564.db2.gz RODCFULDJWMUPP-CQSZACIVSA-N 1 0 259.378 3.184 40 0 CGABRO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000257328694 190034511 /nfs/dbraw/zinc/03/45/11/190034511.db2.gz XGSQBABSSZEUOF-CYBMUJFWSA-N 1 0 275.421 3.170 40 0 CGABRO CC[NH+](CC)CCCCOc1ccc(C=O)cc1OC ZINC000217796817 376178882 /nfs/dbraw/zinc/17/88/82/376178882.db2.gz GKUNDIXNZBYLFN-UHFFFAOYSA-N 1 0 279.380 3.009 40 0 CGABRO CCCCOc1cccc([C@@H](C)[NH2+]CCOC)c1 ZINC000225166163 376297541 /nfs/dbraw/zinc/29/75/41/376297541.db2.gz SBNSYPLDFJTRSM-CYBMUJFWSA-N 1 0 251.370 3.163 40 0 CGABRO CCC[n+]1cccc(-c2nc3cc(N)cc(C)c3o2)c1 ZINC000226778124 376373494 /nfs/dbraw/zinc/37/34/94/376373494.db2.gz KDCFMQZSSOIYIQ-UHFFFAOYSA-N 1 0 268.340 3.083 40 0 CGABRO C[C@H](c1cccc(F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246155577 376978595 /nfs/dbraw/zinc/97/85/95/376978595.db2.gz GQJDHYWKCNGXLN-CABCVRRESA-N 1 0 276.399 3.304 40 0 CGABRO CC(C)[N@@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC000096252366 256834660 /nfs/dbraw/zinc/83/46/60/256834660.db2.gz LAIHOXZBKWFWIF-OCZCAGDBSA-N 1 0 290.382 3.131 40 0 CGABRO CC[C@@]12CC[C@H](O)[C@@H]1[N@H+](C)CC[C@@H]2Sc1ccccc1 ZINC000001613164 391913628 /nfs/dbraw/zinc/91/36/28/391913628.db2.gz KXKOAQZKAXUINI-QAETUUGQSA-N 1 0 291.460 3.403 40 0 CGABRO CN(c1ccccc1)c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072214181 392198830 /nfs/dbraw/zinc/19/88/30/392198830.db2.gz JTVGBWHQKAFJDQ-OAHLLOKOSA-N 1 0 253.349 3.274 40 0 CGABRO Cc1nc(N2CCCCC2)ccc1C1=[NH+]CCCC1 ZINC000072219291 392200579 /nfs/dbraw/zinc/20/05/79/392200579.db2.gz QLADSANAXMHJRP-UHFFFAOYSA-N 1 0 257.381 3.353 40 0 CGABRO CCN(CC)c1ncc([C@@H]([NH3+])c2ccccc2)cc1C ZINC000072222233 392201457 /nfs/dbraw/zinc/20/14/57/392201457.db2.gz OLIWDYGGFQRUSF-INIZCTEOSA-N 1 0 269.392 3.284 40 0 CGABRO CC[C@H]([NH3+])c1ccc(NCc2ccccc2)nc1C ZINC000072224418 392203130 /nfs/dbraw/zinc/20/31/30/392203130.db2.gz ARUKTEMRYBJREK-HNNXBMFYSA-N 1 0 255.365 3.412 40 0 CGABRO Cc1cccc(-c2nccnc2C2CC[NH2+]CC2)c1C ZINC000072386903 392205852 /nfs/dbraw/zinc/20/58/52/392205852.db2.gz PUXMBCNVSKFGPE-UHFFFAOYSA-N 1 0 267.376 3.227 40 0 CGABRO CCCCN(Cc1ccco1)C[C@H]1CCCC[NH2+]1 ZINC000096523994 392257902 /nfs/dbraw/zinc/25/79/02/392257902.db2.gz OSUHAKDLYKKDSX-CQSZACIVSA-N 1 0 250.386 3.024 40 0 CGABRO CC(C)(C)c1ncc(-c2ccncc2)c(C2CC[NH2+]CC2)n1 ZINC000257230012 393135746 /nfs/dbraw/zinc/13/57/46/393135746.db2.gz GAJNBROOHBYERC-UHFFFAOYSA-N 1 0 296.418 3.303 40 0 CGABRO O[C@@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccccc1 ZINC000004934826 170042358 /nfs/dbraw/zinc/04/23/58/170042358.db2.gz OCUJINLGKRDHSJ-ZOBUZTSGSA-N 1 0 259.393 3.232 40 0 CGABRO CC[C@H](OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000006355951 170195314 /nfs/dbraw/zinc/19/53/14/170195314.db2.gz KZUCROJGSXJBCA-JQHSSLGASA-N 1 0 291.435 3.390 40 0 CGABRO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OC ZINC000008253681 170327433 /nfs/dbraw/zinc/32/74/33/170327433.db2.gz GYRMGVWBSOMKOU-LBPRGKRZSA-N 1 0 299.798 3.016 40 0 CGABRO COc1cc2c(cc1OC)CC1(C2)c2ccccc2C[N@H+]1C ZINC000008306551 170329779 /nfs/dbraw/zinc/32/97/79/170329779.db2.gz QFRUIQRPMFUFRF-UHFFFAOYSA-N 1 0 295.382 3.143 40 0 CGABRO CCOc1ccc(C[NH2+]C(C)(C)C)cc1OCC ZINC000008324844 170331259 /nfs/dbraw/zinc/33/12/59/170331259.db2.gz PYJUSTKUEBUMDA-UHFFFAOYSA-N 1 0 251.370 3.372 40 0 CGABRO C[NH+](C)CCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000008373880 170333482 /nfs/dbraw/zinc/33/34/82/170333482.db2.gz YRZMPGXMTSSCJK-UHFFFAOYSA-N 1 0 276.355 3.127 40 0 CGABRO C[C@H]1CCC[C@@H]1OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000010434824 170406689 /nfs/dbraw/zinc/40/66/89/170406689.db2.gz WQOZKGHCJGQRLQ-ZNMIVQPWSA-N 1 0 285.472 3.357 40 0 CGABRO C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000020680981 171269899 /nfs/dbraw/zinc/26/98/99/171269899.db2.gz NJGNPZDNXDASJO-UHFFFAOYSA-N 1 0 293.370 3.267 40 0 CGABRO CCOc1c(Cl)cc(Cl)cc1CNCC[NH+](C)C ZINC000022074928 171352155 /nfs/dbraw/zinc/35/21/55/171352155.db2.gz SVODFKKTVANHKF-UHFFFAOYSA-N 1 0 291.222 3.043 40 0 CGABRO c1cn(CC[NH2+]C(c2ccccc2)c2ccccc2)cn1 ZINC000022115176 171352813 /nfs/dbraw/zinc/35/28/13/171352813.db2.gz ZDLDHDBQYBBTEJ-UHFFFAOYSA-N 1 0 277.371 3.262 40 0 CGABRO Clc1ccc(COC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000028521860 171561485 /nfs/dbraw/zinc/56/14/85/171561485.db2.gz OYXDNXLHCKNEGG-JTQLQIEISA-N 1 0 260.164 3.262 40 0 CGABRO [NH3+]C[C@@H](c1cccc(Cl)c1Cl)N1CCCCC1 ZINC000039034762 174161624 /nfs/dbraw/zinc/16/16/24/174161624.db2.gz HBJAYMKRBXGOEG-LBPRGKRZSA-N 1 0 273.207 3.479 40 0 CGABRO CC[NH+](CC)CCOc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000043686883 175094623 /nfs/dbraw/zinc/09/46/23/175094623.db2.gz YWFOAASIVXEUFF-UHFFFAOYSA-N 1 0 292.423 3.392 40 0 CGABRO CC(C)(C)OC(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC000066345654 175757977 /nfs/dbraw/zinc/75/79/77/175757977.db2.gz VPTUTEIQMQFSBU-UHFFFAOYSA-N 1 0 290.407 3.176 40 0 CGABRO Fc1cc(-c2noc(CC3CC[NH2+]CC3)n2)ccc1Cl ZINC000072226855 176343394 /nfs/dbraw/zinc/34/33/94/176343394.db2.gz MRLVYFCPZWWPLZ-UHFFFAOYSA-N 1 0 295.745 3.071 40 0 CGABRO C[N@@H+]1CC[C@@H](NCc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000072341603 176371679 /nfs/dbraw/zinc/37/16/79/176371679.db2.gz MGDXGLUHKKGPKT-PKOBYXMFSA-N 1 0 298.405 3.403 40 0 CGABRO Fc1ccc(Cc2cccc(C3CC[NH2+]CC3)n2)cc1 ZINC000072348397 176373341 /nfs/dbraw/zinc/37/33/41/176373341.db2.gz FYMRPBVWVOPRQJ-UHFFFAOYSA-N 1 0 270.351 3.279 40 0 CGABRO C[NH+]1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000072348565 176373524 /nfs/dbraw/zinc/37/35/24/176373524.db2.gz QIZJPZGVFLHBSM-UHFFFAOYSA-N 1 0 266.388 3.482 40 0 CGABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072355680 176375111 /nfs/dbraw/zinc/37/51/11/176375111.db2.gz IHTGEFZCTQGWLD-OAHLLOKOSA-N 1 0 298.434 3.418 40 0 CGABRO c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H](c2cnccn2)C1 ZINC000072369379 176384102 /nfs/dbraw/zinc/38/41/02/176384102.db2.gz UENOFHWEAKCOTM-CQSZACIVSA-N 1 0 292.386 3.338 40 0 CGABRO Cc1ccc(Cc2cc(C3CC[NH2+]CC3)ccn2)cc1 ZINC000072386824 176392389 /nfs/dbraw/zinc/39/23/89/176392389.db2.gz BHVYMJFEAIUCKM-UHFFFAOYSA-N 1 0 266.388 3.448 40 0 CGABRO C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000083418805 277286599 /nfs/dbraw/zinc/28/65/99/277286599.db2.gz ADTNSTHKMIPKIJ-UHFFFAOYSA-N 1 0 257.177 3.444 40 0 CGABRO c1ccc(C[C@H]2CC[C@@H]3C[N@H+](Cc4ccccn4)C[C@H]23)nc1 ZINC000257328111 275067240 /nfs/dbraw/zinc/06/72/40/275067240.db2.gz XEFIZUABZKBKJH-GPMSIDNRSA-N 1 0 293.414 3.177 40 0 CGABRO CC[C@@H]1C[NH2+]Cc2cc3cc(C)cc(C)c3nc2O1 ZINC000019500975 276507452 /nfs/dbraw/zinc/50/74/52/276507452.db2.gz MVNGWVPNWIFKEI-CQSZACIVSA-N 1 0 256.349 3.112 40 0 CGABRO C[NH+]1CCC2(CC1)CC(=O)c1ccc3ccccc3c1O2 ZINC000225824824 277035547 /nfs/dbraw/zinc/03/55/47/277035547.db2.gz QPIFOKSJCZZZEV-UHFFFAOYSA-N 1 0 281.355 3.269 40 0 CGABRO C[N@@H+]1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214364 277066134 /nfs/dbraw/zinc/06/61/34/277066134.db2.gz RHKKJLHWVJMMLN-GFCCVEGCSA-N 1 0 277.368 3.195 40 0 CGABRO C[NH2+]C[C@H](C)CN1c2ccccc2CCc2cc(O)ccc21 ZINC000005141533 277281445 /nfs/dbraw/zinc/28/14/45/277281445.db2.gz LITUUVIRCVGRTI-AWEZNQCLSA-N 1 0 296.414 3.484 40 0 in-vitro CGABRO CC(C)c1cccc2cc3c(nc21)O[C@H](C)C[NH2+]C3 ZINC000072392279 278058362 /nfs/dbraw/zinc/05/83/62/278058362.db2.gz PYZPRPQNPQJWPP-LLVKDONJSA-N 1 0 256.349 3.229 40 0 CGABRO CC(C)n1nccc1-c1nccnc1[C@H]1CCC[N@@H+]1C(C)C ZINC000257207651 278149878 /nfs/dbraw/zinc/14/98/78/278149878.db2.gz BIQBVCJYFUWIEV-CQSZACIVSA-N 1 0 299.422 3.466 40 0 CGABRO Cc1nc(N2CCCCC2)ccc1[C@H]1CCCC[NH2+]1 ZINC000072219293 281923645 /nfs/dbraw/zinc/92/36/45/281923645.db2.gz RULUEDUHQXILTA-OAHLLOKOSA-N 1 0 259.397 3.195 40 0 CGABRO Clc1ccc([C@]2(C3CC[NH2+]CC3)CCCO2)cc1 ZINC000005639861 302886960 /nfs/dbraw/zinc/88/69/60/302886960.db2.gz ZOPKGHOTDFOYNE-HNNXBMFYSA-N 1 0 265.784 3.345 40 0 CGABRO C1CCC(O[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@@H]3CCC[C@H]32)C1 ZINC000218849900 333137264 /nfs/dbraw/zinc/13/72/64/333137264.db2.gz RUBZSLWQDHSQAX-ZJPYXAASSA-N 1 0 292.467 3.083 40 0 CGABRO CC(C)(C)c1ccc(N2CC[NH2+][C@H]3CCC[C@@H]32)cc1 ZINC000225717886 333182274 /nfs/dbraw/zinc/18/22/74/333182274.db2.gz ZGVQOVYPQWCIRI-HOTGVXAUSA-N 1 0 258.409 3.315 40 0 CGABRO Cc1cccc(-c2nnc([C@@H]([NH3+])Cc3ccccc3)[nH]2)c1 ZINC000095534913 185008490 /nfs/dbraw/zinc/00/84/90/185008490.db2.gz CDVCXOPXYSKSHV-HNNXBMFYSA-N 1 0 278.359 3.023 40 0 CGABRO CC(C)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096047896 185073075 /nfs/dbraw/zinc/07/30/75/185073075.db2.gz XQOPGEDYKLARAF-CQSZACIVSA-N 1 0 263.381 3.307 40 0 CGABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC000096106539 185099013 /nfs/dbraw/zinc/09/90/13/185099013.db2.gz WCLUFQVXELRNQE-AWEZNQCLSA-N 1 0 295.810 3.110 40 0 CGABRO CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000128157388 187354774 /nfs/dbraw/zinc/35/47/74/187354774.db2.gz JCSFYSCQPWVAPP-KBPBESRZSA-N 1 0 263.381 3.303 40 0 CGABRO COc1cccc(N[N+](=O)c2cccc(OC)c2)c1 ZINC000584905787 346723785 /nfs/dbraw/zinc/72/37/85/346723785.db2.gz AMRHSYUUAZJKMA-UHFFFAOYSA-N 1 0 259.285 3.141 40 0 CGABRO CCC(CC)C[N@@H+]1CCC[C@]2(CN([C@@H](C)CC)C2=O)C1 ZINC000585099347 346724490 /nfs/dbraw/zinc/72/44/90/346724490.db2.gz GVYAVJMIJQXTLN-WMLDXEAASA-N 1 0 280.456 3.146 40 0 CGABRO Fc1cccc(-c2ccc3nc(C4CC[NH2+]CC4)nn3c2)c1 ZINC000107497139 186176861 /nfs/dbraw/zinc/17/68/61/186176861.db2.gz LJMGIWIJJSFMLK-UHFFFAOYSA-N 1 0 296.349 3.002 40 0 CGABRO COCCC[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000179670839 189212550 /nfs/dbraw/zinc/21/25/50/189212550.db2.gz PJRVOSKDWUVYFI-ZDUSSCGKSA-N 1 0 251.370 3.161 40 0 CGABRO Fc1cccc(F)c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121284153 370848042 /nfs/dbraw/zinc/84/80/42/370848042.db2.gz RWXWFBRLKRIMNI-LLVKDONJSA-N 1 0 277.318 3.068 40 0 CGABRO COc1cc2cccnc2c(NCC[NH2+]CC(C)(C)C)c1 ZINC000001599094 368422503 /nfs/dbraw/zinc/42/25/03/368422503.db2.gz JITJMTHXJSVHNR-UHFFFAOYSA-N 1 0 287.407 3.291 40 0 CGABRO O=C(Nc1ccccc1)OCC[NH2+]C1CCCCC1 ZINC000001710459 368434313 /nfs/dbraw/zinc/43/43/13/368434313.db2.gz QXBFUCHAIXNTHG-UHFFFAOYSA-N 1 0 262.353 3.157 40 0 CGABRO CCCCCC[C@H](C)[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001710555 368434776 /nfs/dbraw/zinc/43/47/76/368434776.db2.gz BWKVGJASZQNEDR-AWEZNQCLSA-N 1 0 292.423 3.374 40 0 CGABRO CCOc1cc(C[NH2+]C)ccc1OCc1cccs1 ZINC000005906244 368565868 /nfs/dbraw/zinc/56/58/68/368565868.db2.gz ILZGJDGQHJHPKD-UHFFFAOYSA-N 1 0 277.389 3.445 40 0 CGABRO CN1CCC[C@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000019366066 368749360 /nfs/dbraw/zinc/74/93/60/368749360.db2.gz AFLDZXAGUXBOJE-SFHVURJKSA-N 1 0 280.415 3.460 40 0 CGABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccoc1)Cc1ccncc1 ZINC000022913926 368814466 /nfs/dbraw/zinc/81/44/66/368814466.db2.gz RFIBVJAMPOYDAI-SFHVURJKSA-N 1 0 299.418 3.161 40 0 CGABRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000019963781 368792086 /nfs/dbraw/zinc/79/20/86/368792086.db2.gz WWLXASZDMMYFBT-XJKSGUPXSA-N 1 0 263.381 3.303 40 0 CGABRO CCC[NH2+]Cc1ccc(O[C@@H](C)CC)c(OC)c1 ZINC000034817012 368979216 /nfs/dbraw/zinc/97/92/16/368979216.db2.gz PAWGOYJOXDZXMC-LBPRGKRZSA-N 1 0 251.370 3.372 40 0 CGABRO COc1ccc(Oc2cc3c(cc2OC)CC[N@H+](C)C3)cc1 ZINC000031949589 368921315 /nfs/dbraw/zinc/92/13/15/368921315.db2.gz PDTJAZZTDGSHCL-UHFFFAOYSA-N 1 0 299.370 3.484 40 0 CGABRO COc1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCC4)C3)o2)cc1 ZINC000049170097 369390891 /nfs/dbraw/zinc/39/08/91/369390891.db2.gz WVXCRXZSHLMJJY-ZDUSSCGKSA-N 1 0 299.374 3.087 40 0 biogenic,in-vitro CGABRO Cc1cc(Br)ccc1-c1ccc(C[NH3+])o1 ZINC000049858213 369419325 /nfs/dbraw/zinc/41/93/25/369419325.db2.gz JJXQLQKHJBQSKT-UHFFFAOYSA-N 1 0 266.138 3.476 40 0 CGABRO CCC(C)(C)c1ccc(OCCN2CCC[NH2+]CC2)cc1 ZINC000064875884 369662415 /nfs/dbraw/zinc/66/24/15/369662415.db2.gz FNWORSALWJSQMG-UHFFFAOYSA-N 1 0 290.451 3.048 40 0 CGABRO CC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1OC ZINC000066115666 369688481 /nfs/dbraw/zinc/68/84/81/369688481.db2.gz DMZRMQMRLZZUJU-HIFRSBDPSA-N 1 0 293.407 3.141 40 0 CGABRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000067801148 369730579 /nfs/dbraw/zinc/73/05/79/369730579.db2.gz LTVAXKIZYRUIFE-HNNXBMFYSA-N 1 0 290.407 3.094 40 0 CGABRO c1cc(N2CCCCCC2)ncc1[C@@H]1CCCC[NH2+]1 ZINC000072216654 369815406 /nfs/dbraw/zinc/81/54/06/369815406.db2.gz DBPMHBJURJLDGK-HNNXBMFYSA-N 1 0 259.397 3.277 40 0 CGABRO Cc1cc([C@@H]2CCCC[N@H+]2C(C)C)cnc1N(C)C ZINC000072218640 369815806 /nfs/dbraw/zinc/81/58/06/369815806.db2.gz WYHKEXVPBHEUJL-HNNXBMFYSA-N 1 0 261.413 3.391 40 0 CGABRO CCN(C(=O)OCc1ccccc1)[C@@H]1CCCC[C@H]1[NH2+]C ZINC000079437814 369969098 /nfs/dbraw/zinc/96/90/98/369969098.db2.gz IIVASKQQTWZDTG-HZPDHXFCSA-N 1 0 290.407 3.176 40 0 CGABRO COCC1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301303276 373739217 /nfs/dbraw/zinc/73/92/17/373739217.db2.gz YSRSZZCKHBMOPY-UHFFFAOYSA-N 1 0 274.339 3.237 40 0 CGABRO CC(C)OCCC[NH2+]Cc1cc(C2CC2)nn1C(C)C ZINC000256053813 190005120 /nfs/dbraw/zinc/00/51/20/190005120.db2.gz SZLGQMBJRITXFQ-UHFFFAOYSA-N 1 0 279.428 3.246 40 0 CGABRO CC(C)n1nccc1C[N@@H+]1CCC[C@@H](Cc2ccccn2)C1 ZINC000257237412 190018020 /nfs/dbraw/zinc/01/80/20/190018020.db2.gz HGITYINOHXVACX-INIZCTEOSA-N 1 0 298.434 3.314 40 0 CGABRO Cc1nccc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000257264011 190022467 /nfs/dbraw/zinc/02/24/67/190022467.db2.gz LSLMMKUJHAOENL-MRXNPFEDSA-N 1 0 267.376 3.165 40 0 CGABRO CCc1cc(C[C@H]2CCC[NH2+]CC2)c2cnccc2n1 ZINC000257290538 190027582 /nfs/dbraw/zinc/02/75/82/190027582.db2.gz QDJPMAMULDTSRH-ZDUSSCGKSA-N 1 0 269.392 3.124 40 0 CGABRO C[N@@H+]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000334270678 206286706 /nfs/dbraw/zinc/28/67/06/206286706.db2.gz STSLSMOJBBRHHI-SNVBAGLBSA-N 1 0 297.280 3.175 40 0 CGABRO C[C@@H]([NH3+])COc1ccccc1Oc1cccc(F)c1 ZINC000257306730 190031269 /nfs/dbraw/zinc/03/12/69/190031269.db2.gz SVOLMTQJPVEIME-LLVKDONJSA-N 1 0 261.296 3.344 40 0 CGABRO CCCn1c(C)c(C[NH2+]CC)c2cc(OC)ccc21 ZINC000223761864 376262457 /nfs/dbraw/zinc/26/24/57/376262457.db2.gz PZTFJHNWLLBYPL-UHFFFAOYSA-N 1 0 260.381 3.478 40 0 CGABRO CCCOc1ccc2c(c1)c(C[NH2+]C)c(C)n2CC ZINC000223759759 376262520 /nfs/dbraw/zinc/26/25/20/376262520.db2.gz GMMPVVHVBCGPCQ-UHFFFAOYSA-N 1 0 260.381 3.478 40 0 CGABRO COCC[NH2+][C@@H](C)c1ccccc1OCC(C)C ZINC000225160895 376296562 /nfs/dbraw/zinc/29/65/62/376296562.db2.gz KCEICJWQRZIDNQ-ZDUSSCGKSA-N 1 0 251.370 3.018 40 0 CGABRO CC[C@@H](C)Oc1ccc([C@@H](C)[NH2+]CCOC)cc1 ZINC000225169683 376297528 /nfs/dbraw/zinc/29/75/28/376297528.db2.gz PEMSCOJQOXXGFM-CHWSQXEVSA-N 1 0 251.370 3.161 40 0 CGABRO CC[C@@H](C)Oc1ccccc1[C@H](C)[NH2+]CCOC ZINC000225161074 376297607 /nfs/dbraw/zinc/29/76/07/376297607.db2.gz CTFSDGXSKPYMPS-OLZOCXBDSA-N 1 0 251.370 3.161 40 0 CGABRO C[N@@H+]1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(O)cc13 ZINC000000002433 169503591 /nfs/dbraw/zinc/50/35/91/169503591.db2.gz JAQUASYNZVUNQP-XIRDDKMYSA-N 1 0 257.377 3.080 40 0 CGABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072214600 256711475 /nfs/dbraw/zinc/71/14/75/256711475.db2.gz DFXZMGTWUIZPGY-ZDUSSCGKSA-N 1 0 291.395 3.268 40 0 CGABRO Cc1cc(N2CC[NH2+]CC2)c2ccc(Cl)c(Cl)c2n1 ZINC000068136525 392163155 /nfs/dbraw/zinc/16/31/55/392163155.db2.gz XVYMLQDVNZSALM-UHFFFAOYSA-N 1 0 296.201 3.260 40 0 CGABRO CC(C)N(c1ncccc1[C@H]1CCC[N@@H+]1C)C(C)C ZINC000072213002 392198993 /nfs/dbraw/zinc/19/89/93/392198993.db2.gz MSGPOCXYMABHCC-OAHLLOKOSA-N 1 0 261.413 3.472 40 0 CGABRO CCN(CC)c1ccc([C@@H]([NH3+])c2ccccc2)c(C)n1 ZINC000072224313 392202797 /nfs/dbraw/zinc/20/27/97/392202797.db2.gz LOMHFHVNLCMWDC-KRWDZBQOSA-N 1 0 269.392 3.284 40 0 CGABRO CC[C@H]([NH3+])c1cnc(N2CCc3ccccc32)c(C)c1 ZINC000072222907 392203303 /nfs/dbraw/zinc/20/33/03/392203303.db2.gz PKLWQYUBVHKMQA-HNNXBMFYSA-N 1 0 267.376 3.494 40 0 CGABRO CC[C@@H]([NH3+])c1cnc(OCc2ccccc2)cc1C ZINC000072223431 392203306 /nfs/dbraw/zinc/20/33/06/392203306.db2.gz UADARPSWSSKBMU-OAHLLOKOSA-N 1 0 256.349 3.379 40 0 CGABRO CC(C)[C@H]([NH3+])C(=O)N([C@H](C)c1cccc(Cl)c1)C1CC1 ZINC000079418705 392220091 /nfs/dbraw/zinc/22/00/91/392220091.db2.gz JCBJRGNWFQYXDM-ABAIWWIYSA-N 1 0 294.826 3.375 40 0 CGABRO c1ccc(COc2ccc3[nH]c4c(c3c2)C[NH2+]CC4)cc1 ZINC000022865790 285478662 /nfs/dbraw/zinc/47/86/62/285478662.db2.gz KJVKDUHZNPMCSG-UHFFFAOYSA-N 1 0 278.355 3.393 40 0 CGABRO CCOC(=O)CC1([NH2+]Cc2ccccc2)CCCCC1 ZINC000072210255 397640548 /nfs/dbraw/zinc/64/05/48/397640548.db2.gz VNWSGZFGNRAPJK-UHFFFAOYSA-N 1 0 275.392 3.432 40 0 CGABRO COCCC[NH2+]Cc1cccn1[C@@H](C)c1ccccc1 ZINC000223691609 292363108 /nfs/dbraw/zinc/36/31/08/292363108.db2.gz KBZFSTRWQYPCNL-HNNXBMFYSA-N 1 0 272.392 3.224 40 0 CGABRO C[n+]1ccc(/C=C/c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000005002276 170053387 /nfs/dbraw/zinc/05/33/87/170053387.db2.gz NUIODGIDAZEPQE-NSCUHMNNSA-N 1 0 298.749 3.441 40 0 CGABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc[n+]1C ZINC000005551431 170112377 /nfs/dbraw/zinc/11/23/77/170112377.db2.gz FTBJIIUZEXIUOF-IIAWOOMASA-N 1 0 276.400 3.129 40 0 CGABRO O=Cc1ccccc1OCCC[N@@H+]1CCc2ccccc2C1 ZINC000008731582 170351226 /nfs/dbraw/zinc/35/12/26/170351226.db2.gz OXBBVAVTQXVNIS-UHFFFAOYSA-N 1 0 295.382 3.326 40 0 CGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCOc2cccc(C=O)c2)C1 ZINC000009261545 170369578 /nfs/dbraw/zinc/36/95/78/170369578.db2.gz KJBAYMCRJXSYAF-GASCZTMLSA-N 1 0 275.392 3.246 40 0 CGABRO Cc1ccc2oc([C@H]3CC[N@@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000035446501 172203145 /nfs/dbraw/zinc/20/31/45/172203145.db2.gz QIDWFYOTHFTHPJ-AWEZNQCLSA-N 1 0 299.418 3.020 40 0 biogenic,in-vitro CGABRO CC[C@@H](C)[C@@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441212 173211180 /nfs/dbraw/zinc/21/11/80/173211180.db2.gz PURFUQMZTZSMDZ-RDDDGLTNSA-N 1 0 282.185 3.371 40 0 CGABRO Fc1cccc(Cc2cccc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000072348398 176372975 /nfs/dbraw/zinc/37/29/75/176372975.db2.gz VQFAHLUWAWKHKY-CQSZACIVSA-N 1 0 270.351 3.279 40 0 CGABRO COc1ccccc1Cc1cccc(C2CC[NH2+]CC2)n1 ZINC000072356425 176375458 /nfs/dbraw/zinc/37/54/58/176375458.db2.gz RLFDRZNLRICVOW-UHFFFAOYSA-N 1 0 282.387 3.148 40 0 CGABRO S=C(NCCC[NH+]1CCCCCC1)Nc1ccccc1 ZINC000013669820 260074964 /nfs/dbraw/zinc/07/49/64/260074964.db2.gz BFTNHZCKXCGPPE-UHFFFAOYSA-N 1 0 291.464 3.239 40 0 CGABRO Cc1ccc([C@H]2[NH2+]CCc3nc4ccccc4n32)cc1 ZINC000019772813 274762060 /nfs/dbraw/zinc/76/20/60/274762060.db2.gz YAIFPHXKSMTVKA-KRWDZBQOSA-N 1 0 263.344 3.037 40 0 CGABRO Brc1ccc(-c2nc3c(s2)CC[NH2+]C3)cc1 ZINC000091691903 275368814 /nfs/dbraw/zinc/36/88/14/275368814.db2.gz GYDIFSJFYJOBQW-UHFFFAOYSA-N 1 0 295.205 3.218 40 0 CGABRO CCN(CC)[C@@H](C[NH3+])c1c(OC)ccc2ccccc21 ZINC000032048925 276113018 /nfs/dbraw/zinc/11/30/18/276113018.db2.gz JPFBOHIEDJVHJK-HNNXBMFYSA-N 1 0 272.392 3.190 40 0 CGABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215985 277394847 /nfs/dbraw/zinc/39/48/47/277394847.db2.gz ABSHMSGHPWZMCK-MRXNPFEDSA-N 1 0 273.424 3.475 40 0 CGABRO COc1ccc(N2[NH+]=C(N)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000222548788 295156740 /nfs/dbraw/zinc/15/67/40/295156740.db2.gz QHRUTXSRBKFGEN-OAHLLOKOSA-N 1 0 285.322 3.058 40 0 CGABRO [NH3+]C[C@@H](c1ccccc1C(F)(F)F)N1CCCCC1 ZINC000095532268 303393992 /nfs/dbraw/zinc/39/39/92/303393992.db2.gz FIAVDFDUQDGAHI-ZDUSSCGKSA-N 1 0 272.314 3.191 40 0 CGABRO FC(F)(F)c1ccc(N2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225717660 333182092 /nfs/dbraw/zinc/18/20/92/333182092.db2.gz ONTIEQYSBBOIJQ-OLZOCXBDSA-N 1 0 270.298 3.036 40 0 CGABRO C[C@@H]1CCC[C@H](C)[N@H+]1CCOc1ccccc1C=O ZINC000217788947 533826356 /nfs/dbraw/zinc/82/63/56/533826356.db2.gz LLYHIUZFISPJLE-OKILXGFUSA-N 1 0 261.365 3.141 40 0 CGABRO CC[NH+](CC)CCCNc1nccc2c(OC)cccc21 ZINC000001873631 528114591 /nfs/dbraw/zinc/11/45/91/528114591.db2.gz UGLCNNNMYULQOR-UHFFFAOYSA-N 1 0 287.407 3.387 40 0 CGABRO Cc1nc(CC[NH2+][C@H](C)c2cnc(C)nc2C)sc1C ZINC000127723640 187329511 /nfs/dbraw/zinc/32/95/11/187329511.db2.gz GXYVFLUMLJYVNC-SNVBAGLBSA-N 1 0 290.436 3.060 40 0 CGABRO CO[C@@H]1CC[N@H+](Cc2ccco2)C[C@@H]1Cc1ccccc1 ZINC000096110149 185100979 /nfs/dbraw/zinc/10/09/79/185100979.db2.gz BKKRTDWFNHLACX-FUHWJXTLSA-N 1 0 285.387 3.359 40 0 CGABRO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH]c1=O ZINC000072217984 345406426 /nfs/dbraw/zinc/40/64/26/345406426.db2.gz XWCWQQWEYDGEQO-QGZVFWFLSA-N 1 0 282.387 3.411 40 0 CGABRO COCC[C@H]1CCOC12CC[NH+](Cc1ccsc1)CC2 ZINC000585102765 346724767 /nfs/dbraw/zinc/72/47/67/346724767.db2.gz GYVIKEHMZLXNBC-HNNXBMFYSA-N 1 0 295.448 3.156 40 0 CGABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000585289261 346725765 /nfs/dbraw/zinc/72/57/65/346725765.db2.gz OWXNZHYZQZMIIQ-IPMKNSEASA-N 1 0 297.398 3.137 40 0 CGABRO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000352296530 219398289 /nfs/dbraw/zinc/39/82/89/219398289.db2.gz FKUQXBXCEVGEIP-MRXNPFEDSA-N 1 0 287.382 3.373 40 0 CGABRO CCCCN1c2ccc(SCCC[NH3+])cc2CCC1=O ZINC000218804631 376190382 /nfs/dbraw/zinc/19/03/82/376190382.db2.gz HLPRIFSMYMHRGE-UHFFFAOYSA-N 1 0 292.448 3.207 40 0 CGABRO CNc1nc(-c2ccccc2)[n+](-c2ccc(C)cc2)s1 ZINC000000332305 368342030 /nfs/dbraw/zinc/34/20/30/368342030.db2.gz AYURKVVCUVKFLJ-UHFFFAOYSA-O 1 0 282.392 3.437 40 0 CGABRO CC[C@H](COC(=O)c1ccccc1)[NH2+]C1CCCC1 ZINC000001710473 368434489 /nfs/dbraw/zinc/43/44/89/368434489.db2.gz NTBMZGYXAKYTOQ-CQSZACIVSA-N 1 0 261.365 3.154 40 0 CGABRO C[NH+](C)CCC(=O)C(c1ccccc1)c1ccccc1 ZINC000001710988 368434733 /nfs/dbraw/zinc/43/47/33/368434733.db2.gz YOODYJXXRKFIGD-UHFFFAOYSA-N 1 0 267.372 3.339 40 0 CGABRO CCCC[C@H](CC)COC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000026897427 368865216 /nfs/dbraw/zinc/86/52/16/368865216.db2.gz FEKQTLCLFPIWFZ-WMZOPIPTSA-N 1 0 293.451 3.370 40 0 CGABRO COc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 ZINC000027788644 368876055 /nfs/dbraw/zinc/87/60/55/368876055.db2.gz KJZDAQTYESNZFI-UHFFFAOYSA-N 1 0 291.374 3.387 40 0 CGABRO Cc1ccc(OCC[C@@H](O)C[NH+]2CCC(C)CC2)cc1C ZINC000028295337 368885343 /nfs/dbraw/zinc/88/53/43/368885343.db2.gz CXJUNMDUSOQKQP-QGZVFWFLSA-N 1 0 291.435 3.165 40 0 CGABRO c1ccc(C[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000031715944 368917213 /nfs/dbraw/zinc/91/72/13/368917213.db2.gz PDANPYHTZOQZAR-GOSISDBHSA-N 1 0 267.372 3.303 40 0 CGABRO C[C@H](C[NH2+][C@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000047219043 369310169 /nfs/dbraw/zinc/31/01/69/369310169.db2.gz KPIIVEYPTCQGJK-CHWSQXEVSA-N 1 0 263.381 3.315 40 0 CGABRO CCCC[N@H+]1CC=C(c2nc3ccccc3[nH]2)CC1 ZINC000226250875 189770545 /nfs/dbraw/zinc/77/05/45/189770545.db2.gz ZASSKHCZHLHDOP-UHFFFAOYSA-N 1 0 255.365 3.452 40 0 CGABRO CC(C)C[N@@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169333 369390861 /nfs/dbraw/zinc/39/08/61/369390861.db2.gz UJVSARQNBQUKMT-AWEZNQCLSA-N 1 0 271.364 3.182 40 0 biogenic,in-vitro CGABRO c1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCC4)C3)o2)cc1 ZINC000049169302 369391105 /nfs/dbraw/zinc/39/11/05/369391105.db2.gz YSVNOGVTKNWMOR-ZDUSSCGKSA-N 1 0 269.348 3.078 40 0 biogenic,in-vitro CGABRO C[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216117 369815923 /nfs/dbraw/zinc/81/59/23/369815923.db2.gz JWFXCMCTMMMFFT-HNNXBMFYSA-N 1 0 259.397 3.229 40 0 CGABRO CC(C)c1ccccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000074920996 369890567 /nfs/dbraw/zinc/89/05/67/369890567.db2.gz ITGGJMIPIIVPMS-UHFFFAOYSA-N 1 0 274.408 3.480 40 0 CGABRO Clc1ccc(Cl)c(C[NH2+]C[C@@H]2CCOC2)c1 ZINC000083697613 370008429 /nfs/dbraw/zinc/00/84/29/370008429.db2.gz NUIAZFTYFHCKHY-VIFPVBQESA-N 1 0 260.164 3.120 40 0 CGABRO CCC[N@@H+]1C[C@H]2Cc3c(c(-c4ccccc4)nn3C)[C@H]2C1 ZINC000096263808 370208314 /nfs/dbraw/zinc/20/83/14/370208314.db2.gz FGGDANXRQPEKKH-CABCVRRESA-N 1 0 281.403 3.069 40 0 CGABRO COc1ccc(C[NH2+]Cc2cnn(C(C)C)c2C)cc1 ZINC000256053337 190004833 /nfs/dbraw/zinc/00/48/33/190004833.db2.gz RAVOTBQPIQPHCF-UHFFFAOYSA-N 1 0 273.380 3.071 40 0 CGABRO CCCCCC[NH2+]Cc1cnn(CC(F)F)c1C ZINC000256054664 190005410 /nfs/dbraw/zinc/00/54/10/190005410.db2.gz XGCWQZFPUQGFBR-UHFFFAOYSA-N 1 0 259.344 3.127 40 0 CGABRO Cc1cc(CC2CC[NH+](Cc3ccccn3)CC2)ccn1 ZINC000257199752 190010969 /nfs/dbraw/zinc/01/09/69/190010969.db2.gz AAROFQYNWRTYRZ-UHFFFAOYSA-N 1 0 281.403 3.240 40 0 CGABRO Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2ccccn2)ccn1 ZINC000257204189 190011301 /nfs/dbraw/zinc/01/13/01/190011301.db2.gz ATLCTGFJFXGTOW-SFHVURJKSA-N 1 0 281.403 3.382 40 0 CGABRO CCCn1nccc1-c1cc(CC2CC[NH+](C)CC2)ccn1 ZINC000257264683 190022994 /nfs/dbraw/zinc/02/29/94/190022994.db2.gz LVPURIQVNXTRJH-UHFFFAOYSA-N 1 0 298.434 3.239 40 0 CGABRO c1cnc2ccc(CC3CC[NH+]([C@@H]4CCOC4)CC3)cc2c1 ZINC000257268254 190023742 /nfs/dbraw/zinc/02/37/42/190023742.db2.gz MKWGZTJJDJBMRT-GOSISDBHSA-N 1 0 296.414 3.278 40 0 CGABRO Cc1ccc(C[N@@H+]2CCC[C@H](Cc3ccccn3)C2)cn1 ZINC000257281719 190026454 /nfs/dbraw/zinc/02/64/54/190026454.db2.gz OQQIRDJEAJRSAD-MRXNPFEDSA-N 1 0 281.403 3.240 40 0 CGABRO Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC000257273104 190024658 /nfs/dbraw/zinc/02/46/58/190024658.db2.gz NFHHZZCZMDPTLL-CYBMUJFWSA-N 1 0 259.378 3.184 40 0 CGABRO O=C1c2ccccc2CCC[C@@H]1[C@@H]1CCCCC[NH2+]1 ZINC000019375292 285024297 /nfs/dbraw/zinc/02/42/97/285024297.db2.gz FAHJUQKHFKDJIS-CVEARBPZSA-N 1 0 257.377 3.354 40 0 CGABRO CC[N@@H+]1CCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218791 285262096 /nfs/dbraw/zinc/26/20/96/285262096.db2.gz ALAPJRHGXIUCQB-OAHLLOKOSA-N 1 0 259.397 3.147 40 0 CGABRO O[C@H]1CC[C@H](Nc2c3c([nH+]c4ccccc42)CCC3)CC1 ZINC000103762047 285367621 /nfs/dbraw/zinc/36/76/21/285367621.db2.gz JXQGZPCZPZBOJP-BETUJISGSA-N 1 0 282.387 3.439 40 0 CGABRO CCN(CC)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424725 391980740 /nfs/dbraw/zinc/98/07/40/391980740.db2.gz FCCCJDOXKLNBGS-LBPRGKRZSA-N 1 0 261.196 3.335 40 0 CGABRO CCSc1ncc(C[NH2+][C@@H](C)c2ccccc2)cn1 ZINC000062717283 392133232 /nfs/dbraw/zinc/13/32/32/392133232.db2.gz PYNXSRXGMRZROX-LBPRGKRZSA-N 1 0 273.405 3.439 40 0 CGABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N(C)C ZINC000072212679 392198799 /nfs/dbraw/zinc/19/87/99/392198799.db2.gz QBNYAUNNSDGZPE-HNNXBMFYSA-N 1 0 261.413 3.331 40 0 CGABRO CCN(C)c1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072212737 392198859 /nfs/dbraw/zinc/19/88/59/392198859.db2.gz UEAFOKQDTMUAPA-OAHLLOKOSA-N 1 0 261.413 3.473 40 0 CGABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N(CC)CC ZINC000072212898 392199126 /nfs/dbraw/zinc/19/91/26/392199126.db2.gz YQUSGMJNBUFRLP-HNNXBMFYSA-N 1 0 261.413 3.475 40 0 CGABRO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCC[NH2+]1 ZINC000072219232 392200155 /nfs/dbraw/zinc/20/01/55/392200155.db2.gz MRHZJXUINGHFBQ-HNNXBMFYSA-N 1 0 259.397 3.195 40 0 CGABRO CC1CCN([C@@H](C[NH3+])c2ccccc2Br)CC1 ZINC000095532285 392244313 /nfs/dbraw/zinc/24/43/13/392244313.db2.gz MCUDZTLUMPRNFE-AWEZNQCLSA-N 1 0 297.240 3.181 40 0 CGABRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CCCC2)C1 ZINC000089212652 392227487 /nfs/dbraw/zinc/22/74/87/392227487.db2.gz MEHWOIZDTOXDSR-CYBMUJFWSA-N 1 0 282.428 3.166 40 0 CGABRO Cc1ccc2nc3n(c2c1)[C@@H](C[NH2+]C1CCCCC1)COC3 ZINC000096112827 392245330 /nfs/dbraw/zinc/24/53/30/392245330.db2.gz WXRQQVIXFVQCHW-HNNXBMFYSA-N 1 0 299.418 3.338 40 0 biogenic,in-vitro CGABRO CC(C)C[NH2+][C@H]1CCN(C)Cc2ccc(Cl)cc21 ZINC000096510459 392257757 /nfs/dbraw/zinc/25/77/57/392257757.db2.gz QPJSORAIVDIMSQ-HNNXBMFYSA-N 1 0 266.816 3.462 40 0 CGABRO CC(C)(C)OC(=O)Nc1cccc([C@H]2CC[NH2+]C2)c1 ZINC000169804552 392610698 /nfs/dbraw/zinc/61/06/98/392610698.db2.gz OWJXVLBLQLIQRM-LBPRGKRZSA-N 1 0 262.353 3.111 40 0 CGABRO CN1C=CC=C/C1=C/C=C1/C=NN=C1c1cccs1 ZINC000334139390 392706497 /nfs/dbraw/zinc/70/64/97/392706497.db2.gz QUNMCLWTMVSHGC-AJDRMPRJSA-N 1 0 267.357 3.362 40 0 CGABRO C[NH+](C)C[C@@H]1CCc2ccc3ccccc3c2C1=O ZINC000001594857 397602670 /nfs/dbraw/zinc/60/26/70/397602670.db2.gz OTFJDUYHMWYNCA-AWEZNQCLSA-N 1 0 253.345 3.147 40 0 CGABRO COC(=O)[C@](C)(c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000085393515 397641297 /nfs/dbraw/zinc/64/12/97/397641297.db2.gz MMRSEEBTACCPCS-VBQJREDUSA-N 1 0 275.392 3.053 40 0 CGABRO O=C(/C=C/c1ccco1)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005017996 170056286 /nfs/dbraw/zinc/05/62/86/170056286.db2.gz NXLHVPKRTYHUOA-MOIGAOQCSA-N 1 0 289.375 3.101 40 0 CGABRO CCC[N@H+](C)C[C@H](C)Nc1cc(OC)cc2cccnc21 ZINC000005838694 170145282 /nfs/dbraw/zinc/14/52/82/170145282.db2.gz KQLLLBJAONQNGY-ZDUSSCGKSA-N 1 0 287.407 3.386 40 0 CGABRO CCOc1cc(C[NH2+]Cc2cccs2)ccc1OC ZINC000008254364 170327469 /nfs/dbraw/zinc/32/74/69/170327469.db2.gz CZVKGFBZZLTGNA-UHFFFAOYSA-N 1 0 277.389 3.445 40 0 CGABRO COc1ccc2[nH]c([C@H]3CC[N@H+](CC(C)C)C3)nc2c1 ZINC000035446769 172203095 /nfs/dbraw/zinc/20/30/95/172203095.db2.gz USFQGFIEQGPRIZ-LBPRGKRZSA-N 1 0 273.380 3.017 40 0 biogenic,in-vitro CGABRO C[C@H]([NH3+])c1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000071614206 176233704 /nfs/dbraw/zinc/23/37/04/176233704.db2.gz XEQUWHVSDLOFGR-JTQLQIEISA-N 1 0 260.337 3.444 40 0 CGABRO Cc1cc(-c2ccsc2)nc(C2CC[NH+](C)CC2)n1 ZINC000072351355 176374140 /nfs/dbraw/zinc/37/41/40/176374140.db2.gz BKSTWIMBIQCXJU-UHFFFAOYSA-N 1 0 273.405 3.323 40 0 CGABRO COc1cccc(Cc2cccc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000072356423 176375648 /nfs/dbraw/zinc/37/56/48/176375648.db2.gz XEDGJWILMRKGFM-INIZCTEOSA-N 1 0 268.360 3.106 40 0 CGABRO Cc1cccc(Nc2cc(C)nc([C@H]3CCC[N@@H+](C)C3)n2)n1 ZINC000072359944 176376978 /nfs/dbraw/zinc/37/69/78/176376978.db2.gz PLYRWKFUGQZMGC-AWEZNQCLSA-N 1 0 297.406 3.041 40 0 CGABRO Cc1nc(-c2ccc(F)c(F)c2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072365099 176379921 /nfs/dbraw/zinc/37/99/21/176379921.db2.gz WJIIOPGKLGUBRQ-GFCCVEGCSA-N 1 0 289.329 3.197 40 0 CGABRO C[N@@H+]1CCCC[C@H]1c1cncc(Cc2ccc(F)cc2)n1 ZINC000072366306 176380923 /nfs/dbraw/zinc/38/09/23/176380923.db2.gz DQZUVAGLYOXOLB-KRWDZBQOSA-N 1 0 285.366 3.363 40 0 CGABRO c1cc([C@@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000072369522 176384277 /nfs/dbraw/zinc/38/42/77/176384277.db2.gz UDFLNTZPTVBTJH-MRXNPFEDSA-N 1 0 295.386 3.065 40 0 CGABRO Cc1nc(C[N@@H+]2CCC[C@H](Cc3cccnc3)C2)cs1 ZINC000072386120 176391038 /nfs/dbraw/zinc/39/10/38/176391038.db2.gz YWWKSKMLLWSITG-OAHLLOKOSA-N 1 0 287.432 3.301 40 0 CGABRO c1cncc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)c1 ZINC000096241709 265346098 /nfs/dbraw/zinc/34/60/98/265346098.db2.gz ATVLZGHFFBCKOE-UHFFFAOYSA-N 1 0 264.372 3.316 40 0 CGABRO CC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)[C@@H]2CCCC[C@@H]21 ZINC000169303148 278222581 /nfs/dbraw/zinc/22/25/81/278222581.db2.gz TYRBZUUHADCCGQ-KSZLIROESA-N 1 0 287.403 3.339 40 0 CGABRO C[n+]1cccc(-c2nc3ccc(Cl)cc3s2)c1 ZINC000226776723 280181033 /nfs/dbraw/zinc/18/10/33/280181033.db2.gz WSABAYCIABCEHP-UHFFFAOYSA-N 1 0 261.757 3.441 40 0 CGABRO Cc1cc(C)[n+](C)c(/C=C/c2ccc(Cl)cc2)n1 ZINC000008580731 280379690 /nfs/dbraw/zinc/37/96/90/280379690.db2.gz VAJFNCAMOYDSFE-RMKNXTFCSA-N 1 0 259.760 3.347 40 0 CGABRO Cc1cc(C)nc(NCCC[NH2+]C[C@H](C)c2ccccc2)n1 ZINC000062717881 333176098 /nfs/dbraw/zinc/17/60/98/333176098.db2.gz DJLCDTHXZQQWLT-AWEZNQCLSA-N 1 0 298.434 3.289 40 0 CGABRO CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccsc1)C2 ZINC000096039317 185068830 /nfs/dbraw/zinc/06/88/30/185068830.db2.gz LAAKIQNSRBQHRA-JKSUJKDBSA-N 1 0 295.448 3.156 40 0 CGABRO O=C1C[C@]2(CN1c1ccccc1)CCCC[N@@H+]2CC1CC1 ZINC000096071667 185086619 /nfs/dbraw/zinc/08/66/19/185086619.db2.gz WZKGQZLELYSGBW-SFHVURJKSA-N 1 0 284.403 3.058 40 0 CGABRO CO[C@H]1COC2(C1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC000096106538 185099073 /nfs/dbraw/zinc/09/90/73/185099073.db2.gz WCLUFQVXELRNQE-CQSZACIVSA-N 1 0 295.810 3.110 40 0 CGABRO CNc1nc(N2Cc3ccccc3C[C@H]2C)cc(C(C)C)[nH+]1 ZINC000329018873 136377547 /nfs/dbraw/zinc/37/75/47/136377547.db2.gz NTFRAJNGCHAFSV-CYBMUJFWSA-N 1 0 296.418 3.015 40 0 CGABRO CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000128157823 187354981 /nfs/dbraw/zinc/35/49/81/187354981.db2.gz JCSFYSCQPWVAPP-UONOGXRCSA-N 1 0 263.381 3.303 40 0 CGABRO Cc1cc(C)c(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000000167007 344854098 /nfs/dbraw/zinc/85/40/98/344854098.db2.gz RRGHERDNNOVPPF-SJORKVTESA-N 1 0 291.435 3.226 40 0 CGABRO CC(C)[C@H]1C[C@H]([NH3+])c2cc(Br)ccc2O1 ZINC000130879620 346061327 /nfs/dbraw/zinc/06/13/27/346061327.db2.gz FLTFNJGIJIYDQX-CMPLNLGQSA-N 1 0 270.170 3.256 40 0 CGABRO c1cc2n(c1)C[C@@H](CCOCC1CC1)C[N@H+](C1CCC1)C2 ZINC000585095288 346724351 /nfs/dbraw/zinc/72/43/51/346724351.db2.gz NORALQMJOHNJIF-MRXNPFEDSA-N 1 0 288.435 3.289 40 0 CGABRO CC(C)C[NH2+][C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585289214 346725856 /nfs/dbraw/zinc/72/58/56/346725856.db2.gz GEATWZRAWWGXOS-ARFHVFGLSA-N 1 0 297.826 3.246 40 0 CGABRO CN(C)c1ccc2c(c1)S[C@H]1CC(=[NH2+])CC[C@H]1N2 ZINC000604940885 348138724 /nfs/dbraw/zinc/13/87/24/348138724.db2.gz AVOGIHRAPDCQKW-YPMHNXCESA-N 1 0 261.394 3.211 40 0 CGABRO [NH3+][C@@H]1CCCC[C@@H]1Nc1cccc(C(F)(F)F)c1 ZINC000218860232 376190973 /nfs/dbraw/zinc/19/09/73/376190973.db2.gz SZOJJWMTFAQNHM-NEPJUHHUSA-N 1 0 258.287 3.387 40 0 CGABRO O=c1oc2ccccc2c(Cl)c1C[NH+]1CCCCC1 ZINC000000247568 368324190 /nfs/dbraw/zinc/32/41/90/368324190.db2.gz LMMGOENYJITZTD-UHFFFAOYSA-N 1 0 277.751 3.432 40 0 CGABRO CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccc[n+](C)c3)[C@@H]1[C@@H]2C ZINC000000519515 368382284 /nfs/dbraw/zinc/38/22/84/368382284.db2.gz JHAJBRWIERGXKC-COEWEUQVSA-N 1 0 258.385 3.047 40 0 CGABRO CC(C)CC[NH2+][C@H](C)[C@H](C)OC(=O)c1ccccc1 ZINC000001669894 368429108 /nfs/dbraw/zinc/42/91/08/368429108.db2.gz MYABYHYFAJCXMS-KGLIPLIRSA-N 1 0 263.381 3.256 40 0 CGABRO CC1(CC[NH3+])COC(c2ccccc2)(c2ccccc2)OC1 ZINC000001671122 368429169 /nfs/dbraw/zinc/42/91/69/368429169.db2.gz FDCZQKDVRSMUTE-UHFFFAOYSA-N 1 0 297.398 3.290 40 0 CGABRO C[NH+](C)C[C@H](O)c1ccc2oc3ccccc3c2c1 ZINC000004933913 368559869 /nfs/dbraw/zinc/55/98/69/368559869.db2.gz WBDAUDFPTHOOIE-AWEZNQCLSA-N 1 0 255.317 3.181 40 0 CGABRO CC[C@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000036092695 369007723 /nfs/dbraw/zinc/00/77/23/369007723.db2.gz NRJIKAHGLFNCAB-GJZGRUSLSA-N 1 0 288.435 3.447 40 0 CGABRO Cc1ccc(C)c(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000046959976 369301636 /nfs/dbraw/zinc/30/16/36/369301636.db2.gz VVDACMDUKYEGKS-OAHLLOKOSA-N 1 0 288.435 3.155 40 0 CGABRO c1ccc(Cc2nnc([C@H]3CC[N@@H+](C4CCC4)C3)o2)cc1 ZINC000049169813 369390639 /nfs/dbraw/zinc/39/06/39/369390639.db2.gz VNIFENYSAYWLNF-AWEZNQCLSA-N 1 0 283.375 3.002 40 0 biogenic,in-vitro CGABRO C[NH2+][C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000053201652 369480763 /nfs/dbraw/zinc/48/07/63/369480763.db2.gz ZZNZKORNGZGGMK-SNVBAGLBSA-N 1 0 273.207 3.177 40 0 CGABRO C[NH+]1CCC(O)(c2ccc(Oc3ccccc3)cc2)CC1 ZINC000079030437 369960180 /nfs/dbraw/zinc/96/01/80/369960180.db2.gz PVCNUFKAUVAXGP-UHFFFAOYSA-N 1 0 283.371 3.392 40 0 CGABRO CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079437256 369969082 /nfs/dbraw/zinc/96/90/82/369969082.db2.gz OMQCCLGWHQLMJN-HZPDHXFCSA-N 1 0 290.407 3.222 40 0 CGABRO C[NH2+][C@H]1CCCC[C@H]1N(Cc1ccccc1)C(C)C ZINC000079437971 369969216 /nfs/dbraw/zinc/96/92/16/369969216.db2.gz JDKQBFSTIDIKID-DLBZAZTESA-N 1 0 260.425 3.428 40 0 CGABRO c1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ccccn2)C3)co1 ZINC000096216626 370209140 /nfs/dbraw/zinc/20/91/40/370209140.db2.gz ZXEMTJHLKFXPOH-GOSISDBHSA-N 1 0 297.402 3.167 40 0 CGABRO Cc1cnc(C2(C)CC[NH+](Cc3cncs3)CC2)s1 ZINC000257204470 190011659 /nfs/dbraw/zinc/01/16/59/190011659.db2.gz AUTIMXLMJWBALG-UHFFFAOYSA-N 1 0 293.461 3.462 40 0 CGABRO c1ccc2ncc(CC3CC[NH+]([C@@H]4CCOC4)CC3)cc2c1 ZINC000257230967 190016015 /nfs/dbraw/zinc/01/60/15/190016015.db2.gz GEQZLDFMYUGDJU-GOSISDBHSA-N 1 0 296.414 3.278 40 0 CGABRO Cc1ccsc1C[N@H+]1CC[C@H](c2n[nH]cc2C)C1 ZINC000257231545 190016205 /nfs/dbraw/zinc/01/62/05/190016205.db2.gz GHFDYIHGKHNOEK-LBPRGKRZSA-N 1 0 261.394 3.078 40 0 CGABRO CCN(C)[C@H]1C[N@H+](CC2CC2)C2(C1)CCCCC2 ZINC000257242211 190018896 /nfs/dbraw/zinc/01/88/96/190018896.db2.gz IBNMUPSKSRMMHL-OAHLLOKOSA-N 1 0 250.430 3.125 40 0 CGABRO Cc1ccc(C[N@@H+]2CCC[C@@H]2CCc2ccncc2)cn1 ZINC000257263304 190022664 /nfs/dbraw/zinc/02/26/64/190022664.db2.gz LPFISWWMKMZSIZ-GOSISDBHSA-N 1 0 281.403 3.382 40 0 CGABRO c1c[nH]c(C[N@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)n1 ZINC000257304368 190030388 /nfs/dbraw/zinc/03/03/88/190030388.db2.gz SLHWDSHDGVSENU-AWEZNQCLSA-N 1 0 292.386 3.023 40 0 CGABRO c1nc(C[N@H+]2CCC[C@H]2CCc2ccncc2)cs1 ZINC000257302408 190030495 /nfs/dbraw/zinc/03/04/95/190030495.db2.gz SCVUSRDXYREUDZ-HNNXBMFYSA-N 1 0 273.405 3.135 40 0 CGABRO Cc1cncc(C2CC[NH+](Cc3cccs3)CC2)n1 ZINC000257332107 190035928 /nfs/dbraw/zinc/03/59/28/190035928.db2.gz XVUONZWLXNXGGX-UHFFFAOYSA-N 1 0 273.405 3.226 40 0 CGABRO COCC[NH2+]Cc1cccn1-c1ccc(C)c(Cl)c1 ZINC000223687655 376258577 /nfs/dbraw/zinc/25/85/77/376258577.db2.gz YFOPAOMELIGFIJ-UHFFFAOYSA-N 1 0 278.783 3.175 40 0 CGABRO CC[NH2+]Cc1c(C)n(CC(C)C)c2ccc(O)cc12 ZINC000223761631 376262958 /nfs/dbraw/zinc/26/29/58/376262958.db2.gz KMNFEQKIWHFJJH-UHFFFAOYSA-N 1 0 260.381 3.421 40 0 CGABRO Nc1cccc(OC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000575423511 377907540 /nfs/dbraw/zinc/90/75/40/377907540.db2.gz OJRFXDKTTSMNFC-QGZVFWFLSA-N 1 0 282.387 3.312 40 0 CGABRO C[n+]1c2ccccc2sc1COc1ccccc1O ZINC000000055479 169519915 /nfs/dbraw/zinc/51/99/15/169519915.db2.gz YMSITCWJKRYOBF-UHFFFAOYSA-O 1 0 272.349 3.010 40 0 CGABRO [NH3+]Cc1cc2ccc(Br)cc2nc1Cl ZINC000259379580 542354941 /nfs/dbraw/zinc/35/49/41/542354941.db2.gz MMTFPMBLHOTMAW-UHFFFAOYSA-N 1 0 271.545 3.109 40 0 CGABRO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)c[nH]1 ZINC000072212246 392197037 /nfs/dbraw/zinc/19/70/37/392197037.db2.gz LAJNOAGYWCATFQ-HNNXBMFYSA-N 1 0 254.333 3.124 40 0 CGABRO c1cc(N2CCCCCC2)ncc1C1=[NH+]CCCC1 ZINC000072216653 392199909 /nfs/dbraw/zinc/19/99/09/392199909.db2.gz XTMZBWXJDLJTCA-UHFFFAOYSA-N 1 0 257.381 3.435 40 0 CGABRO Cc1cc(N2CC[NH+](C)CC2)ncc1SC(C)(C)C ZINC000072223615 392203075 /nfs/dbraw/zinc/20/30/75/392203075.db2.gz GDOIVOKWIAOEJL-UHFFFAOYSA-N 1 0 279.453 3.032 40 0 CGABRO CC[NH+]1CCN(c2ccc(SC(C)(C)C)c(C)n2)CC1 ZINC000072224686 392204466 /nfs/dbraw/zinc/20/44/66/392204466.db2.gz KQZREYMTCOMQMF-UHFFFAOYSA-N 1 0 293.480 3.423 40 0 CGABRO CCNc1cc(N2Cc3ccccc3C[C@H]2C)nc(C)[nH+]1 ZINC000329055334 392677194 /nfs/dbraw/zinc/67/71/94/392677194.db2.gz VMUMHVSQNCFUKG-GFCCVEGCSA-N 1 0 282.391 3.168 40 0 CGABRO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]([NH3+])C(C)(C)C ZINC000072208709 397640227 /nfs/dbraw/zinc/64/02/27/397640227.db2.gz VJANFPNTCOWLKL-NWDGAFQWSA-N 1 0 270.417 3.149 40 0 CGABRO CCOC(=O)C[C@@H]([NH2+]C1CC1)c1cccc(Cl)c1 ZINC000072210285 397640511 /nfs/dbraw/zinc/64/05/11/397640511.db2.gz FKQVYPZPQYRISB-CYBMUJFWSA-N 1 0 267.756 3.086 40 0 CGABRO CCOC(=O)C[C@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000072210282 397640591 /nfs/dbraw/zinc/64/05/91/397640591.db2.gz CXITWRHUFOVUTP-ZDUSSCGKSA-N 1 0 267.756 3.086 40 0 CGABRO CCCC[NH+](CCCC)CCC[C@@H](C(C)=O)C(=O)OCC ZINC000004720941 170004654 /nfs/dbraw/zinc/00/46/54/170004654.db2.gz SHSDJEPNRYJHJT-INIZCTEOSA-N 1 0 299.455 3.437 40 0 CGABRO C[n+]1ccc(C=Cc2c[nH]nc2-c2cccs2)cc1 ZINC000004906721 170040139 /nfs/dbraw/zinc/04/01/39/170040139.db2.gz PKANEORCYZPBMX-UHFFFAOYSA-O 1 0 268.365 3.133 40 0 CGABRO CCc1ccc[n+](CC[C@@H]2CNc3ccccc32)c1 ZINC000005393022 170093832 /nfs/dbraw/zinc/09/38/32/170093832.db2.gz KDYWGFDFVVEVBZ-OAHLLOKOSA-N 1 0 253.369 3.136 40 0 CGABRO CC[NH+](CC)CCCNC(=O)Nc1cccc(Cl)c1 ZINC000006462734 170202898 /nfs/dbraw/zinc/20/28/98/170202898.db2.gz DPIXCRWFXITRJN-UHFFFAOYSA-N 1 0 283.803 3.193 40 0 CGABRO COC(=O)/C(=C/c1ccccc1)C[N@@H+]1CCCC[C@H]1C ZINC000006488214 170205261 /nfs/dbraw/zinc/20/52/61/170205261.db2.gz CYTSEDNEUSSRPV-RGHBXIHOSA-N 1 0 273.376 3.117 40 0 CGABRO Cc1cccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019789546 170867408 /nfs/dbraw/zinc/86/74/08/170867408.db2.gz HTTKOPRCEBLRIR-YZGWKJHDSA-N 1 0 296.458 3.325 40 0 CGABRO CCC[NH+]1CCC(O)(c2cccc(SC)c2)CC1 ZINC000022060904 171351552 /nfs/dbraw/zinc/35/15/52/171351552.db2.gz SSNWMPRWIIBOCB-UHFFFAOYSA-N 1 0 265.422 3.102 40 0 in-vitro CGABRO CCCCOc1ccc(C[NH2+]CC)cc1OCC ZINC000033435297 171796314 /nfs/dbraw/zinc/79/63/14/171796314.db2.gz ZGSYGDGUYYGFNZ-UHFFFAOYSA-N 1 0 251.370 3.374 40 0 CGABRO Fc1ccc2oc([C@H]3CC[N@H+](Cc4ccccn4)C3)nc2c1 ZINC000035446911 172202822 /nfs/dbraw/zinc/20/28/22/172202822.db2.gz GWQKYGUCUMMEBY-LBPRGKRZSA-N 1 0 297.333 3.351 40 0 biogenic,in-vitro CGABRO CC(C)C[C@@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441122 173210255 /nfs/dbraw/zinc/21/02/55/173210255.db2.gz WKHWVBBIIZLYIH-SECBINFHSA-N 1 0 282.185 3.371 40 0 CGABRO Nc1ccc(C[NH+]2CCCCC2)c(Br)c1 ZINC000037460446 173224083 /nfs/dbraw/zinc/22/40/83/173224083.db2.gz FDXNEOALKDZIHK-UHFFFAOYSA-N 1 0 269.186 3.017 40 0 CGABRO c1cn(-c2cccc([C@H]3CCC[N@H+]3C3CCCC3)n2)cn1 ZINC000072355518 176374648 /nfs/dbraw/zinc/37/46/48/176374648.db2.gz DVEOHQCMAZLYHO-MRXNPFEDSA-N 1 0 282.391 3.347 40 0 CGABRO COc1ccccc1Cc1cc([C@@H]2CCC[NH2+]C2)ccn1 ZINC000072365269 176380402 /nfs/dbraw/zinc/38/04/02/176380402.db2.gz MZKDSOMMLLPZSF-MRXNPFEDSA-N 1 0 282.387 3.148 40 0 CGABRO c1cc2cc(C[C@@H]3CC[N@H+](Cc4ccncc4)C3)cnc2[nH]1 ZINC000072367622 176382792 /nfs/dbraw/zinc/38/27/92/176382792.db2.gz CNIFZQZGSSJELU-HNNXBMFYSA-N 1 0 292.386 3.023 40 0 CGABRO Cc1cncc([C@@H]2CCC[N@H+](Cc3ccsc3)C2)n1 ZINC000072369406 176384236 /nfs/dbraw/zinc/38/42/36/176384236.db2.gz FTVVUQPQVGUCMQ-CQSZACIVSA-N 1 0 273.405 3.226 40 0 CGABRO Clc1ccc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000072381580 176387547 /nfs/dbraw/zinc/38/75/47/176387547.db2.gz MJHFNQHUYKJNAD-GFCCVEGCSA-N 1 0 261.756 3.053 40 0 CGABRO c1cc(NC2CCCCC2)cc(C2CC[NH2+]CC2)n1 ZINC000072386433 176391328 /nfs/dbraw/zinc/39/13/28/176391328.db2.gz JVRBGBJOIZVHPD-UHFFFAOYSA-N 1 0 259.397 3.293 40 0 CGABRO O[C@@H](C[NH+]1CCCCC1)c1ccc2c3c(cccc31)CC2 ZINC000001667638 275051060 /nfs/dbraw/zinc/05/10/60/275051060.db2.gz XCYFCBPCWVSBIP-SFHVURJKSA-N 1 0 281.399 3.458 40 0 CGABRO CC(C)c1[nH]c2ncccc2c1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000019497523 275720314 /nfs/dbraw/zinc/72/03/14/275720314.db2.gz CPHPWTVYENAAHA-STQMWFEESA-N 1 0 287.407 3.296 40 0 CGABRO CC(C)c1ccccc1NC(=O)C1CC[NH+](C)CC1 ZINC000074713332 275754569 /nfs/dbraw/zinc/75/45/69/275754569.db2.gz YUUJQECFHNSVJV-UHFFFAOYSA-N 1 0 260.381 3.090 40 0 CGABRO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[NH2+]2)c2ccccc21 ZINC000521396062 278409604 /nfs/dbraw/zinc/40/96/04/278409604.db2.gz PJIWYCJOMBTJBX-KRWDZBQOSA-N 1 0 288.391 3.411 40 0 CGABRO CC[C@H](OC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000002694576 281011943 /nfs/dbraw/zinc/01/19/43/281011943.db2.gz DKNKMLJZGLSJIR-ROUUACIJSA-N 1 0 291.435 3.247 40 0 CGABRO [NH3+]Cc1c[nH]c(=S)n1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC000004631293 295276784 /nfs/dbraw/zinc/27/67/84/295276784.db2.gz YZZVIKDAOTXDEB-SNVBAGLBSA-N 1 0 295.358 3.013 40 0 CGABRO [NH3+]Cc1ccc(-c2nc3cc(Cl)cnc3o2)cc1 ZINC000078406932 295277418 /nfs/dbraw/zinc/27/74/18/295277418.db2.gz ROKRWZVXLVCQQW-UHFFFAOYSA-N 1 0 259.696 3.002 40 0 CGABRO CC(C)OC(=O)c1ccc(C[NH+]2CCCCCC2)o1 ZINC000062718790 519752149 /nfs/dbraw/zinc/75/21/49/519752149.db2.gz GHJDKNOZLADDAL-UHFFFAOYSA-N 1 0 265.353 3.221 40 0 CGABRO CC[C@H](C(=O)c1ccc2c(c1)CCC2)[NH+]1CCCC1 ZINC000299817149 567149422 /nfs/dbraw/zinc/14/94/22/567149422.db2.gz HLBROWUOAAQHCM-MRXNPFEDSA-N 1 0 257.377 3.232 40 0 in-vitro CGABRO CCOc1ccc(NC2CC[NH+](CC)CC2)cc1F ZINC000135806118 625640565 /nfs/dbraw/zinc/64/05/65/625640565.db2.gz CWWTZFJZNDVXKT-UHFFFAOYSA-N 1 0 266.360 3.121 40 0 CGABRO Cc1ccc(-c2nnc([C@H]([NH3+])Cc3ccccc3)[nH]2)cc1 ZINC000095534910 185008607 /nfs/dbraw/zinc/00/86/07/185008607.db2.gz QIHJHCWMAQBENW-OAHLLOKOSA-N 1 0 278.359 3.023 40 0 CGABRO c1ccc(COc2ccc([C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000075725104 345520720 /nfs/dbraw/zinc/52/07/20/345520720.db2.gz RKTOXDUTDONIFA-MRXNPFEDSA-N 1 0 253.345 3.343 40 0 CGABRO C[NH+](C)C[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000217809007 346291826 /nfs/dbraw/zinc/29/18/26/346291826.db2.gz WYPJAPCMQZBXCK-JQWIXIFHSA-N 1 0 254.171 3.114 40 0 CGABRO CCCCOc1ccc(Cl)cc1-c1noc(CC[NH3+])n1 ZINC000256050214 346398955 /nfs/dbraw/zinc/39/89/55/346398955.db2.gz DEUPUDSFPJWEHD-UHFFFAOYSA-N 1 0 295.770 3.070 40 0 CGABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C)C)nc1C ZINC000072218759 283322191 /nfs/dbraw/zinc/32/21/91/283322191.db2.gz CDMROGOMACUMHY-HNNXBMFYSA-N 1 0 261.413 3.393 40 0 CGABRO CCc1ccc(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000000064540 368281022 /nfs/dbraw/zinc/28/10/22/368281022.db2.gz VMDAXPFTCFMPFN-HLLBOEOZSA-N 1 0 291.435 3.252 40 0 CGABRO CC[NH+](CC)CCCNc1cccc2c(OC)ccnc12 ZINC000001592037 368422067 /nfs/dbraw/zinc/42/20/67/368422067.db2.gz WIUSNONDOFFMOT-UHFFFAOYSA-N 1 0 287.407 3.387 40 0 CGABRO C[NH+](C)C[C@H](C(=O)Cc1ccccc1)c1ccccc1 ZINC000002042527 368444234 /nfs/dbraw/zinc/44/42/34/368444234.db2.gz NIISBOCIVFUFDB-KRWDZBQOSA-N 1 0 267.372 3.144 40 0 CGABRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCO)c1ccccc1 ZINC000001666279 368427656 /nfs/dbraw/zinc/42/76/56/368427656.db2.gz KNEGDSSMOSXWRT-WMLDXEAASA-N 1 0 255.361 3.113 40 0 CGABRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CCCCO)cc1 ZINC000001666322 368427933 /nfs/dbraw/zinc/42/79/33/368427933.db2.gz FSVBWWLKEJVIPQ-IBGZPJMESA-N 1 0 299.414 3.341 40 0 CGABRO CCCC[NH+]1CCC2(CC1)COCc1ccccc12 ZINC000001869816 368440425 /nfs/dbraw/zinc/44/04/25/368440425.db2.gz UAQSQZKKDDTZTH-UHFFFAOYSA-N 1 0 259.393 3.351 40 0 CGABRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000002736476 368474136 /nfs/dbraw/zinc/47/41/36/368474136.db2.gz ZCGDZNKSCOCGDN-TZMCWYRMSA-N 1 0 293.407 3.381 40 0 CGABRO [NH3+]CCSc1cc(C(F)(F)F)nc2ccc(F)cc21 ZINC000002525207 368460616 /nfs/dbraw/zinc/46/06/16/368460616.db2.gz YAAIOZAFRUBLNR-UHFFFAOYSA-N 1 0 290.285 3.444 40 0 CGABRO CC[C@H]1C[C@@H](CNC(=O)OCC[NH+](CC)CC)C1(C)C ZINC000004191310 368534999 /nfs/dbraw/zinc/53/49/99/368534999.db2.gz CZZWABSJFGCIPD-KBPBESRZSA-N 1 0 284.444 3.127 40 0 CGABRO COc1cc2c(cc1OCc1ccccc1)[C@H](C)[NH2+]CC2 ZINC000003847305 368521268 /nfs/dbraw/zinc/52/12/68/368521268.db2.gz UJUNDAYVNBUMOJ-ZDUSSCGKSA-N 1 0 283.371 3.481 40 0 CGABRO Cc1cccc(C)c1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000012169981 368605432 /nfs/dbraw/zinc/60/54/32/368605432.db2.gz GUZAMDMFRDCEJA-JKIFEVAISA-N 1 0 291.435 3.021 40 0 CGABRO CC1CC[NH+](CCCNC(=S)Nc2ccccc2)CC1 ZINC000013612129 368659055 /nfs/dbraw/zinc/65/90/55/368659055.db2.gz OSHXPGBVGMUWPH-UHFFFAOYSA-N 1 0 291.464 3.095 40 0 CGABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1 ZINC000019575136 368757174 /nfs/dbraw/zinc/75/71/74/368757174.db2.gz QNITWHLGUAZIOT-IUODEOHRSA-N 1 0 264.800 3.009 40 0 CGABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCCC1)C2 ZINC000035075037 368996712 /nfs/dbraw/zinc/99/67/12/368996712.db2.gz XXJCVFHPGVFRGI-HPFXQQBRSA-N 1 0 295.467 3.065 40 0 CGABRO CCOc1cc(C[NH2+]CCOC)ccc1OC1CCCC1 ZINC000062731210 369630465 /nfs/dbraw/zinc/63/04/65/369630465.db2.gz VAQRHJJWLUHRJD-UHFFFAOYSA-N 1 0 293.407 3.143 40 0 CGABRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000067801150 369730107 /nfs/dbraw/zinc/73/01/07/369730107.db2.gz VWLSSVHMGGWIDG-HNNXBMFYSA-N 1 0 290.407 3.094 40 0 CGABRO C[NH+]1CCC(CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000074921004 369890510 /nfs/dbraw/zinc/89/05/10/369890510.db2.gz HAVOYAZOTINVKN-UHFFFAOYSA-N 1 0 266.772 3.010 40 0 CGABRO C[NH2+][C@@H]1CCCC[C@@H]1N(Cc1ccccc1)C(C)C ZINC000100449925 370278892 /nfs/dbraw/zinc/27/88/92/370278892.db2.gz JDKQBFSTIDIKID-SJORKVTESA-N 1 0 260.425 3.428 40 0 CGABRO CCCn1cc(C[NH2+]Cc2ccnn2[C@@H](C)CC)c(C)n1 ZINC000256051819 190003578 /nfs/dbraw/zinc/00/35/78/190003578.db2.gz KOYIJIKNAZHVBR-ZDUSSCGKSA-N 1 0 289.427 3.059 40 0 CGABRO c1cc2nccc(C3CC[NH+](Cc4ccsc4)CC3)n2n1 ZINC000257216961 190014013 /nfs/dbraw/zinc/01/40/13/190014013.db2.gz CWWGOJOXKRQWMG-UHFFFAOYSA-N 1 0 298.415 3.170 40 0 CGABRO Cc1nccc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000257235322 190017342 /nfs/dbraw/zinc/01/73/42/190017342.db2.gz GXILLYYBMYGPHW-HNNXBMFYSA-N 1 0 285.366 3.304 40 0 CGABRO CCCn1nccc1-c1ccc(CC2CC[NH+](C)CC2)cn1 ZINC000257233728 190017388 /nfs/dbraw/zinc/01/73/88/190017388.db2.gz GQMGRIHZNLZZHU-UHFFFAOYSA-N 1 0 298.434 3.239 40 0 CGABRO Cc1cccnc1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC000257288549 190026934 /nfs/dbraw/zinc/02/69/34/190026934.db2.gz PUQGEBBWNCDICR-UHFFFAOYSA-N 1 0 281.403 3.240 40 0 CGABRO Cc1cc(CC2CC[NH+](CC3CCOCC3)CC2)ccn1 ZINC000257290137 190027927 /nfs/dbraw/zinc/02/79/27/190027927.db2.gz QBSQAQPPSIHNHA-UHFFFAOYSA-N 1 0 288.435 3.071 40 0 CGABRO Cc1cnc(Nc2cccc(C[C@@H]3CCC[NH2+]C3)n2)s1 ZINC000257290877 190027940 /nfs/dbraw/zinc/02/79/40/190027940.db2.gz QERMOSOZKLAHBG-LBPRGKRZSA-N 1 0 288.420 3.132 40 0 CGABRO c1c[nH]c(C[N@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)n1 ZINC000257304369 190030312 /nfs/dbraw/zinc/03/03/12/190030312.db2.gz SLHWDSHDGVSENU-CQSZACIVSA-N 1 0 292.386 3.023 40 0 CGABRO COCCC[NH2+]Cc1ccn([C@@H](C)c2ccccc2)c1 ZINC000223695094 376260805 /nfs/dbraw/zinc/26/08/05/376260805.db2.gz CTXBPERBWAUCRI-HNNXBMFYSA-N 1 0 272.392 3.224 40 0 CGABRO Cc1cn2c(cccc2[C@@H]2CCCN2c2cc(C)ncn2)n1 ZINC000257226361 377795478 /nfs/dbraw/zinc/79/54/78/377795478.db2.gz FKIPOTCQNZGLAR-AWEZNQCLSA-N 1 0 293.374 3.083 40 0 CGABRO Cc1cc(-c2cc(C)nc([C@H]3CCC[N@@H+](C(C)C)C3)n2)n[nH]1 ZINC000257268697 377796818 /nfs/dbraw/zinc/79/68/18/377796818.db2.gz MMUZNEISMROCLO-AWEZNQCLSA-N 1 0 299.422 3.071 40 0 CGABRO CCCC(CCC)CCC[C@@H]1COCC[N@@H+]1CCO ZINC000031283194 391962287 /nfs/dbraw/zinc/96/22/87/391962287.db2.gz QSFOWAYMMZCQNF-MRXNPFEDSA-N 1 0 271.445 3.066 40 0 in-man CGABRO CC(C)n1c2ccc(Cl)cc2nc1CCC[NH3+] ZINC000037440696 391980409 /nfs/dbraw/zinc/98/04/09/391980409.db2.gz LAGPBHCFOPPWQM-UHFFFAOYSA-N 1 0 251.761 3.162 40 0 CGABRO [NH3+]C[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000054561859 392092506 /nfs/dbraw/zinc/09/25/06/392092506.db2.gz LZPGXIBBYHVXSV-WBVHZDCISA-N 1 0 253.345 3.328 40 0 CGABRO CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072214331 392198938 /nfs/dbraw/zinc/19/89/38/392198938.db2.gz ZDNLVWBDLVKZEU-GFCCVEGCSA-N 1 0 277.368 3.243 40 0 CGABRO Cc1cc([C@@H]2CCC[N@H+]2C)cnc1N1CCCCC1 ZINC000072219145 392199940 /nfs/dbraw/zinc/19/99/40/392199940.db2.gz UGSRPJZBSJGSRI-HNNXBMFYSA-N 1 0 259.397 3.147 40 0 CGABRO Cc1[nH]c(=O)ccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218190 392200072 /nfs/dbraw/zinc/20/00/72/392200072.db2.gz IEAXVUIACKEVQA-MRXNPFEDSA-N 1 0 268.360 3.433 40 0 CGABRO Cc1nc(N2CCCCC2)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224555 392204828 /nfs/dbraw/zinc/20/48/28/392204828.db2.gz XSIZQVSJHHXAOG-SFHVURJKSA-N 1 0 281.403 3.428 40 0 CGABRO CC12c3ccccc3C(c3ccccc31)[C@@H]1C[NH2+]C[C@@H]12 ZINC000072397455 392205801 /nfs/dbraw/zinc/20/58/01/392205801.db2.gz QJGCHEPPYDFSSH-WBQSDOAFSA-N 1 0 261.368 3.287 40 0 CGABRO Clc1ccccc1-c1n[nH]c2c1[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000096510284 392257378 /nfs/dbraw/zinc/25/73/78/392257378.db2.gz DOINDORTQIVRBG-GZMMTYOYSA-N 1 0 259.740 3.079 40 0 CGABRO Cc1cc(N)c(NC(=O)C(C)C)cc1N1CCC[C@@H](C)C1 ZINC000216864788 392992710 /nfs/dbraw/zinc/99/27/10/392992710.db2.gz UMVVSMBPPBPDNF-GFCCVEGCSA-N 1 0 289.423 3.408 40 0 CGABRO CC1CC[NH+](CC(=O)N[C@@]2(C)[C@@H]3CC[C@@H](C3)C2(C)C)CC1 ZINC000005000561 170052538 /nfs/dbraw/zinc/05/25/38/170052538.db2.gz YRWJLJMGXDZMGF-DAYGRLMNSA-N 1 0 292.467 3.049 40 0 CGABRO Cc1cc(/C=C/c2cc[n+](C)cc2)c(C)n1C1CC1 ZINC000005002295 170053326 /nfs/dbraw/zinc/05/33/26/170053326.db2.gz OOWZVADCPKQJDL-UHFFFAOYSA-N 1 0 253.369 3.435 40 0 CGABRO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000008325892 170331381 /nfs/dbraw/zinc/33/13/81/170331381.db2.gz GXEABTYHIZXZEP-SECBINFHSA-N 1 0 257.761 3.245 40 0 CGABRO COc1cccc(C=O)c1OCCC[NH+]1CCCCCC1 ZINC000008731500 170351080 /nfs/dbraw/zinc/35/10/80/170351080.db2.gz PMMADLXZUZJJNU-UHFFFAOYSA-N 1 0 291.391 3.153 40 0 CGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCOc2cccc(C=O)c2)C1 ZINC000009261550 170369392 /nfs/dbraw/zinc/36/93/92/170369392.db2.gz KJBAYMCRJXSYAF-HUUCEWRRSA-N 1 0 275.392 3.246 40 0 CGABRO CC[C@H]1CCCC[N@@H+]1CCOc1ccc(C=O)cc1 ZINC000020131544 171020132 /nfs/dbraw/zinc/02/01/32/171020132.db2.gz RAPRUKAIXIUSDA-HNNXBMFYSA-N 1 0 261.365 3.142 40 0 CGABRO Fc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccccn4)C3)nc2c1 ZINC000035446608 172202903 /nfs/dbraw/zinc/20/29/03/172202903.db2.gz HWSDZIQRRDTDDW-LBPRGKRZSA-N 1 0 296.349 3.087 40 0 biogenic,in-vitro CGABRO Clc1ccc(CNC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000072203698 176341949 /nfs/dbraw/zinc/34/19/49/176341949.db2.gz HIGXXIVDJZNECU-GFCCVEGCSA-N 1 0 273.207 3.225 40 0 CGABRO Fc1ccccc1-c1cc(C2CC[NH2+]CC2)ccn1 ZINC000072386785 176392170 /nfs/dbraw/zinc/39/21/70/176392170.db2.gz KYJIIEFUFSGMIO-UHFFFAOYSA-N 1 0 256.324 3.355 40 0 CGABRO Fc1ccccc1-c1cc([C@@H]2CCC[NH2+]C2)ccn1 ZINC000072386783 176392176 /nfs/dbraw/zinc/39/21/76/176392176.db2.gz JBUXDKSAFRXOGZ-CYBMUJFWSA-N 1 0 256.324 3.355 40 0 CGABRO Cc1ccccc1-c1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000072386634 176392240 /nfs/dbraw/zinc/39/22/40/176392240.db2.gz NINVSIAOQKUTDB-UHFFFAOYSA-N 1 0 267.376 3.227 40 0 CGABRO O[C@H](C[NH+]1CCCCC1)c1ccc2c3c(cccc31)CC2 ZINC000017299234 275056763 /nfs/dbraw/zinc/05/67/63/275056763.db2.gz XCYFCBPCWVSBIP-GOSISDBHSA-N 1 0 281.399 3.458 40 0 CGABRO CC(C)N(Cc1c(Cl)cccc1Cl)C(=O)[C@H](C)[NH3+] ZINC000079420302 275621592 /nfs/dbraw/zinc/62/15/92/275621592.db2.gz KDXDCNZWEOVLMA-VIFPVBQESA-N 1 0 289.206 3.078 40 0 CGABRO CC[N@@H+]1CCC[C@@H]1c1cnc(N2CCCC2)cc1C ZINC000072218851 279315467 /nfs/dbraw/zinc/31/54/67/279315467.db2.gz AKWDUUPDZNYMBP-OAHLLOKOSA-N 1 0 259.397 3.147 40 0 CGABRO C[C@H]1C[C@@H](OC[C@H](O)C[NH+]2CCCCC2)CC(C)(C)C1 ZINC000006008114 279973777 /nfs/dbraw/zinc/97/37/77/279973777.db2.gz AMTVBNMAIGCREU-ARFHVFGLSA-N 1 0 283.456 3.065 40 0 CGABRO CC(C)[C@H]1C[C@@H](C[NH+]2CCCCC2)[C@H](C)[C@@H](O)C1 ZINC000004726946 280434831 /nfs/dbraw/zinc/43/48/31/280434831.db2.gz HHGGWQPKVIPABL-VGWMRTNUSA-N 1 0 253.430 3.152 40 0 CGABRO Cc1cc(N(C)C)ncc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072218700 301329723 /nfs/dbraw/zinc/32/97/23/301329723.db2.gz GEKBCDMVDFNVKO-HNNXBMFYSA-N 1 0 261.413 3.391 40 0 CGABRO FC(F)(F)CCN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096075227 303113007 /nfs/dbraw/zinc/11/30/07/303113007.db2.gz MXTHSUDIZNJEFW-UHFFFAOYSA-N 1 0 290.373 3.279 40 0 CGABRO Cc1cc(C)nc(NCCC[NH2+]C/C=C/c2ccccc2)n1 ZINC000062717856 333176080 /nfs/dbraw/zinc/17/60/80/333176080.db2.gz QPVHYYCHZJFFOW-UXBLZVDNSA-N 1 0 296.418 3.198 40 0 CGABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(OC)c1O ZINC000004255591 522485230 /nfs/dbraw/zinc/48/52/30/522485230.db2.gz XVPRDKDPCAEZNC-GFCCVEGCSA-N 1 0 287.359 3.260 40 0 CGABRO CC(C)[C@@H]1C[C@H]([NH3+])c2cc(Br)ccc2O1 ZINC000130879412 346061804 /nfs/dbraw/zinc/06/18/04/346061804.db2.gz FLTFNJGIJIYDQX-JQWIXIFHSA-N 1 0 270.170 3.256 40 0 CGABRO C1CCC(O[C@@H]2CCCC[C@H]2[N@@H+]2CCN[C@@H]3CCC[C@@H]32)C1 ZINC000225718134 346305231 /nfs/dbraw/zinc/30/52/31/346305231.db2.gz RUBZSLWQDHSQAX-XMTFNYHQSA-N 1 0 292.467 3.083 40 0 CGABRO COc1cc2cc[n+](C)c(Cc3ccccc3)c2cc1OC ZINC000001669231 368429342 /nfs/dbraw/zinc/42/93/42/368429342.db2.gz IABYMOPVGIZIMO-UHFFFAOYSA-N 1 0 294.374 3.272 40 0 CGABRO COC(=O)c1ccc[n+](Cc2c(Cl)cccc2Cl)c1 ZINC000001708653 368432916 /nfs/dbraw/zinc/43/29/16/368432916.db2.gz YVWJARSSKOOQHX-UHFFFAOYSA-N 1 0 297.161 3.116 40 0 CGABRO CC(=O)OCCn1c(C)nc2cc(Cl)c(Cl)cc21 ZINC000001726647 368435739 /nfs/dbraw/zinc/43/57/39/368435739.db2.gz SNYPYUFXVIJUNY-UHFFFAOYSA-N 1 0 287.146 3.215 40 0 CGABRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000002675092 368472840 /nfs/dbraw/zinc/47/28/40/368472840.db2.gz NEDDHYXPADOFIQ-CQSZACIVSA-N 1 0 297.414 3.370 40 0 CGABRO CC[C@@H](OC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000002694577 368473077 /nfs/dbraw/zinc/47/30/77/368473077.db2.gz DKNKMLJZGLSJIR-ZWKOTPCHSA-N 1 0 291.435 3.247 40 0 CGABRO c1coc(C[NH+]2CCC(c3ccc4c(c3)OCO4)CC2)c1 ZINC000012113970 368603527 /nfs/dbraw/zinc/60/35/27/368603527.db2.gz JIKALCLFUGQVMN-UHFFFAOYSA-N 1 0 285.343 3.388 40 0 CGABRO CC[C@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020040346 368795143 /nfs/dbraw/zinc/79/51/43/368795143.db2.gz NRJIKAHGLFNCAB-CABCVRRESA-N 1 0 288.435 3.447 40 0 CGABRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)c1C ZINC000026780525 368863610 /nfs/dbraw/zinc/86/36/10/368863610.db2.gz ZDVNGNUZRJZLAN-WMZOPIPTSA-N 1 0 299.414 3.394 40 0 CGABRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)c1C ZINC000026780521 368864013 /nfs/dbraw/zinc/86/40/13/368864013.db2.gz ZDVNGNUZRJZLAN-FUHWJXTLSA-N 1 0 299.414 3.394 40 0 CGABRO OC(c1ccccc1)(c1ccccc1)C12CC[NH+](CC1)CC2 ZINC000027910809 368876388 /nfs/dbraw/zinc/87/63/88/368876388.db2.gz VUUAKOZGGDHCRP-UHFFFAOYSA-N 1 0 293.410 3.408 40 0 CGABRO Cc1cccnc1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000027979585 368880124 /nfs/dbraw/zinc/88/01/24/368880124.db2.gz FXBJMUROPYUCOH-UHFFFAOYSA-N 1 0 299.374 3.221 40 0 CGABRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220994 368882191 /nfs/dbraw/zinc/88/21/91/368882191.db2.gz KAPXOOSXFBFSKB-CQSZACIVSA-N 1 0 294.826 3.078 40 0 CGABRO Brc1ccc(C[NH2+]CC2CCC2)cc1 ZINC000037180368 369074265 /nfs/dbraw/zinc/07/42/65/369074265.db2.gz XZAZTONXTHUIJH-UHFFFAOYSA-N 1 0 254.171 3.339 40 0 CGABRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccccc1Cl ZINC000047218993 369310279 /nfs/dbraw/zinc/31/02/79/369310279.db2.gz OFMONLHOXXZVPZ-UHFFFAOYSA-N 1 0 269.772 3.161 40 0 CGABRO CC(C)C[N@@H+]1CC[C@H](c2nnc(Cc3ccccc3)o2)C1 ZINC000049169837 369391424 /nfs/dbraw/zinc/39/14/24/369391424.db2.gz DQOWTXYADOSWGF-HNNXBMFYSA-N 1 0 285.391 3.106 40 0 biogenic,in-vitro CGABRO [NH3+][C@H](c1ccc(C(F)(F)F)cc1)c1cccnc1 ZINC000055205688 369513083 /nfs/dbraw/zinc/51/30/83/369513083.db2.gz LQWFYKWWZGFHBJ-GFCCVEGCSA-N 1 0 252.239 3.149 40 0 CGABRO [NH3+][C@H](c1ccncc1)c1ccc(C(F)(F)F)cc1 ZINC000055205715 369513372 /nfs/dbraw/zinc/51/33/72/369513372.db2.gz YNJOPXFMEFAMDQ-LBPRGKRZSA-N 1 0 252.239 3.149 40 0 CGABRO C[NH2+][C@H]1CCCC[C@@H]1N(C(=O)OC(C)(C)C)C(C)C ZINC000079437667 369969050 /nfs/dbraw/zinc/96/90/50/369969050.db2.gz YBXRHLAYHYKZHW-STQMWFEESA-N 1 0 270.417 3.163 40 0 CGABRO CC(C)([NH3+])c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1 ZINC000088131135 370029344 /nfs/dbraw/zinc/02/93/44/370029344.db2.gz AGORGFNWYAUYSU-UHFFFAOYSA-N 1 0 285.269 3.169 40 0 in-vitro CGABRO COc1ccc(Br)c(C[NH+]2CCCCC2)c1 ZINC000087797819 370029999 /nfs/dbraw/zinc/02/99/99/370029999.db2.gz FLMZDMMODQAARJ-UHFFFAOYSA-N 1 0 284.197 3.444 40 0 CGABRO COc1ccc2c3c1OC1=C[C@H](C)C=C4[C@@H](C2)[N@H+](C)CC[C@@]134 ZINC000096316436 370210402 /nfs/dbraw/zinc/21/04/02/370210402.db2.gz LUBWAENLSVGGLJ-FRGNPEFRSA-N 1 0 295.382 3.046 40 0 biogenic,in-vitro CGABRO CC(C)C[NH2+][C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC000238141006 189900173 /nfs/dbraw/zinc/90/01/73/189900173.db2.gz KVHINJUGONNQRB-JOCQHMNTSA-N 1 0 270.417 3.068 40 0 CGABRO CC(C)Cn1cnc2c1C1(CC[NH2+]CC1)Oc1ccccc1-2 ZINC000306130642 374128406 /nfs/dbraw/zinc/12/84/06/374128406.db2.gz JMDWZCQQGATACG-UHFFFAOYSA-N 1 0 297.402 3.177 40 0 CGABRO CCNc1cc(N2CCc3ccccc3C2)nc(C2CC2)[nH+]1 ZINC000329064268 374400239 /nfs/dbraw/zinc/40/02/39/374400239.db2.gz XIOPDHISFKUNMX-UHFFFAOYSA-N 1 0 294.402 3.349 40 0 CGABRO COc1ccc(Oc2cccc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000257197930 190010043 /nfs/dbraw/zinc/01/00/43/190010043.db2.gz NQZMOLHHIJCGQH-CYBMUJFWSA-N 1 0 284.359 3.350 40 0 CGABRO Cn1cccc1C[N@@H+]1CCC[C@H]1CCc1ccncc1 ZINC000257211002 190011953 /nfs/dbraw/zinc/01/19/53/190011953.db2.gz BXBOLGFLSQZGNJ-INIZCTEOSA-N 1 0 269.392 3.017 40 0 CGABRO Cc1c[nH]c(-c2cc([C@@H]3CCC[N@@H+](C(C)C)C3)nc(C)n2)n1 ZINC000257242903 190018343 /nfs/dbraw/zinc/01/83/43/190018343.db2.gz IEQVQIXAXBXMQB-CQSZACIVSA-N 1 0 299.422 3.071 40 0 CGABRO CC(C)n1nccc1C[N@@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257288062 190026913 /nfs/dbraw/zinc/02/69/13/190026913.db2.gz PSQFMJJLHSCDRD-QGZVFWFLSA-N 1 0 298.434 3.456 40 0 CGABRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccccc3Cl)C2)n1 ZINC000257339633 190037164 /nfs/dbraw/zinc/03/71/64/190037164.db2.gz ZCOKRDIHXDFCMY-AWEZNQCLSA-N 1 0 287.794 3.428 40 0 CGABRO FC(F)(F)c1cccc(N2CC[NH2+][C@@H]3CCC[C@H]32)c1 ZINC000218844862 376189245 /nfs/dbraw/zinc/18/92/45/376189245.db2.gz GKJNKERRBRVGGS-CHWSQXEVSA-N 1 0 270.298 3.036 40 0 CGABRO CCCC[NH2+]Cc1cccn1-c1cccc(OC)c1 ZINC000223688479 376258217 /nfs/dbraw/zinc/25/82/17/376258217.db2.gz YNERBGHPCKPVNB-UHFFFAOYSA-N 1 0 258.365 3.376 40 0 CGABRO CCOc1cc(C[NH2+]CCCOC)ccc1O[C@@H](C)CC ZINC000225157948 376296885 /nfs/dbraw/zinc/29/68/85/376296885.db2.gz ZBRXEGGPLBGJFL-AWEZNQCLSA-N 1 0 295.423 3.389 40 0 CGABRO CC[n+]1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000226774417 376372550 /nfs/dbraw/zinc/37/25/50/376372550.db2.gz OUODKWNJVVHDPL-UHFFFAOYSA-N 1 0 258.732 3.191 40 0 CGABRO C[C@@H]1C[C@H]([NH3+])c2ccccc2N1C(=O)OC(C)(C)C ZINC000242722804 376783366 /nfs/dbraw/zinc/78/33/66/376783366.db2.gz XVHAIQLVLSSAMN-PWSUYJOCSA-N 1 0 262.353 3.220 40 0 CGABRO CCCNc1ncc([C@H]([NH3+])c2ccccc2)cc1C ZINC000072222181 256706601 /nfs/dbraw/zinc/70/66/01/256706601.db2.gz RUFQLSGPNDRRSO-OAHLLOKOSA-N 1 0 255.365 3.260 40 0 CGABRO CN(c1ccccc1)c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072214180 256711478 /nfs/dbraw/zinc/71/14/78/256711478.db2.gz JTVGBWHQKAFJDQ-HNNXBMFYSA-N 1 0 253.349 3.274 40 0 CGABRO CCn1c(C)[n+](CC)c2ccc(C(F)(F)F)cc21 ZINC000001711786 391913690 /nfs/dbraw/zinc/91/36/90/391913690.db2.gz GAAKLFOJLIYUNR-UHFFFAOYSA-N 1 0 257.279 3.296 40 0 CGABRO CC[C@@H](OC[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000002694574 391914859 /nfs/dbraw/zinc/91/48/59/391914859.db2.gz DKNKMLJZGLSJIR-QZTJIDSGSA-N 1 0 291.435 3.247 40 0 CGABRO C[N@@H+]1CCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212065 392197612 /nfs/dbraw/zinc/19/76/12/392197612.db2.gz VGQAMJJNAUPNBL-INIZCTEOSA-N 1 0 268.360 3.427 40 0 CGABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C)CC ZINC000072212781 392198818 /nfs/dbraw/zinc/19/88/18/392198818.db2.gz OBVGXDJLIUFHJE-OAHLLOKOSA-N 1 0 261.413 3.475 40 0 CGABRO CCN(CC)c1ncccc1[C@H]1CCCC[N@@H+]1CC ZINC000072212912 392199088 /nfs/dbraw/zinc/19/90/88/392199088.db2.gz ICHUSEGNFSNMCK-OAHLLOKOSA-N 1 0 261.413 3.475 40 0 CGABRO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072214330 392199255 /nfs/dbraw/zinc/19/92/55/392199255.db2.gz ZDNLVWBDLVKZEU-LBPRGKRZSA-N 1 0 277.368 3.243 40 0 CGABRO Cc1cc(Br)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072222962 392203228 /nfs/dbraw/zinc/20/32/28/392203228.db2.gz UCCPLEFVRPMCGQ-CYBMUJFWSA-N 1 0 277.165 3.201 40 0 CGABRO Cc1nc(NC2CC2)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224863 392204819 /nfs/dbraw/zinc/20/48/19/392204819.db2.gz QAMFOFOOKPNBKS-INIZCTEOSA-N 1 0 253.349 3.012 40 0 CGABRO Cc1nc(N(C)Cc2ccccc2)ccc1[C@@H](C)[NH3+] ZINC000072224443 392204845 /nfs/dbraw/zinc/20/48/45/392204845.db2.gz UNIMXBPZUCKKAI-GFCCVEGCSA-N 1 0 255.365 3.046 40 0 CGABRO C[C@@H]([NH3+])c1cccc2c1ccn2C(=O)OC(C)(C)C ZINC000096509792 392257345 /nfs/dbraw/zinc/25/73/45/392257345.db2.gz WJJHTPBZQFPFOZ-SNVBAGLBSA-N 1 0 260.337 3.444 40 0 CGABRO CCOC(=O)C[C@H]([NH2+]C1CC1)c1cccc(Cl)c1 ZINC000072210284 397640492 /nfs/dbraw/zinc/64/04/92/397640492.db2.gz FKQVYPZPQYRISB-ZDUSSCGKSA-N 1 0 267.756 3.086 40 0 CGABRO COCCC[NH2+]Cc1cccn1[C@H](C)c1ccccc1 ZINC000223691668 292363278 /nfs/dbraw/zinc/36/32/78/292363278.db2.gz KBZFSTRWQYPCNL-OAHLLOKOSA-N 1 0 272.392 3.224 40 0 CGABRO O[C@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1cccs1 ZINC000004934819 170042306 /nfs/dbraw/zinc/04/23/06/170042306.db2.gz NTSRPUIASHVFML-MELADBBJSA-N 1 0 265.422 3.294 40 0 CGABRO C[NH2+]CC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000005043960 170060463 /nfs/dbraw/zinc/06/04/63/170060463.db2.gz ZJZVRPGENAAQNC-MYMYQCDVSA-N 1 0 283.415 3.313 40 0 CGABRO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000005907670 170153663 /nfs/dbraw/zinc/15/36/63/170153663.db2.gz TYYFMMLMFLNHTH-KRWDZBQOSA-N 1 0 285.387 3.126 40 0 CGABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccco1 ZINC000005997400 170166606 /nfs/dbraw/zinc/16/66/06/170166606.db2.gz HYVNAGAQSADYDE-UHFFFAOYSA-N 1 0 270.332 3.128 40 0 CGABRO C[NH+](C)CCC(=O)C1CCC(c2ccccc2)CC1 ZINC000006711845 170231632 /nfs/dbraw/zinc/23/16/32/170231632.db2.gz ONCWBVIVGAZCNK-UHFFFAOYSA-N 1 0 259.393 3.481 40 0 CGABRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccccc1C=O ZINC000008731551 170351291 /nfs/dbraw/zinc/35/12/91/170351291.db2.gz ZBTBOTFVUDMAOT-CQSZACIVSA-N 1 0 261.365 3.142 40 0 CGABRO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019359693 170776674 /nfs/dbraw/zinc/77/66/74/170776674.db2.gz VUWCGXZFELHEBO-QYZOEREBSA-N 1 0 282.431 3.016 40 0 CGABRO COCCC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000020142877 171028650 /nfs/dbraw/zinc/02/86/50/171028650.db2.gz INLMVGQFPJLFAP-AWEZNQCLSA-N 1 0 265.397 3.409 40 0 CGABRO Clc1ccc(Cl)c(CNC[C@H]2CCCC[NH2+]2)c1 ZINC000072203641 176341495 /nfs/dbraw/zinc/34/14/95/176341495.db2.gz MEFLJFKORUPFGJ-GFCCVEGCSA-N 1 0 273.207 3.225 40 0 CGABRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]([NH3+])c2ccccc2)C1 ZINC000072208760 176342783 /nfs/dbraw/zinc/34/27/83/176342783.db2.gz WZTOZCUIWGDBRT-CABCVRRESA-N 1 0 290.407 3.334 40 0 CGABRO Cc1nccc(C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000072363738 176378547 /nfs/dbraw/zinc/37/85/47/176378547.db2.gz PGKVHBVQPGPBIZ-UHFFFAOYSA-N 1 0 281.403 3.207 40 0 CGABRO C[N@@H+]1CCC[C@@H](c2cnc(-c3ccc(F)c(F)c3)cn2)C1 ZINC000072365103 176380218 /nfs/dbraw/zinc/38/02/18/176380218.db2.gz XBXBGNJOTVOKFX-GFCCVEGCSA-N 1 0 289.329 3.231 40 0 CGABRO c1c[nH]c(C[N@H+]2CC[C@@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000072368026 176382384 /nfs/dbraw/zinc/38/23/84/176382384.db2.gz IAQSTCNGPXVGKO-HNNXBMFYSA-N 1 0 292.386 3.023 40 0 CGABRO c1c[nH]c(C[N@H+]2CC[C@@H](Cc3cnc4ccccc4c3)C2)n1 ZINC000072368024 176382873 /nfs/dbraw/zinc/38/28/73/176382873.db2.gz WTUODQKXDKFKBR-AWEZNQCLSA-N 1 0 292.386 3.023 40 0 CGABRO Fc1ccc(-c2cc(C3CC[NH2+]CC3)ccn2)cc1 ZINC000072384536 176388941 /nfs/dbraw/zinc/38/89/41/176388941.db2.gz NOTYYVZTTOLNHD-UHFFFAOYSA-N 1 0 256.324 3.355 40 0 CGABRO CCn1c2ccccc2nc1C[N@@H+]1CCCC[C@H]1C ZINC000076555444 177037723 /nfs/dbraw/zinc/03/77/23/177037723.db2.gz PCZUWHQOFIAKPF-CYBMUJFWSA-N 1 0 257.381 3.431 40 0 CGABRO CC(C)Nc1ncc(C[NH2+][C@H](C)c2ccccc2)cn1 ZINC000062717601 262302488 /nfs/dbraw/zinc/30/24/88/262302488.db2.gz AXNWLNKHJMLRRO-CYBMUJFWSA-N 1 0 270.380 3.148 40 0 CGABRO [NH2+]=C1NC[C@H]2c3ccccc3Cc3cc(Cl)ccc3N12 ZINC000038600353 274942998 /nfs/dbraw/zinc/94/29/98/274942998.db2.gz OHOWXEDRJQSBEY-HNNXBMFYSA-N 1 0 283.762 3.120 40 0 in-vitro CGABRO C[NH2+][C@H](CN1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000022029093 277041620 /nfs/dbraw/zinc/04/16/20/277041620.db2.gz LRRGBERSAASSOC-CYBMUJFWSA-N 1 0 273.207 3.350 40 0 CGABRO CCCC[NH+](CCCC)[C@@H](C(N)=O)c1ccc(OC)cc1 ZINC000002036734 278692971 /nfs/dbraw/zinc/69/29/71/278692971.db2.gz WUSAVCGXMSWMQM-MRXNPFEDSA-N 1 0 292.423 3.124 40 0 in-man CGABRO C[C@H]1[C@H](O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000004011405 280120267 /nfs/dbraw/zinc/12/02/67/280120267.db2.gz RUYRAUWKVSWJFK-LIRZEXBASA-N 1 0 267.372 3.459 40 0 CGABRO Clc1ccc([C@@]2(C3CC[NH2+]CC3)CCCO2)cc1 ZINC000001567986 302886821 /nfs/dbraw/zinc/88/68/21/302886821.db2.gz ZOPKGHOTDFOYNE-OAHLLOKOSA-N 1 0 265.784 3.345 40 0 CGABRO FC(F)(F)c1cccc(N2CC[NH2+][C@@H]3CCCC[C@H]32)c1 ZINC000218833178 333136809 /nfs/dbraw/zinc/13/68/09/333136809.db2.gz MOJDEZKTQJCUMI-ZIAGYGMSSA-N 1 0 284.325 3.426 40 0 CGABRO FC(F)(F)c1cccc(N2CC[NH2+][C@H]3CCCC[C@H]32)c1 ZINC000218833252 333136853 /nfs/dbraw/zinc/13/68/53/333136853.db2.gz MOJDEZKTQJCUMI-UONOGXRCSA-N 1 0 284.325 3.426 40 0 CGABRO C1CCC(O[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@@H]3CCC[C@@H]32)C1 ZINC000225718103 333182109 /nfs/dbraw/zinc/18/21/09/333182109.db2.gz RUBZSLWQDHSQAX-VSZNYVQBSA-N 1 0 292.467 3.083 40 0 CGABRO C[C@H]1CCC[N@H+](CCCCOc2ccc(C=O)cc2)C1 ZINC000217793612 230396724 /nfs/dbraw/zinc/39/67/24/230396724.db2.gz UDMYHMXJRJNNEU-HNNXBMFYSA-N 1 0 275.392 3.390 40 0 CGABRO CN(C)Cc1ccnc([C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000257309809 282150383 /nfs/dbraw/zinc/15/03/83/282150383.db2.gz UCLOZOKLYSWYAY-MRXNPFEDSA-N 1 0 288.439 3.008 40 0 CGABRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000128157190 187354878 /nfs/dbraw/zinc/35/48/78/187354878.db2.gz JCSFYSCQPWVAPP-KGLIPLIRSA-N 1 0 263.381 3.303 40 0 CGABRO C[NH+](C)C[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000217808926 346292022 /nfs/dbraw/zinc/29/20/22/346292022.db2.gz WYPJAPCMQZBXCK-CMPLNLGQSA-N 1 0 254.171 3.114 40 0 CGABRO Cc1ccccc1C(=O)N1CC[C@]2(CCC[N@@H+]2CC2CC2)C1 ZINC000585099638 346724202 /nfs/dbraw/zinc/72/42/02/346724202.db2.gz UEZCHOABZBKEHR-LJQANCHMSA-N 1 0 298.430 3.086 40 0 CGABRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585177453 346725712 /nfs/dbraw/zinc/72/57/12/346725712.db2.gz PVJOJDVNAGPKHI-HNNXBMFYSA-N 1 0 280.375 3.189 40 0 CGABRO Clc1ccc2ncc(-c3cccc([C@H]4CCC[NH2+]4)n3)n2c1 ZINC000585262882 346726157 /nfs/dbraw/zinc/72/61/57/346726157.db2.gz BVYPFXKYOYMTTM-GFCCVEGCSA-N 1 0 298.777 3.474 40 0 CGABRO CC(C)(C)OC(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC000091297391 180125329 /nfs/dbraw/zinc/12/53/29/180125329.db2.gz WSKLLLAOAMNOTN-INIZCTEOSA-N 1 0 282.428 3.167 40 0 CGABRO [NH3+][C@H]1CCCC[C@@H]1Nc1cccc(Br)c1 ZINC000218859741 376191085 /nfs/dbraw/zinc/19/10/85/376191085.db2.gz FPNKNFVUBPIETF-RYUDHWBXSA-N 1 0 269.186 3.131 40 0 CGABRO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000002042837 368444355 /nfs/dbraw/zinc/44/43/55/368444355.db2.gz QVPCHUSMYXRTHF-QGZVFWFLSA-N 1 0 281.355 3.118 40 0 CGABRO C[NH+](C)CC[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000001675298 368430344 /nfs/dbraw/zinc/43/03/44/368430344.db2.gz DWURDFRXEBBVGU-SFHVURJKSA-N 1 0 269.388 3.069 40 0 CGABRO [NH3+]C1C[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1 ZINC000001719796 368435867 /nfs/dbraw/zinc/43/58/67/368435867.db2.gz QJXPNWHACFMWAI-IAGOWNOFSA-N 1 0 252.361 3.180 40 0 CGABRO CCCC[C@@H](CC)[C@H]1OC[C@H](C[NH+]2CCCC2)O1 ZINC000004124583 368532646 /nfs/dbraw/zinc/53/26/46/368532646.db2.gz YGCPCVLTZNXDDJ-ILXRZTDVSA-N 1 0 255.402 3.040 40 0 CGABRO CCOc1ccc(C[NH2+]CCc2ccccc2)cc1OC ZINC000016692845 368719614 /nfs/dbraw/zinc/71/96/14/368719614.db2.gz UWMCBEDYGGBAQB-UHFFFAOYSA-N 1 0 285.387 3.426 40 0 CGABRO Cc1[nH+]c([C@H]2CCN(C(=O)CC(C)C)C2)c2ccccn12 ZINC000019240689 368745395 /nfs/dbraw/zinc/74/53/95/368745395.db2.gz PDIAKVPJCQYQKD-AWEZNQCLSA-N 1 0 285.391 3.005 40 0 CGABRO c1c2cccnc2[nH]c1C1CC[NH+](Cc2ccncc2)CC1 ZINC000019346949 368748669 /nfs/dbraw/zinc/74/86/69/368748669.db2.gz YJLBPMSLGKIBRT-UHFFFAOYSA-N 1 0 292.386 3.338 40 0 CGABRO CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1c(C)ccc(O)c1C ZINC000030731123 368906048 /nfs/dbraw/zinc/90/60/48/368906048.db2.gz IXOVDWXTIIYVOJ-AWEZNQCLSA-N 1 0 290.407 3.212 40 0 in-vitro CGABRO CCC[NH2+]Cc1ccc(OC(C)C)c(OCC)c1 ZINC000034815826 368979390 /nfs/dbraw/zinc/97/93/90/368979390.db2.gz BWYHHBWEYHUVMW-UHFFFAOYSA-N 1 0 251.370 3.372 40 0 CGABRO CN(Cc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000036300724 369016021 /nfs/dbraw/zinc/01/60/21/369016021.db2.gz WBYYOEVHJGSJTB-UHFFFAOYSA-N 1 0 273.207 3.177 40 0 CGABRO O[C@H]1c2ccccc2O[C@@]2([NH+]3CCCC3)CCCC[C@@H]12 ZINC000063907053 369650764 /nfs/dbraw/zinc/65/07/64/369650764.db2.gz JLHMLQKTHCZJSS-XIRDDKMYSA-N 1 0 273.376 3.095 40 0 CGABRO Cc1cc([C@@H]2CCC[N@H+]2CC(C)C)cnc1N(C)C ZINC000072218623 369815779 /nfs/dbraw/zinc/81/57/79/369815779.db2.gz ICCYBXUDVQPWME-HNNXBMFYSA-N 1 0 261.413 3.249 40 0 CGABRO COC[C@@H]1COCCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096209040 370209319 /nfs/dbraw/zinc/20/93/19/370209319.db2.gz LZPGLHPLSHHVDT-OAHLLOKOSA-N 1 0 295.448 3.013 40 0 CGABRO CCCn1nc(C)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000256049493 190002254 /nfs/dbraw/zinc/00/22/54/190002254.db2.gz AEJFNPJUIZKGAQ-UHFFFAOYSA-N 1 0 261.344 3.030 40 0 CGABRO CCCCCC[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000256053502 190004676 /nfs/dbraw/zinc/00/46/76/190004676.db2.gz RRWOYANOEGLXRG-UHFFFAOYSA-N 1 0 263.307 3.109 40 0 CGABRO C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257213048 190012851 /nfs/dbraw/zinc/01/28/51/190012851.db2.gz CFYZFGUYROSFBV-UHFFFAOYSA-N 1 0 268.364 3.029 40 0 CGABRO Cc1ccc(C[NH+]2CCC(C)(c3nccs3)CC2)cn1 ZINC000257241802 190018501 /nfs/dbraw/zinc/01/85/01/190018501.db2.gz HZQFKZTZLOCZNP-UHFFFAOYSA-N 1 0 287.432 3.400 40 0 CGABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nccc(C)n3)C2)s1 ZINC000257241834 190018602 /nfs/dbraw/zinc/01/86/02/190018602.db2.gz HZUHHDVVAYMYNM-ZDUSSCGKSA-N 1 0 273.405 3.144 40 0 CGABRO CNc1cc([C@@H]2CCC[N@@H+]2Cc2scnc2C)ccn1 ZINC000257290268 190027610 /nfs/dbraw/zinc/02/76/10/190027610.db2.gz QCFDTTVSIFLPGA-ZDUSSCGKSA-N 1 0 288.420 3.225 40 0 CGABRO CC1(c2ncc(Cc3ccccc3F)o2)CC[NH2+]CC1 ZINC000257305226 190031448 /nfs/dbraw/zinc/03/14/48/190031448.db2.gz SOYYRUASLQQAIO-UHFFFAOYSA-N 1 0 274.339 3.046 40 0 CGABRO Cc1c[nH]nc1[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000257293583 190028571 /nfs/dbraw/zinc/02/85/71/190028571.db2.gz QQFNGKRKFMIBAX-HNNXBMFYSA-N 1 0 287.382 3.279 40 0 CGABRO C[N@@H+]1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257319277 190033320 /nfs/dbraw/zinc/03/33/20/190033320.db2.gz VRQOZFKITYQNOR-ZDUSSCGKSA-N 1 0 274.339 3.214 40 0 CGABRO c1csc(C[N@H+]2CCC[C@H]2CCc2ccncc2)n1 ZINC000257319754 190033438 /nfs/dbraw/zinc/03/34/38/190033438.db2.gz VTYKLTHCJZHTEY-AWEZNQCLSA-N 1 0 273.405 3.135 40 0 CGABRO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000257328695 190035111 /nfs/dbraw/zinc/03/51/11/190035111.db2.gz XGSQBABSSZEUOF-ZDUSSCGKSA-N 1 0 275.421 3.170 40 0 CGABRO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000257337146 190036449 /nfs/dbraw/zinc/03/64/49/190036449.db2.gz YROUITNGNHPCEV-LBPRGKRZSA-N 1 0 261.394 3.159 40 0 CGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)c[nH]3)C2)cc1 ZINC000257344964 190037793 /nfs/dbraw/zinc/03/77/93/190037793.db2.gz ZZKAEHWQAFGZPN-OAHLLOKOSA-N 1 0 285.391 3.106 40 0 CGABRO CC[NH2+]Cc1c2cc(OC(C)C)ccc2n(C)c1C ZINC000223762837 376261981 /nfs/dbraw/zinc/26/19/81/376261981.db2.gz JDQNVTFCRJLBAK-UHFFFAOYSA-N 1 0 260.381 3.383 40 0 CGABRO COc1cc(C[N@@H+]2CCCC[C@@H]2C(C)C)ccc1O ZINC000180083170 542205588 /nfs/dbraw/zinc/20/55/88/542205588.db2.gz ABRWKMBSMOCXRB-CQSZACIVSA-N 1 0 263.381 3.411 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H]1c1cccc(-c2ccnn2C)n1 ZINC000257297093 377795241 /nfs/dbraw/zinc/79/52/41/377795241.db2.gz RFUYHGZADHZDKU-INIZCTEOSA-N 1 0 270.380 3.027 40 0 CGABRO O=C1Nc2ccccc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000096052474 284933174 /nfs/dbraw/zinc/93/31/74/284933174.db2.gz SMHJDMCLBPGNJB-UHFFFAOYSA-N 1 0 298.411 3.234 40 0 CGABRO CCCNc1cc(C)c([C@H]([NH3+])c2ccccc2)cn1 ZINC000072223217 256704910 /nfs/dbraw/zinc/70/49/10/256704910.db2.gz SBFZCJINXCLZQL-MRXNPFEDSA-N 1 0 255.365 3.260 40 0 CGABRO Oc1ccc(Cl)c2ccc(CC[NH+]3CCCC3)nc12 ZINC000059474701 392121025 /nfs/dbraw/zinc/12/10/25/392121025.db2.gz NAHQGQXNXXTVCE-UHFFFAOYSA-N 1 0 276.767 3.232 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1Br ZINC000072211611 392197257 /nfs/dbraw/zinc/19/72/57/392197257.db2.gz IKUUAUAOTITBPI-NSHDSACASA-N 1 0 269.186 3.389 40 0 CGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)CC)nc1 ZINC000072212734 392198781 /nfs/dbraw/zinc/19/87/81/392198781.db2.gz DPIXXTIBCUTEJG-OAHLLOKOSA-N 1 0 261.413 3.475 40 0 CGABRO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072214423 392199247 /nfs/dbraw/zinc/19/92/47/392199247.db2.gz MYMSUWGPGPWQLF-ZDUSSCGKSA-N 1 0 291.395 3.220 40 0 CGABRO Cc1cc(NC(C)C)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223013 392203207 /nfs/dbraw/zinc/20/32/07/392203207.db2.gz LRDUUQMYSPWMKG-MRXNPFEDSA-N 1 0 255.365 3.258 40 0 CGABRO CC[C@H](c1ccccc1)N(C(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000079418747 392220745 /nfs/dbraw/zinc/22/07/45/392220745.db2.gz QQCFCPRAFRZOIS-CVEARBPZSA-N 1 0 276.424 3.358 40 0 CGABRO COc1cc(C[NH2+]C[C@H]2CCCO2)cc2ccccc21 ZINC000096527846 392259077 /nfs/dbraw/zinc/25/90/77/392259077.db2.gz OQZCFQXRQRTQFW-OAHLLOKOSA-N 1 0 271.360 3.117 40 0 CGABRO c1ccc([C@@H]2[NH2+]CC3(CCOCC3)c3ccccc32)cc1 ZINC000019789200 285490838 /nfs/dbraw/zinc/49/08/38/285490838.db2.gz ICFBIQTYGQSYPR-SFHVURJKSA-N 1 0 279.383 3.427 40 0 CGABRO Nc1ncc(C[N@@H+]2CCCC23CCCCC3)s1 ZINC000261712791 393143404 /nfs/dbraw/zinc/14/34/04/393143404.db2.gz DUEGBZMDNHAONK-UHFFFAOYSA-N 1 0 251.399 3.024 40 0 CGABRO CC(C)(CO)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000005950850 170160735 /nfs/dbraw/zinc/16/07/35/170160735.db2.gz KWCHJFLEYABKMF-QGZVFWFLSA-N 1 0 269.388 3.331 40 0 CGABRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CCCCC1 ZINC000006001516 170167114 /nfs/dbraw/zinc/16/71/14/170167114.db2.gz AUULAHNRCXSKGA-OAHLLOKOSA-N 1 0 297.826 3.344 40 0 CGABRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000006008940 170167695 /nfs/dbraw/zinc/16/76/95/170167695.db2.gz ZEOWJWWXFFKASZ-KRWDZBQOSA-N 1 0 291.435 3.308 40 0 CGABRO Cc1cccc(NC(=S)NCCC[NH+]2CCCCC2)c1 ZINC000007369656 170279653 /nfs/dbraw/zinc/27/96/53/170279653.db2.gz CRBSPXPPADUNRL-UHFFFAOYSA-N 1 0 291.464 3.157 40 0 CGABRO COc1cccc(C=O)c1OCCC[NH+]1CCC(C)CC1 ZINC000008731569 170351024 /nfs/dbraw/zinc/35/10/24/170351024.db2.gz PFNMBTYMBWQIIU-UHFFFAOYSA-N 1 0 291.391 3.009 40 0 CGABRO CCCOc1ccc(C[NH2+]C[C@H]2CCCO2)cc1OCC ZINC000020933255 171281163 /nfs/dbraw/zinc/28/11/63/171281163.db2.gz KFNHNZIUSYNJGJ-OAHLLOKOSA-N 1 0 293.407 3.143 40 0 CGABRO Cc1cccc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000022580380 171392287 /nfs/dbraw/zinc/39/22/87/171392287.db2.gz IESNEIBAEAQNTA-QXAKKESOSA-N 1 0 284.447 3.301 40 0 CGABRO CC[C@H](C)[C@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441210 173211127 /nfs/dbraw/zinc/21/11/27/173211127.db2.gz PURFUQMZTZSMDZ-CPCISQLKSA-N 1 0 282.185 3.371 40 0 CGABRO [NH3+]C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000038827618 174156881 /nfs/dbraw/zinc/15/68/81/174156881.db2.gz PAUUGIUYNYWNGL-LBPRGKRZSA-N 1 0 259.180 3.089 40 0 CGABRO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OC(C)C ZINC000040728686 174388019 /nfs/dbraw/zinc/38/80/19/174388019.db2.gz ULGPCQQZYRLKBA-HNNXBMFYSA-N 1 0 293.407 3.141 40 0 CGABRO CN(Cc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000072203652 176341657 /nfs/dbraw/zinc/34/16/57/176341657.db2.gz MBKTWOKPWVFUBA-GFCCVEGCSA-N 1 0 273.207 3.177 40 0 CGABRO CN(Cc1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000072203720 176341927 /nfs/dbraw/zinc/34/19/27/176341927.db2.gz YFLKGKMZONNVGG-UHFFFAOYSA-N 1 0 273.207 3.177 40 0 CGABRO Cc1ccccc1NC(=O)c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072365592 176380751 /nfs/dbraw/zinc/38/07/51/176380751.db2.gz SZCKXMJWGCFVCD-AWEZNQCLSA-N 1 0 295.386 3.109 40 0 CGABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H](c2cnccn2)C1 ZINC000072373120 176384738 /nfs/dbraw/zinc/38/47/38/176384738.db2.gz KQWIQVJTWDYNQC-HNNXBMFYSA-N 1 0 297.402 3.173 40 0 CGABRO CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079437228 177490515 /nfs/dbraw/zinc/49/05/15/177490515.db2.gz APZLXNYQGBSLBF-INIZCTEOSA-N 1 0 290.407 3.176 40 0 CGABRO CCN(C)[C@@H]1C[N@H+](CC2CC2)C2(C1)CCCCC2 ZINC000257242210 276309252 /nfs/dbraw/zinc/30/92/52/276309252.db2.gz IBNMUPSKSRMMHL-HNNXBMFYSA-N 1 0 250.430 3.125 40 0 CGABRO C[NH+](C)[C@H]1CCC2=N[C@@H]3C=CC(Br)=CC3=C2C1 ZINC000329060638 276867567 /nfs/dbraw/zinc/86/75/67/276867567.db2.gz WMYJERFRHFHULG-GXFFZTMASA-N 1 0 293.208 3.069 40 0 CGABRO CC(=O)N(CCC[NH+](C)C)C[C@@H]1[C@H](C)CC(C)=C[C@@H]1C ZINC000004024745 277970760 /nfs/dbraw/zinc/97/07/60/277970760.db2.gz ZLYRCIIIWXAQLB-UXLLHSPISA-N 1 0 280.456 3.025 40 0 CGABRO CC[NH+](CC)CC(O)(c1ccccc1)c1ccccc1 ZINC000001699478 279091510 /nfs/dbraw/zinc/09/15/10/279091510.db2.gz AOOCKJGZOXDEDT-UHFFFAOYSA-N 1 0 269.388 3.264 40 0 CGABRO FC(F)(F)c1ccc(N2CC[NH2+][C@H]3CCCC[C@H]32)cc1 ZINC000218836658 333136994 /nfs/dbraw/zinc/13/69/94/333136994.db2.gz XVURUWLGVOZVRS-UONOGXRCSA-N 1 0 284.325 3.426 40 0 CGABRO COc1cc(C=O)ccc1OCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000217789239 533720701 /nfs/dbraw/zinc/72/07/01/533720701.db2.gz BGJXXLPIECDXQG-OKILXGFUSA-N 1 0 291.391 3.149 40 0 CGABRO CC(C)(C)OC(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC000255189603 567938323 /nfs/dbraw/zinc/93/83/23/567938323.db2.gz QZUDMHMDIDPVTN-UHFFFAOYSA-N 1 0 282.428 3.071 40 0 CGABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccsc1)CC2 ZINC000096047492 185072344 /nfs/dbraw/zinc/07/23/44/185072344.db2.gz HHVWFDKPJWHANS-MRXNPFEDSA-N 1 0 292.448 3.115 40 0 CGABRO c1cc(C[NH+]2CCC3(C[C@@H](c4cccnc4)CO3)CC2)co1 ZINC000096047770 185073678 /nfs/dbraw/zinc/07/36/78/185073678.db2.gz LJYOWIOQELNKKT-QGZVFWFLSA-N 1 0 298.386 3.213 40 0 CGABRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000085391311 179048421 /nfs/dbraw/zinc/04/84/21/179048421.db2.gz PEQRQJNKQFTFMG-ONGXEEELSA-N 1 0 254.171 3.195 40 0 CGABRO c1ccc2[nH]c(C3CC[NH+](Cc4ccncc4)CC3)nc2c1 ZINC000091361993 180141717 /nfs/dbraw/zinc/14/17/17/180141717.db2.gz MZGAGWBCDSKZNZ-UHFFFAOYSA-N 1 0 292.386 3.338 40 0 CGABRO CC1([NH2+][C@@H](Cc2ccccc2)c2ccccc2)COCOC1 ZINC000001667051 368427877 /nfs/dbraw/zinc/42/78/77/368427877.db2.gz KRXFORPABBFXIK-SFHVURJKSA-N 1 0 297.398 3.323 40 0 CGABRO O=C(CC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000001871373 368440681 /nfs/dbraw/zinc/44/06/81/368440681.db2.gz RZSASMZLDBUTHG-UHFFFAOYSA-N 1 0 282.181 3.118 40 0 CGABRO Cc1ccc2oc(C(=O)O[C@@H](C)[C@H](C)C[NH+](C)C)cc2c1 ZINC000004610643 368553575 /nfs/dbraw/zinc/55/35/75/368553575.db2.gz QXYDVBRXVKOZGO-OLZOCXBDSA-N 1 0 289.375 3.484 40 0 CGABRO CC[C@@H]1C[NH2+]Cc2cc3c(C)ccc(C)c3nc2O1 ZINC000019500971 368755771 /nfs/dbraw/zinc/75/57/71/368755771.db2.gz BFHWERLRXTWOMP-CYBMUJFWSA-N 1 0 256.349 3.112 40 0 CGABRO CCc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)s1 ZINC000019522932 368756881 /nfs/dbraw/zinc/75/68/81/368756881.db2.gz BKTBBAFBSNTELW-ZDUSSCGKSA-N 1 0 294.464 3.305 40 0 CGABRO C[C@H]([NH3+])c1ccc2ncc(Br)cc2c1 ZINC000032914919 368952393 /nfs/dbraw/zinc/95/23/93/368952393.db2.gz RBSRHKUMFVBXDC-ZETCQYMHSA-N 1 0 251.127 3.017 40 0 CGABRO CC[C@@H](C)n1c2ccc(Cl)cc2nc1CC[NH3+] ZINC000040408282 369154500 /nfs/dbraw/zinc/15/45/00/369154500.db2.gz PVOGRZVLMDRLTR-SECBINFHSA-N 1 0 251.761 3.162 40 0 CGABRO Cc1ccc(C)c(C(=O)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000046882600 369299221 /nfs/dbraw/zinc/29/92/21/369299221.db2.gz RKKIJEIYFVRLTL-GASCZTMLSA-N 1 0 288.435 3.011 40 0 CGABRO c1coc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)c1 ZINC000049169320 369390676 /nfs/dbraw/zinc/39/06/76/369390676.db2.gz JKEAVUUMSQZDCA-AWEZNQCLSA-N 1 0 295.342 3.319 40 0 biogenic,in-vitro CGABRO [NH3+]C[C@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000072203772 369815655 /nfs/dbraw/zinc/81/56/55/369815655.db2.gz SWDGRYNBYMKNDM-GFCCVEGCSA-N 1 0 273.207 3.307 40 0 CGABRO CCc1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)o1 ZINC000096255075 370208456 /nfs/dbraw/zinc/20/84/56/370208456.db2.gz CHVHOFVIVMGURM-UHFFFAOYSA-N 1 0 297.402 3.110 40 0 CGABRO CC[C@H](C)n1nccc1C[NH2+]CCc1ccccc1 ZINC000256052062 190003526 /nfs/dbraw/zinc/00/35/26/190003526.db2.gz LTEYPURNYYQATD-AWEZNQCLSA-N 1 0 257.381 3.186 40 0 CGABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000257202135 190010690 /nfs/dbraw/zinc/01/06/90/190010690.db2.gz AKQDPKYZXBLFPV-ZDUSSCGKSA-N 1 0 273.405 3.226 40 0 CGABRO Cc1cc(-c2cc[nH]n2)nc([C@H]2CCCC[N@H+]2C(C)C)n1 ZINC000257244335 190019511 /nfs/dbraw/zinc/01/95/11/190019511.db2.gz IKVNNVIAYXPPGN-OAHLLOKOSA-N 1 0 285.395 3.111 40 0 CGABRO Cc1n[nH]cc1C[N@@H+]1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257264751 190023218 /nfs/dbraw/zinc/02/32/18/190023218.db2.gz LVWYWQQVXBEZLY-HWWDLCQESA-N 1 0 297.402 3.008 40 0 CGABRO c1cnc2ccc(C[N@@H+]3CCC[C@@H]3c3ccncn3)cc2c1 ZINC000257277929 190025570 /nfs/dbraw/zinc/02/55/70/190025570.db2.gz OABMDZBNQWBWFK-GOSISDBHSA-N 1 0 290.370 3.362 40 0 CGABRO c1cc([C@@H]2CCC[NH2+]C2)cc(NC2CCCCC2)n1 ZINC000257313679 190031675 /nfs/dbraw/zinc/03/16/75/190031675.db2.gz UTPKMLVDJUKYGZ-CQSZACIVSA-N 1 0 259.397 3.293 40 0 CGABRO CNc1cc([C@H]2CCC[N@@H+]2Cc2scnc2C)ccn1 ZINC000257290267 190027773 /nfs/dbraw/zinc/02/77/73/190027773.db2.gz QCFDTTVSIFLPGA-CYBMUJFWSA-N 1 0 288.420 3.225 40 0 CGABRO CC(C)n1nccc1-c1ncccc1CC1CC[NH2+]CC1 ZINC000257294876 190028158 /nfs/dbraw/zinc/02/81/58/190028158.db2.gz QWBIQIKFDDWGBH-UHFFFAOYSA-N 1 0 284.407 3.068 40 0 CGABRO Fc1ccccc1Cc1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000257332638 190035856 /nfs/dbraw/zinc/03/58/56/190035856.db2.gz XYCJSQCSVKCXOH-HNNXBMFYSA-N 1 0 256.324 3.236 40 0 CGABRO COc1ccccc1-n1cccc1C[NH2+]CC(C)C ZINC000223687969 376259239 /nfs/dbraw/zinc/25/92/39/376259239.db2.gz VRMWNDMDBYHZNB-UHFFFAOYSA-N 1 0 258.365 3.232 40 0 CGABRO COCC[NH2+]Cc1cccn1-c1ccc(Cl)cc1C ZINC000223686374 376259296 /nfs/dbraw/zinc/25/92/96/376259296.db2.gz UABYBLHNNRRWPH-UHFFFAOYSA-N 1 0 278.783 3.175 40 0 CGABRO CC[C@H](C)Oc1ccc2c(c1)c(C[NH2+]C)c(C)n2C ZINC000223760372 376261995 /nfs/dbraw/zinc/26/19/95/376261995.db2.gz HFZPQPXCISHFAC-NSHDSACASA-N 1 0 260.381 3.383 40 0 CGABRO CCCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000225167145 376296318 /nfs/dbraw/zinc/29/63/18/376296318.db2.gz WXAFJFPTBGVTKM-CJNGLKHVSA-N 1 0 263.381 3.305 40 0 CGABRO COc1ccc2c(c1)[nH]c1c2CC[NH2+][C@H]1CC(C)C ZINC000095080097 184937363 /nfs/dbraw/zinc/93/73/63/184937363.db2.gz JOHCBNNWOXVDNR-HNNXBMFYSA-N 1 0 258.365 3.409 40 0 CGABRO C[NH+](C)CCN(Cc1cccs1)Cc1ccccc1 ZINC000023247833 391946562 /nfs/dbraw/zinc/94/65/62/391946562.db2.gz CZQHZFLOOZFESS-UHFFFAOYSA-N 1 0 274.433 3.312 40 0 CGABRO [NH3+]C1(CN2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000036810201 391976787 /nfs/dbraw/zinc/97/67/87/391976787.db2.gz ZOFPTYINVTXSPG-LSDHHAIUSA-N 1 0 250.430 3.160 40 0 CGABRO Cc1cc([C@H]2CCCC[N@H+]2C(C)C)cnc1N(C)C ZINC000072218641 392200338 /nfs/dbraw/zinc/20/03/38/392200338.db2.gz WYHKEXVPBHEUJL-OAHLLOKOSA-N 1 0 261.413 3.391 40 0 CGABRO Cc1cc([C@H]2CCCC[NH2+]2)cnc1N1CCCCC1 ZINC000072219173 392200480 /nfs/dbraw/zinc/20/04/80/392200480.db2.gz XQQBJSXEBDCLGW-OAHLLOKOSA-N 1 0 259.397 3.195 40 0 CGABRO OCC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001698288 296548917 /nfs/dbraw/zinc/54/89/17/296548917.db2.gz FDWNWNQGMWZOFX-CQSZACIVSA-N 1 0 253.773 3.249 40 0 CGABRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]([NH3+])C(C)(C)C)C1 ZINC000072208763 397640163 /nfs/dbraw/zinc/64/01/63/397640163.db2.gz JWFFWWIRWVCUFP-NWDGAFQWSA-N 1 0 270.417 3.007 40 0 CGABRO C[NH+]1CCC(OC(=O)Nc2cccc3ccccc32)CC1 ZINC000005675018 170126979 /nfs/dbraw/zinc/12/69/79/170126979.db2.gz CMMKXNWQRFYJOU-UHFFFAOYSA-N 1 0 284.359 3.483 40 0 CGABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000006007745 170168053 /nfs/dbraw/zinc/16/80/53/170168053.db2.gz LIIZJBOIYSYKOB-NFAWXSAZSA-N 1 0 297.826 3.058 40 0 CGABRO CC1CC[NH+](Cc2ccc(O)c3ncccc23)CC1 ZINC000020192120 171058377 /nfs/dbraw/zinc/05/83/77/171058377.db2.gz HRKMAGBFYKDBAD-UHFFFAOYSA-N 1 0 256.349 3.172 40 0 CGABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000037530321 173253008 /nfs/dbraw/zinc/25/30/08/173253008.db2.gz LIIZJBOIYSYKOB-GUTXKFCHSA-N 1 0 297.826 3.058 40 0 CGABRO C[C@H](C[NH2+]C1CCCCCC1)C(=O)OC(C)(C)C ZINC000047219135 175405510 /nfs/dbraw/zinc/40/55/10/175405510.db2.gz CYRQMZITJPVHRA-GFCCVEGCSA-N 1 0 255.402 3.277 40 0 CGABRO COc1cccc(Cc2cccc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000072348403 176372930 /nfs/dbraw/zinc/37/29/30/176372930.db2.gz ZFPFKBJHQAPYLE-HNNXBMFYSA-N 1 0 282.387 3.148 40 0 CGABRO Fc1ccc(Cc2cccc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000072356418 176375633 /nfs/dbraw/zinc/37/56/33/176375633.db2.gz NHCHGNJJPJTAFC-HNNXBMFYSA-N 1 0 256.324 3.236 40 0 CGABRO Cc1ccc(Cc2cc([C@@H]3CCC[NH2+]C3)nc(C)n2)cc1 ZINC000072365187 176380448 /nfs/dbraw/zinc/38/04/48/176380448.db2.gz CRJVABIBRWVJIE-MRXNPFEDSA-N 1 0 281.403 3.151 40 0 CGABRO CC(C)c1ccc(OCCc2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000072374094 176385228 /nfs/dbraw/zinc/38/52/28/176385228.db2.gz UZOKNYOQPKDJPP-HNNXBMFYSA-N 1 0 299.418 3.232 40 0 CGABRO C[C@H]1CCCN([C@@H](C[NH3+])c2c(F)cccc2Cl)C1 ZINC000022178480 299852316 /nfs/dbraw/zinc/85/23/16/299852316.db2.gz MGGRPVFTHDOROX-GWCFXTLKSA-N 1 0 270.779 3.211 40 0 CGABRO CC[C@@H]([NH3+])c1ccc(N2CCc3ccccc3C2)nc1C ZINC000072224940 276432976 /nfs/dbraw/zinc/43/29/76/276432976.db2.gz ZUCOHNCTFJNXNZ-QGZVFWFLSA-N 1 0 281.403 3.363 40 0 CGABRO C[NH+](C)C[C@@](C)(Oc1ccccc1)[C@H](O)c1ccccc1 ZINC000001843233 276800929 /nfs/dbraw/zinc/80/09/29/276800929.db2.gz VLTKRRBYKMGKNV-QZTJIDSGSA-N 1 0 285.387 3.119 40 0 CGABRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)[C@H](O)c1ccc(O)cc1 ZINC000000394206 278363107 /nfs/dbraw/zinc/36/31/07/278363107.db2.gz PTGXAUBQBSGPKF-KHYOSLBOSA-N 1 0 299.414 3.425 40 0 in-man CGABRO Cc1ccc(C(O)(c2ccc(C)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000034370674 278796637 /nfs/dbraw/zinc/79/66/37/278796637.db2.gz FFFPARXSSPKJIS-SFHVURJKSA-N 1 0 281.399 3.291 40 0 CGABRO CC[C@H](O)[C@](CC[NH+](C)C)(c1ccccc1)c1ccccn1 ZINC000001608631 288123159 /nfs/dbraw/zinc/12/31/59/288123159.db2.gz UTGQILSIZRLVAD-RBUKOAKNSA-N 1 0 298.430 3.090 40 0 CGABRO Cc1ccccc1-c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[NH2+]1 ZINC000072398212 327110378 /nfs/dbraw/zinc/11/03/78/327110378.db2.gz TWBDTVCLJWXRSH-SWLSCSKDSA-N 1 0 290.370 3.054 40 0 CGABRO CC(C)(C)c1ccc(N2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225717854 333182146 /nfs/dbraw/zinc/18/21/46/333182146.db2.gz ZGVQOVYPQWCIRI-CVEARBPZSA-N 1 0 258.409 3.315 40 0 CGABRO CC(C)[C@@H]1C[C@@H]([NH3+])c2cc(Br)ccc2O1 ZINC000130879848 346061715 /nfs/dbraw/zinc/06/17/15/346061715.db2.gz FLTFNJGIJIYDQX-PWSUYJOCSA-N 1 0 270.170 3.256 40 0 CGABRO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000253607485 346395117 /nfs/dbraw/zinc/39/51/17/346395117.db2.gz FMLHDYSHTHBTBB-HZPDHXFCSA-N 1 0 291.435 3.424 40 0 CGABRO COCC[C@@H]1Cn2cccc2C[N@H+](Cc2cccs2)C1 ZINC000585094637 346724440 /nfs/dbraw/zinc/72/44/40/346724440.db2.gz BVZLFNAXKMZELZ-AWEZNQCLSA-N 1 0 290.432 3.218 40 0 CGABRO c1cc(C[C@@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)n[nH]1 ZINC000585182122 346725923 /nfs/dbraw/zinc/72/59/23/346725923.db2.gz RCRACAJRNPSKFD-AWEZNQCLSA-N 1 0 294.402 3.346 40 0 CGABRO O=C(Cc1ccccc1)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000000035431 368273613 /nfs/dbraw/zinc/27/36/13/368273613.db2.gz ANRKBSNCMOEINP-IRXDYDNUSA-N 1 0 287.403 3.037 40 0 biogenic,in-vitro CGABRO C[NH2+]C[C@@H](O)CC12CCC(c3ccccc31)c1ccccc12 ZINC000001481891 368416484 /nfs/dbraw/zinc/41/64/84/368416484.db2.gz FDXQKWSTUZCCTM-BQTBQCLESA-N 1 0 293.410 3.182 40 0 in-man CGABRO C[NH+](C)CC[C@H](c1ccccc1)[C@H](CO)c1ccccc1 ZINC000001557241 368418288 /nfs/dbraw/zinc/41/82/88/368418288.db2.gz HKNDXZDSLQGSCE-RTBURBONSA-N 1 0 283.415 3.498 40 0 CGABRO CCOP(=O)(OCC)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000001587002 368420901 /nfs/dbraw/zinc/42/09/01/368420901.db2.gz UWBAVKPWFCHBPQ-AWEZNQCLSA-N 1 0 296.307 3.261 40 0 CGABRO CC[NH+](CC)CCCNc1nc2ccccc2s1 ZINC000001592003 368422253 /nfs/dbraw/zinc/42/22/53/368422253.db2.gz LESBZXZYNOIIAB-UHFFFAOYSA-N 1 0 263.410 3.440 40 0 CGABRO Nc1c[nH+]cc(Br)c1NCCc1ccccc1 ZINC000001699195 368432567 /nfs/dbraw/zinc/43/25/67/368432567.db2.gz UYBFCAHRTADDNV-UHFFFAOYSA-N 1 0 292.180 3.081 40 0 CGABRO [NH3+][C@H](c1ccc(O)cc1)c1cccc(Br)c1 ZINC000016697352 368719757 /nfs/dbraw/zinc/71/97/57/368719757.db2.gz QEYJAQHOURMNGR-CYBMUJFWSA-N 1 0 278.149 3.203 40 0 CGABRO OCC[N@H+](Cc1cccs1)Cc1ccc2ccccc2n1 ZINC000013997485 368673232 /nfs/dbraw/zinc/67/32/32/368673232.db2.gz RXDXDXWRUPQCKP-UHFFFAOYSA-N 1 0 298.411 3.291 40 0 CGABRO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](CC[C@H](C)c1ccccc1)C2 ZINC000019576575 368756521 /nfs/dbraw/zinc/75/65/21/368756521.db2.gz GILNIYWRTKIJMT-ZDUSSCGKSA-N 1 0 297.402 3.043 40 0 CGABRO CCN(CC)CC[NH2+]Cc1cccc2ccccc21 ZINC000019919119 368785014 /nfs/dbraw/zinc/78/50/14/368785014.db2.gz IZWKUXAVBQJKDA-UHFFFAOYSA-N 1 0 256.393 3.271 40 0 CGABRO O[C@H](C[NH2+]Cc1ccccc1)c1cccc(Cl)c1 ZINC000026897941 368865227 /nfs/dbraw/zinc/86/52/27/368865227.db2.gz TZEGKWSSUBLZGT-OAHLLOKOSA-N 1 0 261.752 3.163 40 0 CGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(Cl)c1)C(C)C ZINC000037808901 369116939 /nfs/dbraw/zinc/11/69/39/369116939.db2.gz SZUYMSNQUVYFIP-AWEZNQCLSA-N 1 0 282.815 3.060 40 0 CGABRO C[C@H](C[NH2+]Cc1ccccc1Cl)C(=O)OC(C)(C)C ZINC000047219125 369310051 /nfs/dbraw/zinc/31/00/51/369310051.db2.gz CWYPZUPXNJKXHY-LLVKDONJSA-N 1 0 283.799 3.407 40 0 CGABRO CC(C)(C)c1cc(CC2([NH2+]C3CCCCC3)COC2)no1 ZINC000067897837 369734679 /nfs/dbraw/zinc/73/46/79/369734679.db2.gz OIZBPPFZKDEOAC-UHFFFAOYSA-N 1 0 292.423 3.206 40 0 biogenic,in-vitro CGABRO CC(C)N(C[C@@H]1CCC[NH2+]C1)C(=O)OCc1ccccc1 ZINC000079437849 369968337 /nfs/dbraw/zinc/96/83/37/369968337.db2.gz GOVJGIFNWBAZLF-MRXNPFEDSA-N 1 0 290.407 3.033 40 0 CGABRO CCN(C(=O)OCc1ccccc1)[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000079437810 369968736 /nfs/dbraw/zinc/96/87/36/369968736.db2.gz IIVASKQQTWZDTG-JKSUJKDBSA-N 1 0 290.407 3.176 40 0 CGABRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(Cl)cc3)C2)C1 ZINC000096268575 370208997 /nfs/dbraw/zinc/20/89/97/370208997.db2.gz XCLAKTGLPULDCJ-MRXNPFEDSA-N 1 0 278.827 3.258 40 0 CGABRO O[C@H]1CC[C@](c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000101164135 370288107 /nfs/dbraw/zinc/28/81/07/370288107.db2.gz KPRUAZBLIREHPD-QAQDUYKDSA-N 1 0 259.393 3.303 40 0 in-vitro CGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2cccc(C)n2)o1 ZINC000306141129 374127887 /nfs/dbraw/zinc/12/78/87/374127887.db2.gz VLWWFIYDAHQFPC-DLBZAZTESA-N 1 0 297.402 3.145 40 0 CGABRO CC[C@H](C)n1nccc1C[NH2+]Cc1ccc(OC)cc1 ZINC000256054838 190005402 /nfs/dbraw/zinc/00/54/02/190005402.db2.gz YAAAXYSBEBKVMO-ZDUSSCGKSA-N 1 0 273.380 3.153 40 0 CGABRO CCCn1nccc1-c1ccc(C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000257219475 190013756 /nfs/dbraw/zinc/01/37/56/190013756.db2.gz DGXGGXCTDQOCGQ-MRXNPFEDSA-N 1 0 298.434 3.239 40 0 CGABRO C[NH2+][C@H]1CC[C@H](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000257247086 190019375 /nfs/dbraw/zinc/01/93/75/190019375.db2.gz IXJGJNQSEDVSTR-UMSPYCQHSA-N 1 0 272.314 3.421 40 0 CGABRO Cc1nc(-c2ccc(C[C@@H]3CC[N@@H+](C)C3)cn2)sc1C ZINC000257259912 190022382 /nfs/dbraw/zinc/02/23/82/190022382.db2.gz LAQNPFZZVLJAGX-AWEZNQCLSA-N 1 0 287.432 3.316 40 0 CGABRO CNc1cc([C@H]2CCC[N@@H+]2Cc2ccsc2)nc(C)n1 ZINC000257283991 190026039 /nfs/dbraw/zinc/02/60/39/190026039.db2.gz PAUIMPRHISEPFH-CQSZACIVSA-N 1 0 288.420 3.225 40 0 CGABRO CC(C)n1nccc1-c1cc([C@@H]2CCC[N@@H+]2C)ccn1 ZINC000257289193 190027736 /nfs/dbraw/zinc/02/77/36/190027736.db2.gz PXLIAENNXNRXNG-HNNXBMFYSA-N 1 0 270.380 3.293 40 0 CGABRO Cc1c[nH]c([C@@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000257295725 190028122 /nfs/dbraw/zinc/02/81/22/190028122.db2.gz QZPRFNUKBRPVRT-HNNXBMFYSA-N 1 0 255.365 3.098 40 0 CGABRO Cc1nccc([C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000257301057 190030138 /nfs/dbraw/zinc/03/01/38/190030138.db2.gz RWVFEDMBHNXNTK-AWEZNQCLSA-N 1 0 259.397 3.297 40 0 CGABRO Clc1ccccc1CN1CC[C@H]2[NH2+]CCCC[C@H]21 ZINC000257303045 190030655 /nfs/dbraw/zinc/03/06/55/190030655.db2.gz SFOFGMACTLTAIX-HUUCEWRRSA-N 1 0 264.800 3.056 40 0 CGABRO Cc1cccc(C[NH+]2CCC(Cc3ccncc3)CC2)n1 ZINC000257311366 190032028 /nfs/dbraw/zinc/03/20/28/190032028.db2.gz UJCFCCOGVFYMPU-UHFFFAOYSA-N 1 0 281.403 3.240 40 0 CGABRO Cc1cc(Br)cnc1C[C@@H]([NH3+])c1ccccc1 ZINC000094051733 184752837 /nfs/dbraw/zinc/75/28/37/184752837.db2.gz DEVUTHFBRICPNN-CYBMUJFWSA-N 1 0 291.192 3.395 40 0 CGABRO c1ccc(COc2ncccc2[C@H]2CCC[NH2+]2)cc1 ZINC000072212062 392197345 /nfs/dbraw/zinc/19/73/45/392197345.db2.gz OGOHWYJQSIMHPY-OAHLLOKOSA-N 1 0 254.333 3.085 40 0 CGABRO Cc1cc(N)ncc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218490 392200572 /nfs/dbraw/zinc/20/05/72/392200572.db2.gz CSLVOZBAPRHDDP-MRXNPFEDSA-N 1 0 267.376 3.309 40 0 CGABRO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCC[N@H+]1C ZINC000072219205 392200594 /nfs/dbraw/zinc/20/05/94/392200594.db2.gz DXOIDGIHFXEZEH-HNNXBMFYSA-N 1 0 259.397 3.147 40 0 CGABRO CC(C)(C)OC(=O)N1CCC([C@@H]([NH3+])C(C)(C)C)CC1 ZINC000072208676 397640156 /nfs/dbraw/zinc/64/01/56/397640156.db2.gz PBOKPZWQAQGXMJ-GFCCVEGCSA-N 1 0 270.417 3.007 40 0 CGABRO COC(=O)[C@](C)(c1ccccc1)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000085393523 397641279 /nfs/dbraw/zinc/64/12/79/397641279.db2.gz MMRSEEBTACCPCS-ZQIUZPCESA-N 1 0 275.392 3.053 40 0 CGABRO CCCCCOC(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000005550464 170111962 /nfs/dbraw/zinc/11/19/62/170111962.db2.gz QPIHQPSZIGFZSL-CQSZACIVSA-N 1 0 272.433 3.413 40 0 CGABRO CC[C@H](OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000006355962 170195160 /nfs/dbraw/zinc/19/51/60/170195160.db2.gz KZUCROJGSXJBCA-SZMVWBNQSA-N 1 0 291.435 3.390 40 0 CGABRO CC[N@H+](CCO)[C@H](Cc1ccccc1)c1ccccc1 ZINC000006384908 170196902 /nfs/dbraw/zinc/19/69/02/170196902.db2.gz VIINOCXXNVSWPL-GOSISDBHSA-N 1 0 269.388 3.285 40 0 CGABRO CCOc1cc(C=O)ccc1OCCC[NH+]1CCCCC1 ZINC000008731486 170351315 /nfs/dbraw/zinc/35/13/15/170351315.db2.gz HVHPLLFDXBNRBO-UHFFFAOYSA-N 1 0 291.391 3.153 40 0 CGABRO [NH3+]C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCCCC1 ZINC000022217483 171376434 /nfs/dbraw/zinc/37/64/34/171376434.db2.gz LLMTVCXUFHAIAK-ZDUSSCGKSA-N 1 0 288.313 3.071 40 0 CGABRO O[C@H](C[NH2+]C1CCCCC1)COc1ccccc1Cl ZINC000026919760 171503441 /nfs/dbraw/zinc/50/34/41/171503441.db2.gz TZUHTCZKDITUEF-CYBMUJFWSA-N 1 0 283.799 3.002 40 0 CGABRO OCc1cccc(Oc2cccc(C[NH+]3CCCCC3)n2)c1 ZINC000044138790 175146541 /nfs/dbraw/zinc/14/65/41/175146541.db2.gz IWDMINVLRSOZFJ-UHFFFAOYSA-N 1 0 298.386 3.352 40 0 CGABRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]([NH3+])c1ccccc1 ZINC000071617715 176234736 /nfs/dbraw/zinc/23/47/36/176234736.db2.gz NZRSPPIHSYBLSO-KGLIPLIRSA-N 1 0 276.380 3.086 40 0 CGABRO CN(Cc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000072203557 176341439 /nfs/dbraw/zinc/34/14/39/176341439.db2.gz NXICHINWDCUHHU-NSHDSACASA-N 1 0 273.207 3.177 40 0 CGABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072355677 176375033 /nfs/dbraw/zinc/37/50/33/176375033.db2.gz QXYZSGSPJSLMSF-OAHLLOKOSA-N 1 0 284.407 3.375 40 0 CGABRO COc1ccccc1Cc1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072356429 176375537 /nfs/dbraw/zinc/37/55/37/176375537.db2.gz YGCWKAUFLVVRJR-OAHLLOKOSA-N 1 0 268.360 3.106 40 0 CGABRO Clc1cccc(-c2nccnc2[C@@H]2CCC[NH2+]C2)c1 ZINC000072356384 176375788 /nfs/dbraw/zinc/37/57/88/176375788.db2.gz UEXYZAPGKHUBSM-GFCCVEGCSA-N 1 0 273.767 3.264 40 0 CGABRO COc1ccccc1Cc1ccnc(C2CC[NH2+]CC2)c1 ZINC000072365268 176380317 /nfs/dbraw/zinc/38/03/17/176380317.db2.gz RDMIDKLUUPNFEE-UHFFFAOYSA-N 1 0 282.387 3.148 40 0 CGABRO Cc1cccc(C[N@@H+]2CCC[C@H](Cc3cccnc3)C2)n1 ZINC000072385804 176390574 /nfs/dbraw/zinc/39/05/74/176390574.db2.gz VNIBATRLJZRPJX-QGZVFWFLSA-N 1 0 281.403 3.240 40 0 CGABRO O=c1[nH]c([C@H]2CCC[NH2+]2)nc2c3cc(Cl)ccc3oc21 ZINC000299853377 275062221 /nfs/dbraw/zinc/06/22/21/275062221.db2.gz JJWLXRKVUJDJKG-SECBINFHSA-N 1 0 289.722 3.160 40 0 in-man CGABRO CC[NH+](CC)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000004279605 276108959 /nfs/dbraw/zinc/10/89/59/276108959.db2.gz RPGOVGAMPYZGQB-SFHVURJKSA-N 1 0 299.414 3.435 40 0 CGABRO C[NH2+]CCCNc1ccnc2c(C)cc(Cl)cc12 ZINC000222679919 327935062 /nfs/dbraw/zinc/93/50/62/327935062.db2.gz YOBGIEFFTQFEGK-UHFFFAOYSA-N 1 0 263.772 3.218 40 0 CGABRO C[C@@H]1CCC[N@H+](CCCCOc2ccc(C=O)cc2)C1 ZINC000217793518 230396804 /nfs/dbraw/zinc/39/68/04/230396804.db2.gz UDMYHMXJRJNNEU-OAHLLOKOSA-N 1 0 275.392 3.390 40 0 CGABRO c1csc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000096046932 185073383 /nfs/dbraw/zinc/07/33/83/185073383.db2.gz WLUVVSQITBYVFW-QGZVFWFLSA-N 1 0 290.476 3.446 40 0 CGABRO Cc1nc(N2Cc3ccccc3C[C@@H]2C)cc(NC2CC2)[nH+]1 ZINC000329013546 136377302 /nfs/dbraw/zinc/37/73/02/136377302.db2.gz MQKSPQZMLNFRKG-LBPRGKRZSA-N 1 0 294.402 3.311 40 0 CGABRO c1csc(-c2ccc3c([C@H]4CCC[NH2+]4)ncn3c2)c1 ZINC000306131885 201841607 /nfs/dbraw/zinc/84/16/07/201841607.db2.gz KSBUOHLGAMRDPX-GFCCVEGCSA-N 1 0 269.373 3.487 40 0 CGABRO [NH3+]C[C@H](c1c[nH]c2cc(Cl)ccc21)C(F)(F)F ZINC000096529465 345902971 /nfs/dbraw/zinc/90/29/71/345902971.db2.gz KPISXAABKDKLIC-SECBINFHSA-N 1 0 262.662 3.426 40 0 CGABRO c1sc(Nc2ccccn2)nc1[C@@H]1CCCC[NH2+]1 ZINC000205681014 346283513 /nfs/dbraw/zinc/28/35/13/346283513.db2.gz QYDIDYKPHLBPJC-JTQLQIEISA-N 1 0 260.366 3.096 40 0 CGABRO COCC[C@@H]1CCOC12CC[NH+](Cc1ccsc1)CC2 ZINC000585102767 346724328 /nfs/dbraw/zinc/72/43/28/346724328.db2.gz GYVIKEHMZLXNBC-OAHLLOKOSA-N 1 0 295.448 3.156 40 0 CGABRO Clc1ccc2ncc(-c3cc([C@H]4CCC[NH2+]4)ccn3)n2c1 ZINC000585262887 346725891 /nfs/dbraw/zinc/72/58/91/346725891.db2.gz CGTNAYJWDIQUEM-CYBMUJFWSA-N 1 0 298.777 3.474 40 0 CGABRO CN(C)c1ccc2c(c1)S[C@H]1CC(=[NH2+])CC[C@@H]1N2 ZINC000604940882 348138809 /nfs/dbraw/zinc/13/88/09/348138809.db2.gz AVOGIHRAPDCQKW-AAEUAGOBSA-N 1 0 261.394 3.211 40 0 CGABRO CC[C@@H](C)Nc1ncnc2c1cnn2-c1cccc(C)c1 ZINC000000425598 368362637 /nfs/dbraw/zinc/36/26/37/368362637.db2.gz ZTDJYKDOKYGZAY-GFCCVEGCSA-N 1 0 281.363 3.334 40 0 CGABRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2)cc1OC ZINC000001634311 368424772 /nfs/dbraw/zinc/42/47/72/368424772.db2.gz LFUSPXMHTMBJNP-CQSZACIVSA-N 1 0 285.387 3.425 40 0 CGABRO CC(C)C[NH+](CC(C)C)Cn1nnc2ccccc21 ZINC000001717606 368434365 /nfs/dbraw/zinc/43/43/65/368434365.db2.gz CAIBGENFUYAVQL-UHFFFAOYSA-N 1 0 260.385 3.003 40 0 CGABRO CCCCC[C@H](C)[NH2+]CCOC(=O)c1ccccc1 ZINC000001710485 368434770 /nfs/dbraw/zinc/43/47/70/368434770.db2.gz CHTVGNQIZAXOHT-AWEZNQCLSA-N 1 0 263.381 3.402 40 0 CGABRO Cc1cc(C)c(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000003865340 368521909 /nfs/dbraw/zinc/52/19/09/368521909.db2.gz RRGHERDNNOVPPF-IRXDYDNUSA-N 1 0 291.435 3.226 40 0 CGABRO Cc1cccc(C)c1OC[C@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000012169982 368605134 /nfs/dbraw/zinc/60/51/34/368605134.db2.gz GUZAMDMFRDCEJA-GRDNDAEWSA-N 1 0 291.435 3.021 40 0 CGABRO CCCCn1c2ccccc2nc1C[NH+]1CCCC1 ZINC000015922134 368705364 /nfs/dbraw/zinc/70/53/64/368705364.db2.gz JTMZEOMHQFQPER-UHFFFAOYSA-N 1 0 257.381 3.432 40 0 CGABRO CCc1cc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cs1 ZINC000019522126 368757162 /nfs/dbraw/zinc/75/71/62/368757162.db2.gz IFPJJDBQZRXQTI-CYBMUJFWSA-N 1 0 294.464 3.305 40 0 CGABRO C[NH+](C)CCN(Cc1cccs1)Cc1cccs1 ZINC000023247832 368818719 /nfs/dbraw/zinc/81/87/19/368818719.db2.gz OMQLYYNNNNOWNB-UHFFFAOYSA-N 1 0 280.462 3.373 40 0 CGABRO CCCC[NH2+]Cc1cc(F)ccc1Br ZINC000020044307 368795778 /nfs/dbraw/zinc/79/57/78/368795778.db2.gz GARKVJOFRRHBEG-UHFFFAOYSA-N 1 0 260.150 3.478 40 0 CGABRO Cc1ccc(OCC[C@@H](O)C[NH2+]C2CCCCC2)cc1C ZINC000028295324 368885171 /nfs/dbraw/zinc/88/51/71/368885171.db2.gz PHMHTXNYQPWEIU-QGZVFWFLSA-N 1 0 291.435 3.356 40 0 CGABRO CC(C)[N@H+](CCO)Cc1ccc(Cl)cc1Cl ZINC000049824729 369416600 /nfs/dbraw/zinc/41/66/00/369416600.db2.gz FYZDZUABDBOKAW-UHFFFAOYSA-N 1 0 262.180 3.196 40 0 CGABRO C[NH2+][C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000053201435 369480790 /nfs/dbraw/zinc/48/07/90/369480790.db2.gz ZCAWZADIRXMZBL-NSHDSACASA-N 1 0 273.207 3.177 40 0 CGABRO CC(C)(C)OC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000067800796 369730462 /nfs/dbraw/zinc/73/04/62/369730462.db2.gz OAXXUWURHXATFA-UHFFFAOYSA-N 1 0 282.428 3.308 40 0 CGABRO CC(C)(C)OC(=O)N1CCN[C@@H](c2ccccc2Cl)C1 ZINC000082046612 369998139 /nfs/dbraw/zinc/99/81/39/369998139.db2.gz CUYSHPOIPCNCLY-CYBMUJFWSA-N 1 0 296.798 3.221 40 0 CGABRO Cc1ccc(C[N@H+]2CCC[C@]3(CCCC(=O)N3C)C2)s1 ZINC000096049961 370202509 /nfs/dbraw/zinc/20/25/09/370202509.db2.gz SCZRIBLMIQJVFJ-MRXNPFEDSA-N 1 0 292.448 3.033 40 0 CGABRO CC(C)[N@H+](C)Cc1cncc2c1CCN(Cc1ccoc1)C2 ZINC000096189464 370207480 /nfs/dbraw/zinc/20/74/80/370207480.db2.gz FKYSRGDJYXKKSA-UHFFFAOYSA-N 1 0 299.418 3.073 40 0 CGABRO Clc1cccc2c(N3CC[C@@]4(CC[NH2+]C4)C3)ccnc12 ZINC000334990120 375055845 /nfs/dbraw/zinc/05/58/45/375055845.db2.gz MVBAZIPMJANDLZ-MRXNPFEDSA-N 1 0 287.794 3.078 40 0 CGABRO C[N@@H+]1CCC[C@H](c2cnc(Cc3ccccc3F)cn2)C1 ZINC000257209483 190012171 /nfs/dbraw/zinc/01/21/71/190012171.db2.gz BQOSWEDZBDVRFO-AWEZNQCLSA-N 1 0 285.366 3.016 40 0 CGABRO [NH3+][C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccccc2)[C@@H]1O ZINC000257247197 190019669 /nfs/dbraw/zinc/01/96/69/190019669.db2.gz IXWWQOHWDDKKRN-ZTFGCOKTSA-N 1 0 299.370 3.098 40 0 CGABRO c1csc(C[NH+]2CCC(c3ccnc4ccnn43)CC2)c1 ZINC000257250344 190019899 /nfs/dbraw/zinc/01/98/99/190019899.db2.gz JMDXBYWOAGUXJQ-UHFFFAOYSA-N 1 0 298.415 3.170 40 0 CGABRO OC1(C[N@@H+]2CCC[C@H](c3nccs3)C2)CCCCC1 ZINC000257265926 190023213 /nfs/dbraw/zinc/02/32/13/190023213.db2.gz MAXJXXPJJCISKR-ZDUSSCGKSA-N 1 0 280.437 3.018 40 0 CGABRO Cc1cnc(-c2cc(C)nc([C@@H]3CCCC[NH2+]3)n2)s1 ZINC000257280650 190025684 /nfs/dbraw/zinc/02/56/84/190025684.db2.gz OLSNZYMQWQNKDX-NSHDSACASA-N 1 0 274.393 3.032 40 0 CGABRO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3ccsc3)C2)n1 ZINC000257272802 190024506 /nfs/dbraw/zinc/02/45/06/190024506.db2.gz NDYDFUXKOIRVGV-AWEZNQCLSA-N 1 0 275.421 3.170 40 0 CGABRO CCn1nccc1-c1cccc(C[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000257296081 190028790 /nfs/dbraw/zinc/02/87/90/190028790.db2.gz RBDVDGPLQWLKTL-OAHLLOKOSA-N 1 0 298.434 3.238 40 0 CGABRO CC1CCC(N2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)CC1 ZINC000197193275 376120773 /nfs/dbraw/zinc/12/07/73/376120773.db2.gz ALKCVQHSCHWEHN-OLOUCDKRSA-N 1 0 288.479 3.395 40 0 CGABRO CC[n+]1cccc(-c2nc3cc(Cl)c(C)cc3[nH]2)c1 ZINC000226774495 376372807 /nfs/dbraw/zinc/37/28/07/376372807.db2.gz YKPGZFVSQKJVSB-UHFFFAOYSA-N 1 0 272.759 3.499 40 0 CGABRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+]C2CCCC2)CC1 ZINC000238192390 376771659 /nfs/dbraw/zinc/77/16/59/376771659.db2.gz BWYYVYIBDTZGRZ-HDJSIYSDSA-N 1 0 282.428 3.355 40 0 CGABRO O=C1C[C@@H]([C@H]2CCC[NH2+]C2)Oc2ccc3ccccc3c21 ZINC000013567020 284835589 /nfs/dbraw/zinc/83/55/89/284835589.db2.gz ISJDIJKPQDJCDQ-GUYCJALGSA-N 1 0 281.355 3.173 40 0 CGABRO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000037530296 291848773 /nfs/dbraw/zinc/84/87/73/291848773.db2.gz JGRVELMYSIWKMD-ULQDDVLXSA-N 1 0 291.435 3.021 40 0 CGABRO C[C@H]1CCCN([C@@H](C[NH3+])c2ccccc2C(F)(F)F)C1 ZINC000022214540 391944445 /nfs/dbraw/zinc/94/44/45/391944445.db2.gz QXBLZPZKYKSHMT-FZMZJTMJSA-N 1 0 286.341 3.437 40 0 CGABRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072211654 392196992 /nfs/dbraw/zinc/19/69/92/392196992.db2.gz ZRDQMYXDLAKLOY-INIZCTEOSA-N 1 0 268.360 3.427 40 0 CGABRO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072214450 392198769 /nfs/dbraw/zinc/19/87/69/392198769.db2.gz DVWBRMATBLGORP-ZDUSSCGKSA-N 1 0 291.395 3.268 40 0 CGABRO CCN(CC)c1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072212896 392199154 /nfs/dbraw/zinc/19/91/54/392199154.db2.gz DNEUAWBGKJIOIR-OAHLLOKOSA-N 1 0 261.413 3.473 40 0 CGABRO Cc1cc(N2CCCC2)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223483 392202754 /nfs/dbraw/zinc/20/27/54/392202754.db2.gz UAAKTNZTYWRAFS-QGZVFWFLSA-N 1 0 267.376 3.038 40 0 CGABRO Cc1nc(N2CCCCC2)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224554 392204054 /nfs/dbraw/zinc/20/40/54/392204054.db2.gz XSIZQVSJHHXAOG-GOSISDBHSA-N 1 0 281.403 3.428 40 0 CGABRO C[C@H]([NH3+])c1cc2ccccc2n1C(=O)OC(C)(C)C ZINC000096509779 392255898 /nfs/dbraw/zinc/25/58/98/392255898.db2.gz GATBGTUXYHUJOS-JTQLQIEISA-N 1 0 260.337 3.444 40 0 CGABRO Clc1cccc(-c2n[nH]c3c2[C@H]2CC[C@@H](C3)[NH2+]2)c1 ZINC000096510282 392257548 /nfs/dbraw/zinc/25/75/48/392257548.db2.gz SSTAZMJIKMBLJA-WDEREUQCSA-N 1 0 259.740 3.079 40 0 CGABRO c1cc2cc(C[C@H]3COCC[N@@H+](CC4CC4)C3)ccc2[nH]1 ZINC000257322456 393135727 /nfs/dbraw/zinc/13/57/27/393135727.db2.gz WGBQEPBPWVRYGF-MRXNPFEDSA-N 1 0 284.403 3.069 40 0 CGABRO Cc1ccccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000004904188 170039261 /nfs/dbraw/zinc/03/92/61/170039261.db2.gz IGYFAJNYPQSNLD-UHFFFAOYSA-N 1 0 272.436 3.445 40 0 CGABRO CCn1c(/C=C/c2cc[n+](C)cc2)nc2ccccc21 ZINC000004906700 170040062 /nfs/dbraw/zinc/04/00/62/170040062.db2.gz QGOJVZGBOSTERD-UHFFFAOYSA-N 1 0 264.352 3.051 40 0 CGABRO c1ccc2c(c1)oc1c2ncnc1NCC[NH+]1CCCCC1 ZINC000005604900 170119034 /nfs/dbraw/zinc/11/90/34/170119034.db2.gz CXCNZWPCPRAXFI-UHFFFAOYSA-N 1 0 296.374 3.274 40 0 CGABRO CC[C@]12CCCC[C@@H]1[C@H]([NH2+]C)Cc1ccc(OC)c(O)c12 ZINC000005732940 170135036 /nfs/dbraw/zinc/13/50/36/170135036.db2.gz CBFWFEDSFMJHCD-LBTNJELSSA-N 1 0 289.419 3.383 40 0 CGABRO CC[C@H](CO)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000005908190 170153577 /nfs/dbraw/zinc/15/35/77/170153577.db2.gz QYOOHLXOECKDGX-QGZVFWFLSA-N 1 0 285.387 3.126 40 0 CGABRO OCC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000006536145 170211285 /nfs/dbraw/zinc/21/12/85/170211285.db2.gz FDWNWNQGMWZOFX-AWEZNQCLSA-N 1 0 253.773 3.249 40 0 CGABRO C[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000007540096 170290208 /nfs/dbraw/zinc/29/02/08/170290208.db2.gz KYFPAOHWQQXSKK-UHFFFAOYSA-N 1 0 271.360 3.036 40 0 CGABRO COc1cc(C=O)ccc1OCCC[N@@H+]1CCC[C@H](C)C1 ZINC000008731574 170351074 /nfs/dbraw/zinc/35/10/74/170351074.db2.gz MVAMVOKYOOMUMS-AWEZNQCLSA-N 1 0 291.391 3.009 40 0 CGABRO Cc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccccn4)C3)nc2c1 ZINC000035446562 172202366 /nfs/dbraw/zinc/20/23/66/172202366.db2.gz YAOFQVPYHFJYIR-AWEZNQCLSA-N 1 0 292.386 3.256 40 0 biogenic,in-vitro CGABRO Cc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)n1 ZINC000040186684 174203023 /nfs/dbraw/zinc/20/30/23/174203023.db2.gz RPDIKLCMTSRUMI-UHFFFAOYSA-N 1 0 265.360 3.204 40 0 CGABRO CCCOc1ccc2ccccc2c1CN1CC[NH2+]CC1 ZINC000071445833 176175411 /nfs/dbraw/zinc/17/54/11/176175411.db2.gz ZZKDMOGIBARTOJ-UHFFFAOYSA-N 1 0 284.403 3.034 40 0 CGABRO Cc1ccccc1Cc1cccc(C2CC[NH2+]CC2)n1 ZINC000072356410 176375488 /nfs/dbraw/zinc/37/54/88/176375488.db2.gz XDUZWEULRQCQFJ-UHFFFAOYSA-N 1 0 266.388 3.448 40 0 CGABRO COc1ccccc1Cc1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072356428 176375834 /nfs/dbraw/zinc/37/58/34/176375834.db2.gz YGCWKAUFLVVRJR-HNNXBMFYSA-N 1 0 268.360 3.106 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H]1CCc1cc(-c2cccnc2)ncn1 ZINC000072365141 176379934 /nfs/dbraw/zinc/37/99/34/176379934.db2.gz SYSYMNKTHFGBKE-QGZVFWFLSA-N 1 0 296.418 3.344 40 0 CGABRO Fc1cccc(CNc2cccc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000072365075 176380001 /nfs/dbraw/zinc/38/00/01/176380001.db2.gz DFQXPGZQAYWWAO-AWEZNQCLSA-N 1 0 285.366 3.300 40 0 CGABRO Cc1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)ccn1 ZINC000072366678 176381985 /nfs/dbraw/zinc/38/19/85/176381985.db2.gz DBCLRWNDPIYCNJ-KRWDZBQOSA-N 1 0 267.376 3.165 40 0 CGABRO Cc1csc(Nc2cccc([C@@H]3CCC[NH2+]3)n2)n1 ZINC000072376498 176385347 /nfs/dbraw/zinc/38/53/47/176385347.db2.gz JVRXFYXUITXVRU-JTQLQIEISA-N 1 0 260.366 3.015 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H]1c1nccnc1Nc1ccccn1 ZINC000072384614 176388529 /nfs/dbraw/zinc/38/85/29/176388529.db2.gz XHJQLWMGOALJMW-ZDUSSCGKSA-N 1 0 283.379 3.161 40 0 CGABRO Fc1cccc(CNc2cccc([C@H]3CCC[NH2+]3)n2)c1 ZINC000072386761 176392005 /nfs/dbraw/zinc/39/20/05/176392005.db2.gz KOFVWXHWUBFPHG-CQSZACIVSA-N 1 0 271.339 3.257 40 0 CGABRO O[C@@H]1CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]2C1 ZINC000005084611 275054297 /nfs/dbraw/zinc/05/42/97/275054297.db2.gz YZHQOLWNBFSHQZ-MMQJMDILSA-N 1 0 296.414 3.248 40 0 CGABRO CC(C)c1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000074713334 275742512 /nfs/dbraw/zinc/74/25/12/275742512.db2.gz YOQHDEKVBINBSO-UHFFFAOYSA-N 1 0 260.381 3.090 40 0 CGABRO CCO[C@H]1CC2(CC[NH+](C)CC2)c2cc(OC)ccc21 ZINC000096241876 276358789 /nfs/dbraw/zinc/35/87/89/276358789.db2.gz JNNJDJSVBLJSBO-INIZCTEOSA-N 1 0 275.392 3.140 40 0 CGABRO CC[N@@H+]1CCC[C@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218792 276379909 /nfs/dbraw/zinc/37/99/09/276379909.db2.gz ALAPJRHGXIUCQB-HNNXBMFYSA-N 1 0 259.397 3.147 40 0 CGABRO C[NH2+]Cc1c(Br)sc2c1CCCC2 ZINC000064874371 277286617 /nfs/dbraw/zinc/28/66/17/277286617.db2.gz NFWIJOWDPMVMDE-UHFFFAOYSA-N 1 0 260.200 3.109 40 0 CGABRO COC(=O)[C@@](C)(c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000109051823 277376327 /nfs/dbraw/zinc/37/63/27/277376327.db2.gz MMRSEEBTACCPCS-JKIFEVAISA-N 1 0 275.392 3.053 40 0 CGABRO Cc1ccc(C[NH2+]CCCNc2nc(C)cc(C)n2)s1 ZINC000062717859 333176021 /nfs/dbraw/zinc/17/60/21/333176021.db2.gz LPUVWGPVTTXVCP-UHFFFAOYSA-N 1 0 290.436 3.055 40 0 CGABRO Cc1cc(C)nc(NCCC[NH2+]C[C@@H](C)c2ccccc2)n1 ZINC000062717880 333176174 /nfs/dbraw/zinc/17/61/74/333176174.db2.gz DJLCDTHXZQQWLT-CQSZACIVSA-N 1 0 298.434 3.289 40 0 CGABRO C[C@H](c1ccc(O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC001529031579 938070335 /nfs/dbraw/zinc/07/03/35/938070335.db2.gz HVCGSSXLJFYAMF-CQSZACIVSA-N 1 0 285.387 3.484 40 0 CGABRO CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cccs1)C2 ZINC000096056792 185077113 /nfs/dbraw/zinc/07/71/13/185077113.db2.gz NLEXSHPMPYXTBJ-HZPDHXFCSA-N 1 0 295.448 3.156 40 0 CGABRO CNc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000329013509 136377042 /nfs/dbraw/zinc/37/70/42/136377042.db2.gz MQDHNZPOPJWPST-LBPRGKRZSA-N 1 0 294.402 3.347 40 0 CGABRO Cc1cc(N2Cc3ccccc3C[C@H]2C)nc(NC2CC2)[nH+]1 ZINC000328990931 136377092 /nfs/dbraw/zinc/37/70/92/136377092.db2.gz IQHXAXDBXHUMHN-CYBMUJFWSA-N 1 0 294.402 3.311 40 0 CGABRO CC(C)Oc1cccc([C@@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000127955665 187343779 /nfs/dbraw/zinc/34/37/79/187343779.db2.gz GJMYPHGIPZDABU-CZUORRHYSA-N 1 0 263.381 3.303 40 0 CGABRO CC(C)N1C[C@]2(CCC[N@@H+]([C@H](C)c3ccccc3)C2)C1=O ZINC000585099439 346724590 /nfs/dbraw/zinc/72/45/90/346724590.db2.gz JNQCJPAYAYGKAR-CRAIPNDOSA-N 1 0 286.419 3.080 40 0 CGABRO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000352296529 219397527 /nfs/dbraw/zinc/39/75/27/219397527.db2.gz FKUQXBXCEVGEIP-INIZCTEOSA-N 1 0 287.382 3.373 40 0 CGABRO [NH3+][C@H]1CCCC[C@H]1Nc1ccccc1Br ZINC000218859589 376191770 /nfs/dbraw/zinc/19/17/70/376191770.db2.gz XDJVHLGILBAFGM-CMPLNLGQSA-N 1 0 269.186 3.131 40 0 CGABRO CCCCOc1cccc([C@H](C)[NH2+]CCOC)c1 ZINC000225166198 189744797 /nfs/dbraw/zinc/74/47/97/189744797.db2.gz SBNSYPLDFJTRSM-ZDUSSCGKSA-N 1 0 251.370 3.163 40 0 CGABRO CC[C@H](C)[C@H](C(=O)OC1CC[NH+](C)CC1)c1ccccc1 ZINC000000155894 368304941 /nfs/dbraw/zinc/30/49/41/368304941.db2.gz UKQYEYCQIQBHBC-YOEHRIQHSA-N 1 0 289.419 3.454 40 0 in-man CGABRO CCOC(=O)C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000001569399 368418872 /nfs/dbraw/zinc/41/88/72/368418872.db2.gz BLNAEFOCNRFVFF-MRXNPFEDSA-N 1 0 275.392 3.413 40 0 CGABRO CC[N@H+](CCO)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001668847 368429329 /nfs/dbraw/zinc/42/93/29/368429329.db2.gz VIINOCXXNVSWPL-SFHVURJKSA-N 1 0 269.388 3.285 40 0 CGABRO Cc1ccc(C(=O)OCc2ccccc2C[NH+](C)C)cc1 ZINC000001716134 368434553 /nfs/dbraw/zinc/43/45/53/368434553.db2.gz ZNUNSNWOGGWMTF-UHFFFAOYSA-N 1 0 283.371 3.414 40 0 CGABRO CC(C)(C[NH2+]C1CCCCC1)OC(=O)c1ccc(N)cc1 ZINC000001710504 368434614 /nfs/dbraw/zinc/43/46/14/368434614.db2.gz SYWTXOKNKKVZSQ-UHFFFAOYSA-N 1 0 290.407 3.127 40 0 CGABRO CC(C)[C@H]1C[C@@H](C[NH+]2CCCCC2)[C@@H](C)[C@@H](O)C1 ZINC000004726945 368556982 /nfs/dbraw/zinc/55/69/82/368556982.db2.gz HHGGWQPKVIPABL-UGUYLWEFSA-N 1 0 253.430 3.152 40 0 CGABRO CCCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020112490 368804258 /nfs/dbraw/zinc/80/42/58/368804258.db2.gz PAXAFQZCLVLSEU-UHFFFAOYSA-N 1 0 288.435 3.448 40 0 CGABRO c1ccc(COCC[NH+]2Cc3ccccc3C2)cc1 ZINC000026806033 368865605 /nfs/dbraw/zinc/86/56/05/368865605.db2.gz SJFWTEJWSFCULF-UHFFFAOYSA-N 1 0 253.345 3.219 40 0 CGABRO [NH3+]CCc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000044236535 369257884 /nfs/dbraw/zinc/25/78/84/369257884.db2.gz SRAQMSPJVHGYHT-UHFFFAOYSA-N 1 0 257.177 3.225 40 0 CGABRO Cc1ccc(C)c(C(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000046882602 369298710 /nfs/dbraw/zinc/29/87/10/369298710.db2.gz RKKIJEIYFVRLTL-GJZGRUSLSA-N 1 0 288.435 3.011 40 0 CGABRO Cc1ccc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000047219121 369310487 /nfs/dbraw/zinc/31/04/87/369310487.db2.gz SZVYSTNFZQRGIP-ZDUSSCGKSA-N 1 0 263.381 3.062 40 0 CGABRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000082609200 370003094 /nfs/dbraw/zinc/00/30/94/370003094.db2.gz XDDNKGZIWXRLDZ-UHFFFAOYSA-N 1 0 278.396 3.033 40 0 CGABRO CC(C)COC1CC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096159307 370205232 /nfs/dbraw/zinc/20/52/32/370205232.db2.gz OVSRNZCRPGRLAS-UHFFFAOYSA-N 1 0 288.435 3.499 40 0 CGABRO CC(C)(C)OC(=O)N1CCC([NH3+])(c2ccccc2F)CC1 ZINC000098213838 370269527 /nfs/dbraw/zinc/26/95/27/370269527.db2.gz VPDHLEBSDRZKGH-UHFFFAOYSA-N 1 0 294.370 3.011 40 0 CGABRO CNc1cc(N2CCc3ccccc3C2)nc(C(C)C)[nH+]1 ZINC000163173764 372451201 /nfs/dbraw/zinc/45/12/01/372451201.db2.gz DCDAFJMPTUCYBL-UHFFFAOYSA-N 1 0 282.391 3.204 40 0 CGABRO CC(C)[N@@H+]1C[C@H](C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000169684029 372630707 /nfs/dbraw/zinc/63/07/07/372630707.db2.gz OCFLFQDQCLZABG-LZWOXQAQSA-N 1 0 275.392 3.351 40 0 CGABRO CCc1nc(C)c(C[N@@H+]2CCC[C@H](Cc3cccnc3)C2)[nH]1 ZINC000257235123 190017004 /nfs/dbraw/zinc/01/70/04/190017004.db2.gz GWODMVLEMCRDRM-MRXNPFEDSA-N 1 0 298.434 3.130 40 0 CGABRO CCOc1ccccc1C[N@@H+]1CC[C@H](c2nc(C)c[nH]2)C1 ZINC000257265321 190022833 /nfs/dbraw/zinc/02/28/33/190022833.db2.gz LYEVDSRERUVALA-HNNXBMFYSA-N 1 0 285.391 3.106 40 0 CGABRO Cc1ccc(Nc2nccc([C@@H]3CC[N@@H+](C(C)C)C3)n2)nc1 ZINC000257313180 190031693 /nfs/dbraw/zinc/03/16/93/190031693.db2.gz URHQFJLYFNKIKJ-CQSZACIVSA-N 1 0 297.406 3.121 40 0 CGABRO Cc1cc(-c2ccnn2C(C)C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000257318086 190032682 /nfs/dbraw/zinc/03/26/82/190032682.db2.gz VMLNPFPMNDVMBA-AWEZNQCLSA-N 1 0 299.422 3.039 40 0 CGABRO Cc1ccc(-c2ccc3nnc([C@@H]([NH3+])C(C)C)n3n2)cc1C ZINC000217564684 376176033 /nfs/dbraw/zinc/17/60/33/376176033.db2.gz KNYKFWICDNDELN-INIZCTEOSA-N 1 0 295.390 3.064 40 0 CGABRO CCCOc1cccc([C@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000225167251 376296374 /nfs/dbraw/zinc/29/63/74/376296374.db2.gz WXAFJFPTBGVTKM-XJKSGUPXSA-N 1 0 263.381 3.305 40 0 CGABRO Cc1nc(-c2cc[nH]n2)cc([C@@H]2CCCC[N@H+]2C(C)C)n1 ZINC000257247360 377796068 /nfs/dbraw/zinc/79/60/68/377796068.db2.gz IYQPBJBIEKAMLE-INIZCTEOSA-N 1 0 285.395 3.111 40 0 CGABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215998 285201010 /nfs/dbraw/zinc/20/10/10/285201010.db2.gz OJNFZTVRYPEEHO-OAHLLOKOSA-N 1 0 259.397 3.229 40 0 CGABRO CC[C@@H]([NH3+])c1ccc(OCc2ccccc2)nc1C ZINC000072224473 256703968 /nfs/dbraw/zinc/70/39/68/256703968.db2.gz MCQOFOBQLCEVTP-OAHLLOKOSA-N 1 0 256.349 3.379 40 0 CGABRO CSc1ncc(C[NH2+]C2CCCCCC2)cn1 ZINC000062717234 392133193 /nfs/dbraw/zinc/13/31/93/392133193.db2.gz LHTCXPOFQVPEPK-UHFFFAOYSA-N 1 0 251.399 3.011 40 0 CGABRO O=c1[nH]cccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072212295 392197635 /nfs/dbraw/zinc/19/76/35/392197635.db2.gz SUNLZQURLDMAFQ-OAHLLOKOSA-N 1 0 254.333 3.124 40 0 CGABRO Cc1cc(N2CCCC2)ncc1[C@@H]1CCCC[N@H+]1C ZINC000072218874 392200622 /nfs/dbraw/zinc/20/06/22/392200622.db2.gz ZJOZHUVRZCOQGC-HNNXBMFYSA-N 1 0 259.397 3.147 40 0 CGABRO Cc1nc(NC(C)C)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224055 392203038 /nfs/dbraw/zinc/20/30/38/392203038.db2.gz GCEVYSPBIHOVSA-MRXNPFEDSA-N 1 0 255.365 3.258 40 0 CGABRO Fc1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)cc1 ZINC000096255080 392246333 /nfs/dbraw/zinc/24/63/33/392246333.db2.gz WLJLEHNAQXHJSR-UHFFFAOYSA-N 1 0 297.377 3.094 40 0 CGABRO Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000096052542 392245134 /nfs/dbraw/zinc/24/51/34/392245134.db2.gz NRWJXGNYGHPWKS-UHFFFAOYSA-N 1 0 295.430 3.209 40 0 CGABRO c1sc2n3ccccc3c[n+]2c1-c1ccccc1 ZINC000001697777 285601075 /nfs/dbraw/zinc/60/10/75/285601075.db2.gz CQQGNDRZIOZASY-UHFFFAOYSA-N 1 0 251.334 3.407 40 0 CGABRO CCCCC[C@@H](C)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000004792400 170017905 /nfs/dbraw/zinc/01/79/05/170017905.db2.gz TZFIKPNSAKEHAV-NVXWUHKLSA-N 1 0 263.425 3.491 40 0 CGABRO COc1cc(NCCCC[C@H](C)[NH3+])c2nccc(C)c2c1 ZINC000005931485 170156956 /nfs/dbraw/zinc/15/69/56/170156956.db2.gz WFYBERHZPRRRJA-ZDUSSCGKSA-N 1 0 287.407 3.481 40 0 CGABRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1F ZINC000006363790 170195478 /nfs/dbraw/zinc/19/54/78/170195478.db2.gz BRYFDRYMLBBWKJ-CYBMUJFWSA-N 1 0 297.414 3.370 40 0 CGABRO COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OC ZINC000007538042 170290120 /nfs/dbraw/zinc/29/01/20/170290120.db2.gz IYZIRNFKLNPJDO-UHFFFAOYSA-N 1 0 271.360 3.302 40 0 CGABRO CC[NH2+]Cc1cc(Cl)c(OCC)c(OCC)c1 ZINC000008227166 170325919 /nfs/dbraw/zinc/32/59/19/170325919.db2.gz WCOHHLDHXFCPBJ-UHFFFAOYSA-N 1 0 257.761 3.247 40 0 CGABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCOC ZINC000008253421 170327224 /nfs/dbraw/zinc/32/72/24/170327224.db2.gz SXWXMRSFTRTWSB-UHFFFAOYSA-N 1 0 278.179 3.128 40 0 CGABRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)[C@@H](O)c1ccc(O)cc1 ZINC000008575811 170341407 /nfs/dbraw/zinc/34/14/07/170341407.db2.gz PTGXAUBQBSGPKF-QMTMVMCOSA-N 1 0 299.414 3.425 40 0 in-man CGABRO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3ccco3)c2c1 ZINC000022078630 171352674 /nfs/dbraw/zinc/35/26/74/171352674.db2.gz HWBHRZCRKAHHIZ-UHFFFAOYSA-N 1 0 284.359 3.410 40 0 CGABRO Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037530313 173252706 /nfs/dbraw/zinc/25/27/06/173252706.db2.gz GUZAMDMFRDCEJA-VBQJREDUSA-N 1 0 291.435 3.021 40 0 CGABRO Cc1ccc([C@H](C)CCN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000072324755 176369643 /nfs/dbraw/zinc/36/96/43/176369643.db2.gz WBHMAMYMGDAOEJ-FMKPAKJESA-N 1 0 276.424 3.250 40 0 CGABRO COc1ccc(Cc2cccc(C3CC[NH2+]CC3)n2)cc1 ZINC000072348400 176373147 /nfs/dbraw/zinc/37/31/47/176373147.db2.gz PUXARMACWOMQBX-UHFFFAOYSA-N 1 0 282.387 3.148 40 0 CGABRO CCC[NH+]1CCC(c2cncc(Oc3cccnc3)n2)CC1 ZINC000072361588 176377862 /nfs/dbraw/zinc/37/78/62/176377862.db2.gz XQOUGEOCRYQKRI-UHFFFAOYSA-N 1 0 298.390 3.253 40 0 CGABRO Cc1cccc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072363801 176378475 /nfs/dbraw/zinc/37/84/75/176378475.db2.gz HMYJASPSXLWXOF-MRXNPFEDSA-N 1 0 267.376 3.165 40 0 CGABRO COc1ccccc1-c1cc(CC[C@@H]2CCCC[NH2+]2)ncn1 ZINC000072365111 176380054 /nfs/dbraw/zinc/38/00/54/176380054.db2.gz WCZNLWIEBTWQEE-AWEZNQCLSA-N 1 0 297.402 3.227 40 0 CGABRO Cc1csc(Nc2cccc([C@H]3CCC[NH2+]3)n2)n1 ZINC000072376499 176385390 /nfs/dbraw/zinc/38/53/90/176385390.db2.gz JVRXFYXUITXVRU-SNVBAGLBSA-N 1 0 260.366 3.015 40 0 CGABRO Cc1ccc(Cc2ccnc(C3CC[NH2+]CC3)c2)cc1 ZINC000072386819 176391990 /nfs/dbraw/zinc/39/19/90/176391990.db2.gz YROSAXBUYDWTQI-UHFFFAOYSA-N 1 0 266.388 3.448 40 0 CGABRO COc1ccc(-c2ccnc(C3CC[NH2+]CC3)c2)cc1 ZINC000072386814 176392022 /nfs/dbraw/zinc/39/20/22/176392022.db2.gz LCANRKQPQRIUSK-UHFFFAOYSA-N 1 0 268.360 3.224 40 0 CGABRO CC(C)[NH2+][C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000242687258 261267652 /nfs/dbraw/zinc/26/76/52/261267652.db2.gz UCBZLXRRPOSCJK-WKILWMFISA-N 1 0 290.407 3.222 40 0 CGABRO C[C@H]1CCC[C@H](C)[NH+]1CCOc1ccc(C=O)cc1 ZINC000217788427 262344427 /nfs/dbraw/zinc/34/44/27/262344427.db2.gz SBNDMMYUZXEZDP-KBPBESRZSA-N 1 0 261.365 3.141 40 0 CGABRO CSc1nc2cc(Cl)ccc2c2c1C=[NH+]CCN2 ZINC000001567132 274189447 /nfs/dbraw/zinc/18/94/47/274189447.db2.gz YYESKUBJYNVBHN-UHFFFAOYSA-N 1 0 277.780 3.455 40 0 CGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000043323663 277186545 /nfs/dbraw/zinc/18/65/45/277186545.db2.gz ZXCOFYZBOCNPPS-AWEZNQCLSA-N 1 0 282.428 3.308 40 0 CGABRO CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072214391 277205051 /nfs/dbraw/zinc/20/50/51/277205051.db2.gz YQSRSSHVZQTPSI-GFCCVEGCSA-N 1 0 277.368 3.243 40 0 CGABRO Cc1ccc2[nH]c([C@H]3CC[N@@H+](CC(C)C)C3)nc2c1 ZINC000035446557 281162647 /nfs/dbraw/zinc/16/26/47/281162647.db2.gz YEEBUUVXUCYPQM-ZDUSSCGKSA-N 1 0 257.381 3.317 40 0 biogenic,in-vitro CGABRO [NH3+]C[C@@H](c1ccc(Cl)cc1Cl)N1CCCC1 ZINC000019861938 303393903 /nfs/dbraw/zinc/39/39/03/303393903.db2.gz KNRSNTYTNXSTCC-LBPRGKRZSA-N 1 0 259.180 3.089 40 0 CGABRO Cc1ccc(CN2CCC3(CCCC[N@H+]3C)CC2)o1 ZINC000096051195 185074927 /nfs/dbraw/zinc/07/49/27/185074927.db2.gz HSZVJMCNXAKYRO-UHFFFAOYSA-N 1 0 262.397 3.038 40 0 CGABRO O=C1CCC2(CC[NH+](Cc3ccccc3)CC2)N1CC1CC1 ZINC000096075410 185090082 /nfs/dbraw/zinc/09/00/82/185090082.db2.gz WPCCKSWSUVXEHY-UHFFFAOYSA-N 1 0 298.430 3.054 40 0 CGABRO CCCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000005509272 344862375 /nfs/dbraw/zinc/86/23/75/344862375.db2.gz PQAWTKDGLUPFGC-NVXWUHKLSA-N 1 0 291.435 3.253 40 0 CGABRO O=C(/C=C/c1ccccc1)NCCC[NH+]1CCCCCC1 ZINC000010111084 344875986 /nfs/dbraw/zinc/87/59/86/344875986.db2.gz QWCJNDXWRPEWNG-VAWYXSNFSA-N 1 0 286.419 3.082 40 0 CGABRO C[C@]12CCN(CCc3ccccc3)[C@H]1CCCCC[NH2+]2 ZINC000019713418 344890810 /nfs/dbraw/zinc/89/08/10/344890810.db2.gz FUNSLVDUTBVVMU-ROUUACIJSA-N 1 0 272.436 3.226 40 0 CGABRO CC1(C)[C@H](OC[C@@H](O)C[NH+]2CCCCC2)[C@]2(C)CC[C@H]1C2 ZINC000253479024 346394347 /nfs/dbraw/zinc/39/43/47/346394347.db2.gz OHDMBSYWCBGUMT-NBOOPKSLSA-N 1 0 295.467 3.065 40 0 CGABRO CCC(CC)C[N@@H+]1CCC[C@@]2(CN([C@H](C)CC)C2=O)C1 ZINC000585099345 346724548 /nfs/dbraw/zinc/72/45/48/346724548.db2.gz GVYAVJMIJQXTLN-PBHICJAKSA-N 1 0 280.456 3.146 40 0 CGABRO CCC(CC)C[N@@H+]1CCC[C@]2(CN([C@H](C)CC)C2=O)C1 ZINC000585099346 346724612 /nfs/dbraw/zinc/72/46/12/346724612.db2.gz GVYAVJMIJQXTLN-RHSMWYFYSA-N 1 0 280.456 3.146 40 0 CGABRO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+](C)C3)n2)s1 ZINC000585262533 346725736 /nfs/dbraw/zinc/72/57/36/346725736.db2.gz DHONIPVBMFPLAY-GFCCVEGCSA-N 1 0 288.420 3.399 40 0 CGABRO CC(C)n1nccc1-c1cnc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000585180180 346725998 /nfs/dbraw/zinc/72/59/98/346725998.db2.gz SOLPRGJDLXJAAN-INIZCTEOSA-N 1 0 299.422 3.466 40 0 CGABRO CC(C)CCN1c2ccc(SCC[NH3+])cc2CCC1=O ZINC000218812534 376190336 /nfs/dbraw/zinc/19/03/36/376190336.db2.gz VBKHXKPORQRIRL-UHFFFAOYSA-N 1 0 292.448 3.063 40 0 CGABRO C[NH+](C)C[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001670708 368428391 /nfs/dbraw/zinc/42/83/91/368428391.db2.gz XEUOPBITPYQCMJ-SJORKVTESA-N 1 0 255.361 3.065 40 0 CGABRO CC(C)(C[NH2+]C1CCCC1)OC(=O)c1ccccc1 ZINC000001710474 368434374 /nfs/dbraw/zinc/43/43/74/368434374.db2.gz HSAXFXOHWNCDQS-UHFFFAOYSA-N 1 0 261.365 3.154 40 0 CGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(C)c1 ZINC000010543035 368583445 /nfs/dbraw/zinc/58/34/45/368583445.db2.gz OIJPHUOPOGLMLX-KRWDZBQOSA-N 1 0 288.435 3.379 40 0 CGABRO Cc1ccc(C[NH2+]Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000013566536 368657742 /nfs/dbraw/zinc/65/77/42/368657742.db2.gz ATPBZUPJZPCLNS-UHFFFAOYSA-N 1 0 292.382 3.435 40 0 CGABRO CCN(CC)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000019806661 368766749 /nfs/dbraw/zinc/76/67/49/368766749.db2.gz SJZYAVUOKJBZJA-LLVKDONJSA-N 1 0 261.196 3.335 40 0 CGABRO Cc1nc([C@@H]2CCC[N@H+](CC3CC3)C2)c2ccccn12 ZINC000019240660 368745435 /nfs/dbraw/zinc/74/54/35/368745435.db2.gz WAAFCTXTENMGPJ-OAHLLOKOSA-N 1 0 269.392 3.232 40 0 CGABRO Clc1ccc([C@@H]2NCC[NH2+]Cc3ccccc32)cc1 ZINC000019364669 368750098 /nfs/dbraw/zinc/75/00/98/368750098.db2.gz BIRFBGKBJMZZJI-INIZCTEOSA-N 1 0 272.779 3.122 40 0 CGABRO c1csc([C@@H](Cc2ccsc2)[NH2+]C[C@H]2CCOC2)n1 ZINC000019406510 368751249 /nfs/dbraw/zinc/75/12/49/368751249.db2.gz DIWKJUZOBCAGTH-CHWSQXEVSA-N 1 0 294.445 3.115 40 0 CGABRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220998 368881904 /nfs/dbraw/zinc/88/19/04/368881904.db2.gz KAPXOOSXFBFSKB-AWEZNQCLSA-N 1 0 294.826 3.078 40 0 CGABRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)C(=O)OC(C)(C)C ZINC000047219139 369310087 /nfs/dbraw/zinc/31/00/87/369310087.db2.gz DNMOOCDFBZEBIM-YNEHKIRRSA-N 1 0 255.402 3.133 40 0 CGABRO c1cc(-c2nnc([C@H]3CC[N@@H+](C4CCCCC4)C3)o2)ccn1 ZINC000049169565 369390870 /nfs/dbraw/zinc/39/08/70/369390870.db2.gz OIJFKJVRAIZEIO-AWEZNQCLSA-N 1 0 298.390 3.254 40 0 biogenic,in-vitro CGABRO Cc1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4n3C)C2)o1 ZINC000049171186 369391003 /nfs/dbraw/zinc/39/10/03/369391003.db2.gz CBKIFONPAPGPPV-AWEZNQCLSA-N 1 0 295.386 3.464 40 0 biogenic,in-vitro CGABRO CCCc1nnc([C@H]2CC[N@H+](Cc3cccs3)C2)o1 ZINC000049170338 369391200 /nfs/dbraw/zinc/39/12/00/369391200.db2.gz ZOQXORHOMRHEBI-NSHDSACASA-N 1 0 277.393 3.073 40 0 biogenic,in-vitro CGABRO C[NH2+][C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000053201536 369480644 /nfs/dbraw/zinc/48/06/44/369480644.db2.gz MYTKOBWPJLRDQX-LBPRGKRZSA-N 1 0 273.207 3.177 40 0 CGABRO C[NH2+][C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000053201535 369480913 /nfs/dbraw/zinc/48/09/13/369480913.db2.gz MYTKOBWPJLRDQX-GFCCVEGCSA-N 1 0 273.207 3.177 40 0 CGABRO CC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000066346900 369692325 /nfs/dbraw/zinc/69/23/25/369692325.db2.gz ZKLFJQPUTPGIOF-LLVKDONJSA-N 1 0 254.171 3.258 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215922 369816012 /nfs/dbraw/zinc/81/60/12/369816012.db2.gz RDOGQRAKOBWOFL-HNNXBMFYSA-N 1 0 259.397 3.227 40 0 CGABRO Cc1nn(C)c(C)c1-c1cccc2c1C[C@@H]([NH+](C)C)CC2 ZINC000072266928 369816792 /nfs/dbraw/zinc/81/67/92/369816792.db2.gz XFKVKEINCQPOHM-HNNXBMFYSA-N 1 0 283.419 3.123 40 0 CGABRO Cc1cnc2[nH]c(C(C)C)c(C[N@@H+]3CCCOCC3)c2c1 ZINC000072395261 369817325 /nfs/dbraw/zinc/81/73/25/369817325.db2.gz XQXOHBVTHVKMQE-UHFFFAOYSA-N 1 0 287.407 3.217 40 0 CGABRO NC(=[NH2+])COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000070121437 369781077 /nfs/dbraw/zinc/78/10/77/369781077.db2.gz FUUVLCHJSOOGDK-UHFFFAOYSA-N 1 0 286.175 3.039 40 0 CGABRO COc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1Cl ZINC000074921011 369891390 /nfs/dbraw/zinc/89/13/90/369891390.db2.gz LVADZDLCBLBDFJ-UHFFFAOYSA-N 1 0 296.798 3.019 40 0 CGABRO CCCCOc1c(C)cc(-c2noc(CC[NH3+])n2)cc1C ZINC000095095363 370175363 /nfs/dbraw/zinc/17/53/63/370175363.db2.gz HOIOJWRJAUQIBN-UHFFFAOYSA-N 1 0 289.379 3.034 40 0 CGABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccs1)CC2 ZINC000096217677 370208942 /nfs/dbraw/zinc/20/89/42/370208942.db2.gz TULDFJMRTSVMJD-INIZCTEOSA-N 1 0 292.448 3.115 40 0 CGABRO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccccn2)on1 ZINC000019120323 541854390 /nfs/dbraw/zinc/85/43/90/541854390.db2.gz RFCIHAHTBRKURH-OAHLLOKOSA-N 1 0 271.364 3.495 40 0 CGABRO COc1ccc(C[NH2+]Cc2cnn(C3CCCC3)c2)cc1 ZINC000256052823 190004449 /nfs/dbraw/zinc/00/44/49/190004449.db2.gz OUZOFENBUGSBTJ-UHFFFAOYSA-N 1 0 285.391 3.297 40 0 CGABRO c1ccc(C[C@H]2CC[C@@H]3C[N@H+](Cc4cccnc4)C[C@H]23)nc1 ZINC000257233431 190016601 /nfs/dbraw/zinc/01/66/01/190016601.db2.gz GPFMRAWNNRCVCW-ZHALLVOQSA-N 1 0 293.414 3.177 40 0 CGABRO c1ncc(C[N@H+]2CCC[C@@H]2CCc2ccncc2)s1 ZINC000257233851 190017265 /nfs/dbraw/zinc/01/72/65/190017265.db2.gz GQZOXPKDKJUNFF-CQSZACIVSA-N 1 0 273.405 3.135 40 0 CGABRO Cc1ccc(C[N@@H+]2CC[C@@H](c3nccc(C)n3)C2)cc1 ZINC000257220372 190014660 /nfs/dbraw/zinc/01/46/60/190014660.db2.gz DKOOUKUHNKFZFZ-MRXNPFEDSA-N 1 0 267.376 3.083 40 0 CGABRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000257242330 190018841 /nfs/dbraw/zinc/01/88/41/190018841.db2.gz IBYGNWQTSZCXBH-INIZCTEOSA-N 1 0 292.386 3.256 40 0 CGABRO CC(C)n1nccc1-c1cc(CC2CC[NH+](C)CC2)ccn1 ZINC000257250263 190020267 /nfs/dbraw/zinc/02/02/67/190020267.db2.gz JLUKIILWGUAIQC-UHFFFAOYSA-N 1 0 298.434 3.410 40 0 CGABRO COc1ccccc1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000257318162 190032660 /nfs/dbraw/zinc/03/26/60/190032660.db2.gz VMSWCVFCLDGABF-ZDUSSCGKSA-N 1 0 288.416 3.216 40 0 CGABRO C[C@]12C[C@@H](c3cccc(F)c3)[NH2+][C@H]1CCCCC2=O ZINC000212418367 376137690 /nfs/dbraw/zinc/13/76/90/376137690.db2.gz LBUBEQIDBGCOCI-DZKIICNBSA-N 1 0 261.340 3.378 40 0 CGABRO COCC[NH2+]Cc1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000223677866 376258241 /nfs/dbraw/zinc/25/82/41/376258241.db2.gz XQOMGKCDINYGMN-OAHLLOKOSA-N 1 0 286.419 3.450 40 0 CGABRO CC[C@@H](C)n1c(C)cc(C[NH2+]CCCOC)c1C ZINC000223676362 376258352 /nfs/dbraw/zinc/25/83/52/376258352.db2.gz HVUJVASQEJTISL-GFCCVEGCSA-N 1 0 252.402 3.202 40 0 CGABRO Fc1ccc(-c2nccnc2C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000257279344 377796605 /nfs/dbraw/zinc/79/66/05/377796605.db2.gz OGEFRGTVVXORNU-CYBMUJFWSA-N 1 0 285.366 3.215 40 0 CGABRO O=C1c2ccccc2CCC[C@H]1[C@@H]1CCCCC[NH2+]1 ZINC000019375293 285024432 /nfs/dbraw/zinc/02/44/32/285024432.db2.gz FAHJUQKHFKDJIS-HOTGVXAUSA-N 1 0 257.377 3.354 40 0 CGABRO Cc1cc([C@H](C)[NH3+])cnc1N(C)Cc1ccccc1 ZINC000072222363 256706046 /nfs/dbraw/zinc/70/60/46/256706046.db2.gz ZKKDJKPAXQBSBD-ZDUSSCGKSA-N 1 0 255.365 3.046 40 0 CGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(C)CC)nc1 ZINC000072212721 256714049 /nfs/dbraw/zinc/71/40/49/256714049.db2.gz FESCBUXSPGKIQA-OAHLLOKOSA-N 1 0 261.413 3.475 40 0 CGABRO CSc1ncc(C[NH2+]CCc2ccc(Cl)cc2)cn1 ZINC000062717251 256721684 /nfs/dbraw/zinc/72/16/84/256721684.db2.gz MNOHSELKZMVVFN-UHFFFAOYSA-N 1 0 293.823 3.184 40 0 CGABRO [NH3+]C1(CN2CC[C@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000036810202 391977052 /nfs/dbraw/zinc/97/70/52/391977052.db2.gz ZOFPTYINVTXSPG-HUUCEWRRSA-N 1 0 250.430 3.160 40 0 CGABRO CC(C)C[N@@H+]1CC[C@H](c2nc3cc(F)ccc3[nH]2)C1 ZINC000049169012 392037737 /nfs/dbraw/zinc/03/77/37/392037737.db2.gz JQSCJDIOWXMCNW-NSHDSACASA-N 1 0 261.344 3.147 40 0 biogenic,in-vitro CGABRO CCN(C)c1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072212720 392198440 /nfs/dbraw/zinc/19/84/40/392198440.db2.gz ANWWBWWRLUAXCM-OAHLLOKOSA-N 1 0 261.413 3.331 40 0 CGABRO CC[C@@H]([NH3+])c1cnc(OCc2ccccc2)c(C)c1 ZINC000072222392 392201607 /nfs/dbraw/zinc/20/16/07/392201607.db2.gz QZEJENIBFVUXNQ-OAHLLOKOSA-N 1 0 256.349 3.379 40 0 CGABRO C[C@@H]([NH3+])c1ccc(N2CCCc3ccccc32)nc1 ZINC000072225792 392204084 /nfs/dbraw/zinc/20/40/84/392204084.db2.gz SKOJPUUPZJSEIX-GFCCVEGCSA-N 1 0 253.349 3.186 40 0 CGABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1ccc(Cl)cc1 ZINC000073642233 392213273 /nfs/dbraw/zinc/21/32/73/392213273.db2.gz XHRCRLBTBAOXQD-UHFFFAOYSA-N 1 0 299.761 3.002 40 0 CGABRO Cc1ccc(C(C)C)c(OC[C@H](O)C[N@H+]2CC=CCC2)c1 ZINC000006522337 397603327 /nfs/dbraw/zinc/60/33/27/397603327.db2.gz DOMNTPJHPATAFO-MRXNPFEDSA-N 1 0 289.419 3.120 40 0 CGABRO Cc1cccc2cc(C[NH2+]C[C@H]3CCCO3)c(Cl)nc12 ZINC000004890456 170036244 /nfs/dbraw/zinc/03/62/44/170036244.db2.gz FDGBKQZAMYTEPR-CQSZACIVSA-N 1 0 290.794 3.465 40 0 CGABRO COc1cc2c(cc1OC)[C@H]([NH2+]C(C)C)CCCC2 ZINC000004963788 170045950 /nfs/dbraw/zinc/04/59/50/170045950.db2.gz SDVHGODVJOLSFK-CQSZACIVSA-N 1 0 263.381 3.469 40 0 CGABRO CC[N@H+](C[C@H](O)COc1ccccc1F)C1CCCCC1 ZINC000006438586 170201482 /nfs/dbraw/zinc/20/14/82/170201482.db2.gz YQXPOVUFLYDKQQ-HNNXBMFYSA-N 1 0 295.398 3.220 40 0 CGABRO COc1ccc(CC[C@H]([NH3+])c2ccccc2)cc1OC ZINC000006484646 170205289 /nfs/dbraw/zinc/20/52/89/170205289.db2.gz ATAKISXCNDAYCV-HNNXBMFYSA-N 1 0 271.360 3.336 40 0 CGABRO COc1ccc2c(/C=C/c3cc[n+](C)cc3)c[nH]c2c1 ZINC000006759884 170241671 /nfs/dbraw/zinc/24/16/71/170241671.db2.gz DSYYFEGPVKENMU-UHFFFAOYSA-O 1 0 265.336 3.171 40 0 CGABRO COc1cccc(C=O)c1OCCC[N@@H+]1CCCC[C@@H]1C ZINC000008731558 170351013 /nfs/dbraw/zinc/35/10/13/170351013.db2.gz YKTBDIHSLXXFHL-AWEZNQCLSA-N 1 0 291.391 3.151 40 0 CGABRO C[C@H](C[N@H+](CCO)Cc1cccs1)c1ccccc1 ZINC000013997443 170615295 /nfs/dbraw/zinc/61/52/95/170615295.db2.gz RMKWJADYBVERGF-CQSZACIVSA-N 1 0 275.417 3.346 40 0 CGABRO CN(C)CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000022076166 171352265 /nfs/dbraw/zinc/35/22/65/171352265.db2.gz YVAREEPJLGMADI-UHFFFAOYSA-N 1 0 254.377 3.005 40 0 CGABRO Cc1ccc(C)c([C@@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000022126750 171354327 /nfs/dbraw/zinc/35/43/27/171354327.db2.gz KFFYFKUUFSRPDS-LJQANCHMSA-N 1 0 280.415 3.298 40 0 CGABRO C[C@H]1CCCC[N@@H+]1Cc1ccc(N)cc1Br ZINC000037460438 173223834 /nfs/dbraw/zinc/22/38/34/173223834.db2.gz RPLBNZCOMMZAMU-JTQLQIEISA-N 1 0 283.213 3.406 40 0 CGABRO Clc1ncc(Br)c(Nc2cc[nH+]cc2)n1 ZINC000039957259 174179955 /nfs/dbraw/zinc/17/99/55/174179955.db2.gz CMBKBWQYAFPXPK-UHFFFAOYSA-N 1 0 285.532 3.031 40 0 CGABRO c1ccc2c(c1)cccc2-c1noc(C2CC[NH2+]CC2)n1 ZINC000054438385 175560215 /nfs/dbraw/zinc/56/02/15/175560215.db2.gz WGDBPUOIYLGOIQ-UHFFFAOYSA-N 1 0 279.343 3.357 40 0 CGABRO FC(F)(F)c1cc(CN2CCC[NH2+]CC2)ccc1Cl ZINC000067796703 175792086 /nfs/dbraw/zinc/79/20/86/175792086.db2.gz WHTONSMIYGWKEO-UHFFFAOYSA-N 1 0 292.732 3.154 40 0 CGABRO COc1cccc(Cc2cccc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000072348402 176373053 /nfs/dbraw/zinc/37/30/53/176373053.db2.gz ZFPFKBJHQAPYLE-OAHLLOKOSA-N 1 0 282.387 3.148 40 0 CGABRO c1ccc(Cc2cccc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000072348395 176373072 /nfs/dbraw/zinc/37/30/72/176373072.db2.gz MWMDANBOGDCUKC-OAHLLOKOSA-N 1 0 252.361 3.139 40 0 CGABRO COc1ccc(Cc2cccc(C3CC[NH+](C)CC3)n2)cc1 ZINC000072348577 176373670 /nfs/dbraw/zinc/37/36/70/176373670.db2.gz ZXTKWBKRWWLEIV-UHFFFAOYSA-N 1 0 296.414 3.490 40 0 CGABRO COc1ccc(-c2cc(C)nc([C@@H]3CCC[N@H+](C)C3)n2)cc1 ZINC000072360688 176376642 /nfs/dbraw/zinc/37/66/42/176376642.db2.gz YVGKLLGSTHRTOV-OAHLLOKOSA-N 1 0 297.402 3.270 40 0 CGABRO c1cc2cc(C[N@@H+]3CCC[C@H](c4cnccn4)C3)ccc2[nH]1 ZINC000072364592 176379750 /nfs/dbraw/zinc/37/97/50/176379750.db2.gz GNKPJUXWPDXGKJ-INIZCTEOSA-N 1 0 292.386 3.338 40 0 CGABRO Cc1cc(C2CC[NH+](Cc3ccncc3)CC2)ccn1 ZINC000072367928 176382172 /nfs/dbraw/zinc/38/21/72/176382172.db2.gz OTLPFJYMYYDTDU-UHFFFAOYSA-N 1 0 267.376 3.165 40 0 CGABRO COCCC[NH2+][C@@H](C)c1ccn(Cc2ccccc2)c1 ZINC000078406230 177338631 /nfs/dbraw/zinc/33/86/31/177338631.db2.gz OZHORBMEOXMTKI-HNNXBMFYSA-N 1 0 272.392 3.224 40 0 CGABRO CC(C)Nc1ncc(C[NH2+]CCC2=CCCCC2)cn1 ZINC000062717646 262302495 /nfs/dbraw/zinc/30/24/95/262302495.db2.gz DOKLYNNAOBSTNO-UHFFFAOYSA-N 1 0 274.412 3.277 40 0 CGABRO Cc1ccc(N2CN(c3ccc(C)cc3)CC(C)([NH3+])C2)cc1 ZINC000001698723 274749874 /nfs/dbraw/zinc/74/98/74/274749874.db2.gz LUXGSHDLNVALHF-UHFFFAOYSA-N 1 0 295.430 3.305 40 0 CGABRO [NH3+]CCSc1cc(C(F)(F)F)nc2c(F)cccc12 ZINC000002525208 274946222 /nfs/dbraw/zinc/94/62/22/274946222.db2.gz ORBZAAFUCWIVQM-UHFFFAOYSA-N 1 0 290.285 3.444 40 0 CGABRO CC(C)(C)OC(=O)N[C@H]1C[C@H](CC[NH3+])c2ccccc21 ZINC000002511738 277204503 /nfs/dbraw/zinc/20/45/03/277204503.db2.gz SHVKRMBNOZXRGQ-FZMZJTMJSA-N 1 0 276.380 3.089 40 0 CGABRO CC(C)c1cccc2cc3c(nc21)O[C@@H](C)C[NH2+]C3 ZINC000072392280 278058197 /nfs/dbraw/zinc/05/81/97/278058197.db2.gz PYZPRPQNPQJWPP-NSHDSACASA-N 1 0 256.349 3.229 40 0 CGABRO CC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)[C@H]2CCCC[C@@H]21 ZINC000005008140 278222550 /nfs/dbraw/zinc/22/25/50/278222550.db2.gz TYRBZUUHADCCGQ-BZSNNMDCSA-N 1 0 287.403 3.339 40 0 CGABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1C ZINC000072218911 279315519 /nfs/dbraw/zinc/31/55/19/279315519.db2.gz LPYWEABHKCGWAF-OAHLLOKOSA-N 1 0 259.397 3.147 40 0 CGABRO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H](C)c1ccc(F)cc1 ZINC000079418787 280271473 /nfs/dbraw/zinc/27/14/73/280271473.db2.gz VRXDSLZUPNNUIR-WFASDCNBSA-N 1 0 280.387 3.107 40 0 CGABRO CC[C@H](CO)[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000001666321 280845096 /nfs/dbraw/zinc/84/50/96/280845096.db2.gz PUWDOUUZCPMKIU-IEBWSBKVSA-N 1 0 299.414 3.340 40 0 CGABRO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000037530294 301227507 /nfs/dbraw/zinc/22/75/07/301227507.db2.gz JGRVELMYSIWKMD-BBWFWOEESA-N 1 0 291.435 3.021 40 0 CGABRO C[C@H]1CCC[C@H](C)[NH+]1CCOc1cccc(C=O)c1 ZINC000217788729 230396808 /nfs/dbraw/zinc/39/68/08/230396808.db2.gz ONBWXIDWHYEVNX-KBPBESRZSA-N 1 0 261.365 3.141 40 0 CGABRO O=C1C[C@@]2(CN1c1ccccc1)CCCC[N@@H+]2CC1CC1 ZINC000096071666 185087092 /nfs/dbraw/zinc/08/70/92/185087092.db2.gz WZKGQZLELYSGBW-GOSISDBHSA-N 1 0 284.403 3.058 40 0 CGABRO CNc1cc(N2Cc3ccccc3C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000329013508 136377088 /nfs/dbraw/zinc/37/70/88/136377088.db2.gz MQDHNZPOPJWPST-GFCCVEGCSA-N 1 0 294.402 3.347 40 0 CGABRO Cc1ncsc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788929 345858921 /nfs/dbraw/zinc/85/89/21/345858921.db2.gz GMBYRMQRHBPQFT-NSHDSACASA-N 1 0 279.434 3.288 40 0 CGABRO C[C@H]1CCCN([C@H](C[NH3+])c2ccccc2C(F)(F)F)C1 ZINC000108349984 345937681 /nfs/dbraw/zinc/93/76/81/345937681.db2.gz QXBLZPZKYKSHMT-SMDDNHRTSA-N 1 0 286.341 3.437 40 0 CGABRO CC(C)n1nccc1-c1cnc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000585180181 346725895 /nfs/dbraw/zinc/72/58/95/346725895.db2.gz SOLPRGJDLXJAAN-MRXNPFEDSA-N 1 0 299.422 3.466 40 0 CGABRO CCCN(CC[NH+]1CCCCC1)c1cc(C)ccn1 ZINC000001602383 368423556 /nfs/dbraw/zinc/42/35/56/368423556.db2.gz OHMRBDAEJLSXEC-UHFFFAOYSA-N 1 0 261.413 3.092 40 0 CGABRO C[NH+](C)[C@H]1CCc2ccccc2[C@H]1OC(=O)c1ccccc1 ZINC000001869857 368440073 /nfs/dbraw/zinc/44/00/73/368440073.db2.gz LBQGJHNNGUZLOH-ZWKOTPCHSA-N 1 0 295.382 3.461 40 0 CGABRO CC(C)[C@@H]1C[C@H](O)[C@@H](C)[C@@H](C[NH+]2CCCCC2)C1 ZINC000004726947 368557083 /nfs/dbraw/zinc/55/70/83/368557083.db2.gz HHGGWQPKVIPABL-JONQDZQNSA-N 1 0 253.430 3.152 40 0 CGABRO c1ccc2c(c1)cccc2-c1noc2c1C[NH2+]CC2 ZINC000019200229 368745815 /nfs/dbraw/zinc/74/58/15/368745815.db2.gz CSMSPXQJAMFCDS-UHFFFAOYSA-N 1 0 250.301 3.141 40 0 CGABRO CCN(CC)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000019262324 368746226 /nfs/dbraw/zinc/74/62/26/368746226.db2.gz AMLOLOJKDZELSU-LBPRGKRZSA-N 1 0 261.196 3.335 40 0 CGABRO c1c2cccnc2[nH]c1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019346925 368748416 /nfs/dbraw/zinc/74/84/16/368748416.db2.gz CRYNNRGKLFWLID-INIZCTEOSA-N 1 0 292.386 3.338 40 0 CGABRO Fc1cccc(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000019293863 368748545 /nfs/dbraw/zinc/74/85/45/368748545.db2.gz QHYFKHXCSPBMPG-LESCRADOSA-N 1 0 288.410 3.132 40 0 CGABRO C[C@@H](CN(CC[NH+](C)C)Cc1ccncc1)c1ccccc1 ZINC000019455993 368753426 /nfs/dbraw/zinc/75/34/26/368753426.db2.gz VLMVAJJDFXPVMX-KRWDZBQOSA-N 1 0 297.446 3.249 40 0 CGABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019462619 368754862 /nfs/dbraw/zinc/75/48/62/368754862.db2.gz OLCQIXXLUAVANR-KBPBESRZSA-N 1 0 282.391 3.017 40 0 CGABRO CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000019963776 368790367 /nfs/dbraw/zinc/79/03/67/368790367.db2.gz ZCGNYRHJIHICCJ-CZUORRHYSA-N 1 0 263.381 3.305 40 0 CGABRO COCC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000020085576 368798047 /nfs/dbraw/zinc/79/80/47/368798047.db2.gz JKEQZKZJNOQGLM-ZDUSSCGKSA-N 1 0 251.370 3.018 40 0 CGABRO [NH3+]Cc1csc(-c2ccccc2Br)n1 ZINC000042289033 369210663 /nfs/dbraw/zinc/21/06/63/369210663.db2.gz ZZZQAZNPNXHCJN-UHFFFAOYSA-N 1 0 269.167 3.031 40 0 CGABRO Cc1ccc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000047219120 369309984 /nfs/dbraw/zinc/30/99/84/369309984.db2.gz SZVYSTNFZQRGIP-CYBMUJFWSA-N 1 0 263.381 3.062 40 0 CGABRO NNc1cc(-c2nc(-c3ccccc3)cs2)cc[nH+]1 ZINC000089263543 370040255 /nfs/dbraw/zinc/04/02/55/370040255.db2.gz WFDQFLPJJQBNEQ-UHFFFAOYSA-N 1 0 268.345 3.158 40 0 CGABRO c1cc(-c2ncnc3c2CC[N@H+](CC2CC2)CC3)cs1 ZINC000096255348 370209360 /nfs/dbraw/zinc/20/93/60/370209360.db2.gz FBUYUOWLTFAZJI-UHFFFAOYSA-N 1 0 285.416 3.016 40 0 CGABRO Cc1ccc(C[N@H+]2CCC[C@@]3(CCCC(=O)N3C)C2)s1 ZINC000096049962 370202697 /nfs/dbraw/zinc/20/26/97/370202697.db2.gz SCZRIBLMIQJVFJ-INIZCTEOSA-N 1 0 292.448 3.033 40 0 CGABRO CC1(c2cc[nH]n2)CC[NH+](Cc2cccs2)CC1 ZINC000257252116 190020069 /nfs/dbraw/zinc/02/00/69/190020069.db2.gz JTPUEMLBVBJRRX-UHFFFAOYSA-N 1 0 261.394 3.025 40 0 CGABRO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)n1 ZINC000257266613 190022823 /nfs/dbraw/zinc/02/28/23/190022823.db2.gz MDSGOVNPTILQDC-CYBMUJFWSA-N 1 0 291.345 3.376 40 0 CGABRO Cc1csc(Nc2cccc(C3CC[NH2+]CC3)n2)n1 ZINC000257284934 190026788 /nfs/dbraw/zinc/02/67/88/190026788.db2.gz PEYBRGGBDRSQIF-UHFFFAOYSA-N 1 0 274.393 3.057 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H]1c1ccnc(-c2cc[nH]n2)c1 ZINC000257292664 190027665 /nfs/dbraw/zinc/02/76/65/190027665.db2.gz QMMSZELOZYATCY-HNNXBMFYSA-N 1 0 256.353 3.017 40 0 CGABRO CCn1nccc1-c1cccc(C[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000257296080 190028716 /nfs/dbraw/zinc/02/87/16/190028716.db2.gz RBDVDGPLQWLKTL-HNNXBMFYSA-N 1 0 298.434 3.238 40 0 CGABRO Cc1cccnc1Nc1cccc(CC2CC[NH2+]CC2)n1 ZINC000257328666 190034983 /nfs/dbraw/zinc/03/49/83/190034983.db2.gz XGQHYXJFZCGZBZ-UHFFFAOYSA-N 1 0 282.391 3.071 40 0 CGABRO Cc1cc(C)c(C(=O)NCCC[NH+]2CCCCC2)cc1C ZINC000225645094 376319724 /nfs/dbraw/zinc/31/97/24/376319724.db2.gz GZCLGSWVBUJJFT-UHFFFAOYSA-N 1 0 288.435 3.218 40 0 CGABRO CCCc1ccc(C[NH2+]Cc2ccc(OC)cc2)[nH]1 ZINC000226020611 376338524 /nfs/dbraw/zinc/33/85/24/376338524.db2.gz NOLZFNOUSPPQEV-UHFFFAOYSA-N 1 0 258.365 3.266 40 0 CGABRO CCCOc1ccccc1[C@H](C)[NH2+]CCCOC ZINC000225161216 376297445 /nfs/dbraw/zinc/29/74/45/376297445.db2.gz SHPWNBMXOQVBOD-ZDUSSCGKSA-N 1 0 251.370 3.163 40 0 CGABRO Cc1ccc(-c2cc(C3(C[NH3+])CCC3)no2)cc1C ZINC000072220669 256706789 /nfs/dbraw/zinc/70/67/89/256706789.db2.gz JDWKZWOICDLAOX-UHFFFAOYSA-N 1 0 256.349 3.339 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215921 256711476 /nfs/dbraw/zinc/71/14/76/256711476.db2.gz RDOGQRAKOBWOFL-OAHLLOKOSA-N 1 0 259.397 3.227 40 0 CGABRO CCC(=O)OC1(c2ccccc2)[C@H](C)C[NH+](C)C[C@H]1C ZINC000004712835 391921375 /nfs/dbraw/zinc/92/13/75/391921375.db2.gz BNLWVZWKDILPMJ-ZIAGYGMSSA-N 1 0 275.392 3.053 40 0 CGABRO CC[C@@H]([NH3+])c1cnc(N2CCc3ccccc32)c(C)c1 ZINC000072222908 392203143 /nfs/dbraw/zinc/20/31/43/392203143.db2.gz PKLWQYUBVHKMQA-OAHLLOKOSA-N 1 0 267.376 3.494 40 0 CGABRO C[NH2+]Cc1ccc(N2CCCc3ccccc32)nc1C ZINC000072224971 392204614 /nfs/dbraw/zinc/20/46/14/392204614.db2.gz UGJOMNFXYZHUQK-UHFFFAOYSA-N 1 0 267.376 3.194 40 0 CGABRO CC[C@H](C)[NH+]1CCC2(CC1)c1ccccc1N(CC)C2=O ZINC000096078903 392245579 /nfs/dbraw/zinc/24/55/79/392245579.db2.gz JYWURFPMTGAVCV-AWEZNQCLSA-N 1 0 286.419 3.185 40 0 CGABRO CC(C)(C)OC(=O)n1ccc2cc(C3([NH3+])CC3)ccc21 ZINC000575628836 542763933 /nfs/dbraw/zinc/76/39/33/542763933.db2.gz CCOWGWZJVCILLQ-UHFFFAOYSA-N 1 0 272.348 3.372 40 0 CGABRO CCC(CC)N1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000022026707 397605622 /nfs/dbraw/zinc/60/56/22/397605622.db2.gz DDWDAWLJRHKZHU-XHSDSOJGSA-N 1 0 262.441 3.005 40 0 CGABRO CC[C@@]12CCC[N@@H+]3CC[C@@]4(c5cccc(O)c5N[C@@H]4CC1)[C@@H]32 ZINC000004830729 170025306 /nfs/dbraw/zinc/02/53/06/170025306.db2.gz CEZHSDCDXAKXAD-LULLPPNCSA-N 1 0 298.430 3.482 40 0 CGABRO CC(C)[NH2+][C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004976426 170047855 /nfs/dbraw/zinc/04/78/55/170047855.db2.gz ILABSMRKFLZNPK-IAGOWNOFSA-N 1 0 255.361 3.459 40 0 CGABRO CCc1ccc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000005477322 170103048 /nfs/dbraw/zinc/10/30/48/170103048.db2.gz VMDAXPFTCFMPFN-YQQAZPJKSA-N 1 0 291.435 3.252 40 0 CGABRO CCC[C@H](O)C[NH2+]C[C@H]1CC[C@@H]2CCc3cccc1c32 ZINC000005731979 170135021 /nfs/dbraw/zinc/13/50/21/170135021.db2.gz IPOQXZDRQPLOFD-XHSDSOJGSA-N 1 0 273.420 3.344 40 0 CGABRO CC(C)(CO)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000006883158 170252698 /nfs/dbraw/zinc/25/26/98/170252698.db2.gz ZYYJCNFPWRCEGU-UHFFFAOYSA-N 1 0 255.361 3.214 40 0 CGABRO CCCCCC[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000007260983 170273755 /nfs/dbraw/zinc/27/37/55/170273755.db2.gz QYTJJWMQUXUFNX-UHFFFAOYSA-N 1 0 281.396 3.382 40 0 CGABRO CCCOc1ccc(C[NH2+]CCCOC)cc1OCC ZINC000020933537 171280797 /nfs/dbraw/zinc/28/07/97/171280797.db2.gz SDTODCUKOLWUAW-UHFFFAOYSA-N 1 0 281.396 3.000 40 0 CGABRO C[NH+](C)CCCNc1nc(-c2ccc(F)cc2)cs1 ZINC000035312170 172122735 /nfs/dbraw/zinc/12/27/35/172122735.db2.gz PFVOKPZELRZDFV-UHFFFAOYSA-N 1 0 279.384 3.313 40 0 CGABRO COc1cccc(Cc2cccc([C@H]3CCC[N@H+](C)C3)n2)c1 ZINC000072348578 176373694 /nfs/dbraw/zinc/37/36/94/176373694.db2.gz HNUMUWSKTGCAPK-INIZCTEOSA-N 1 0 296.414 3.490 40 0 CGABRO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072355679 176375199 /nfs/dbraw/zinc/37/51/99/176375199.db2.gz CORGABVMUKPWLO-HNNXBMFYSA-N 1 0 284.407 3.164 40 0 CGABRO C[NH+]1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 ZINC000072359271 176376781 /nfs/dbraw/zinc/37/67/81/176376781.db2.gz DOMGWVUQDISTLD-UHFFFAOYSA-N 1 0 271.339 3.092 40 0 CGABRO COc1ccccc1Oc1nccnc1[C@@H]1CCC[N@H+](C)C1 ZINC000072361535 176377559 /nfs/dbraw/zinc/37/75/59/176377559.db2.gz WAJVYPRMWNLKIX-CYBMUJFWSA-N 1 0 299.374 3.087 40 0 CGABRO c1ccc(-c2cncc(C[C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000072384524 176388776 /nfs/dbraw/zinc/38/87/76/176388776.db2.gz WVPOCLHGIDFVAF-CQSZACIVSA-N 1 0 267.376 3.076 40 0 CGABRO Fc1ccc(Cc2ccnc(C3CC[NH2+]CC3)c2)cc1 ZINC000072384567 176389005 /nfs/dbraw/zinc/38/90/05/176389005.db2.gz AEBOMADKVZBJRG-UHFFFAOYSA-N 1 0 270.351 3.279 40 0 CGABRO C[C@@H]1CCC[C@H](C)[N@H+]1CCOc1ccc(C=O)cc1 ZINC000217788328 262344435 /nfs/dbraw/zinc/34/44/35/262344435.db2.gz SBNDMMYUZXEZDP-OKILXGFUSA-N 1 0 261.365 3.141 40 0 CGABRO C[N@H+]1CC=C(/C=C/C2=Cc3ccccc3OC2)CC1 ZINC000012154293 277022802 /nfs/dbraw/zinc/02/28/02/277022802.db2.gz RFWXVMMQLZUBFE-VOTSOKGWSA-N 1 0 253.345 3.281 40 0 CGABRO C[C@@H]1C[C@H](OC[C@@H](O)C[NH+]2CCCCC2)CC(C)(C)C1 ZINC000033526435 278031995 /nfs/dbraw/zinc/03/19/95/278031995.db2.gz AMTVBNMAIGCREU-PMPSAXMXSA-N 1 0 283.456 3.065 40 0 CGABRO Cc1ccc2cc(C[NH2+]C3CCCCC3)c3nnnn3c2c1 ZINC000012644833 327783528 /nfs/dbraw/zinc/78/35/28/327783528.db2.gz KVSMPLBQZYYTPH-UHFFFAOYSA-N 1 0 295.390 3.008 40 0 CGABRO c1csc(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)c1 ZINC000019346528 500689664 /nfs/dbraw/zinc/68/96/64/500689664.db2.gz WAZDBTVDUKJCQP-UHFFFAOYSA-N 1 0 298.415 3.399 40 0 CGABRO Cn1c2ccccc2c2cc([C@H](O)CC[NH+](C)C)ccc21 ZINC000005580122 230369645 /nfs/dbraw/zinc/36/96/45/230369645.db2.gz YNBJJYAOMKRVPO-GOSISDBHSA-N 1 0 282.387 3.317 40 0 CGABRO Cc1ccc(-c2nnc([C@@H]([NH3+])Cc3ccccc3)[nH]2)cc1 ZINC000095534911 185007876 /nfs/dbraw/zinc/00/78/76/185007876.db2.gz QIHJHCWMAQBENW-HNNXBMFYSA-N 1 0 278.359 3.023 40 0 CGABRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccncc2)cc1 ZINC000078719454 345620107 /nfs/dbraw/zinc/62/01/07/345620107.db2.gz SCWQZZYVNQIZBK-KRWDZBQOSA-N 1 0 268.360 3.427 40 0 CGABRO C[C@H]1CCCN([C@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000108018380 345936304 /nfs/dbraw/zinc/93/63/04/345936304.db2.gz NJLPFISAWFGTMU-SMDDNHRTSA-N 1 0 252.789 3.072 40 0 CGABRO CN1C(=O)CC[C@@]12CCC[N@H+](CC1CCCCC1)CC2 ZINC000585100533 346724734 /nfs/dbraw/zinc/72/47/34/346724734.db2.gz MNHUPRSDQCVRAM-QGZVFWFLSA-N 1 0 278.440 3.044 40 0 CGABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]CC1CC1 ZINC000585289376 346725786 /nfs/dbraw/zinc/72/57/86/346725786.db2.gz ISWPCEQDPRDNPH-ARFHVFGLSA-N 1 0 295.810 3.000 40 0 CGABRO C[NH+]1CCC2(CC1)CC(=O)c1cc(C(C)(C)C)ccc1O2 ZINC000225818327 282723975 /nfs/dbraw/zinc/72/39/75/282723975.db2.gz DGHKGCNDEVOERW-UHFFFAOYSA-N 1 0 287.403 3.414 40 0 CGABRO CC[C@H](CO)[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000001666319 368427754 /nfs/dbraw/zinc/42/77/54/368427754.db2.gz PUWDOUUZCPMKIU-MJGOQNOKSA-N 1 0 299.414 3.340 40 0 CGABRO CCC(=O)[C@](CC[NH+](C)C)(c1ccccc1)c1ccccn1 ZINC000001675614 368430237 /nfs/dbraw/zinc/43/02/37/368430237.db2.gz ZNFQZULJEUVJDX-LJQANCHMSA-N 1 0 296.414 3.299 40 0 CGABRO CCCCOC(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000001690147 368431672 /nfs/dbraw/zinc/43/16/72/368431672.db2.gz NKNQQSVZKIIQBV-ZDUSSCGKSA-N 1 0 258.406 3.023 40 0 CGABRO Cc1ccc(C23C[C@H]4C[C@H](CC(C[NH2+]CCO)(C4)C2)C3)cc1 ZINC000002668874 368473047 /nfs/dbraw/zinc/47/30/47/368473047.db2.gz YRDXIUVQCYSSBN-FWYSVENZSA-N 1 0 299.458 3.415 40 0 CGABRO C[n+]1ccccc1/C=C/C1=Cc2ccccc2OC1 ZINC000005002336 368559195 /nfs/dbraw/zinc/55/91/95/368559195.db2.gz BPHPJJMQRBLWRA-MDZDMXLPSA-N 1 0 250.321 3.000 40 0 CGABRO CC(C)(C)OC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000012357233 368609301 /nfs/dbraw/zinc/60/93/01/368609301.db2.gz PXZWEXYHJVPBJP-HNNXBMFYSA-N 1 0 286.375 3.364 40 0 CGABRO COc1cccc(C[NH2+]Cc2ccc3[nH]ccc3c2)c1 ZINC000015424156 368694497 /nfs/dbraw/zinc/69/44/97/368694497.db2.gz UGCNEENRJWKEAI-UHFFFAOYSA-N 1 0 266.344 3.466 40 0 CGABRO C[NH+](C)CCOc1ccc(/C=C/c2ccccn2)cc1 ZINC000016931871 368722904 /nfs/dbraw/zinc/72/29/04/368722904.db2.gz MWPSXBFRULQESJ-RMKNXTFCSA-N 1 0 268.360 3.192 40 0 CGABRO CN1C(=[NH2+])NC(c2ccccc2)=C[C@]1(C)c1ccccc1 ZINC000017131100 368728684 /nfs/dbraw/zinc/72/86/84/368728684.db2.gz IKDIBMMUVRXPGJ-GOSISDBHSA-N 1 0 277.371 3.203 40 0 CGABRO CCN(CC[NH+](CC)CC)C(=O)Nc1ccccc1F ZINC000019074497 368743649 /nfs/dbraw/zinc/74/36/49/368743649.db2.gz QOBORBFWNDAKFX-UHFFFAOYSA-N 1 0 281.375 3.021 40 0 CGABRO O[C@]12CCCC[C@@H]1C[N@H+](CC1=Cc3ccccc3OC1)CC2 ZINC000019375134 368750401 /nfs/dbraw/zinc/75/04/01/368750401.db2.gz DRALRCCXSSHPOB-MJGOQNOKSA-N 1 0 299.414 3.089 40 0 CGABRO CCC(CC)N1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019361954 368750608 /nfs/dbraw/zinc/75/06/08/368750608.db2.gz DDWDAWLJRHKZHU-PMPSAXMXSA-N 1 0 262.441 3.005 40 0 CGABRO CC[NH+](CC)CCNCc1ccc(Cl)cc1Cl ZINC000019919230 368784635 /nfs/dbraw/zinc/78/46/35/368784635.db2.gz UUQIIEOJHHZNSL-UHFFFAOYSA-N 1 0 275.223 3.425 40 0 CGABRO CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000019963774 368791048 /nfs/dbraw/zinc/79/10/48/368791048.db2.gz ZCGNYRHJIHICCJ-CJNGLKHVSA-N 1 0 263.381 3.305 40 0 CGABRO CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000019963775 368791108 /nfs/dbraw/zinc/79/11/08/368791108.db2.gz ZCGNYRHJIHICCJ-BBRMVZONSA-N 1 0 263.381 3.305 40 0 CGABRO CCCC[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000020088053 368799031 /nfs/dbraw/zinc/79/90/31/368799031.db2.gz NSYXMFPVIFVQQM-UHFFFAOYSA-N 1 0 251.370 3.372 40 0 CGABRO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000026897426 368865317 /nfs/dbraw/zinc/86/53/17/368865317.db2.gz FEKQTLCLFPIWFZ-AEFFLSMTSA-N 1 0 293.451 3.370 40 0 CGABRO CCOC(=O)c1ccc(-c2cn3cc(C)ccc3n2)cc1 ZINC000034127580 368972490 /nfs/dbraw/zinc/97/24/90/368972490.db2.gz JOQPDAAQTAOZFH-UHFFFAOYSA-N 1 0 280.327 3.486 40 0 in-vitro CGABRO C[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1ccccc1 ZINC000047219042 369309731 /nfs/dbraw/zinc/30/97/31/369309731.db2.gz KPIIVEYPTCQGJK-QWHCGFSZSA-N 1 0 263.381 3.315 40 0 CGABRO CCNc1ncc(C[NH2+]C(C)(C)CC(C)(C)C)cn1 ZINC000062717553 369629005 /nfs/dbraw/zinc/62/90/05/369629005.db2.gz PPGDEMCIHFSYGF-UHFFFAOYSA-N 1 0 264.417 3.213 40 0 CGABRO CC(C)[NH+]1CCC(O)(c2ccc(Cl)c(F)c2)CC1 ZINC000079030392 369960098 /nfs/dbraw/zinc/96/00/98/369960098.db2.gz QZYGZMOOFPQOLX-UHFFFAOYSA-N 1 0 271.763 3.171 40 0 CGABRO C[NH2+][C@@H]1CCCC[C@@H]1N(C(=O)OC(C)(C)C)C(C)C ZINC000079437672 369968607 /nfs/dbraw/zinc/96/86/07/369968607.db2.gz YBXRHLAYHYKZHW-OLZOCXBDSA-N 1 0 270.417 3.163 40 0 CGABRO [NH3+]C[C@@H]1CCCCN1Cc1ccc(Cl)cc1Cl ZINC000096319823 370210715 /nfs/dbraw/zinc/21/07/15/370210715.db2.gz ZXYQKGZHHBBGSC-LBPRGKRZSA-N 1 0 273.207 3.307 40 0 CGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2cccc(C)n2)o1 ZINC000306141130 374128350 /nfs/dbraw/zinc/12/83/50/374128350.db2.gz VLWWFIYDAHQFPC-IAGOWNOFSA-N 1 0 297.402 3.145 40 0 CGABRO C[NH+](C)[C@@H]1CCC2=N[C@@H]3C=CC(Br)=CC3=C2C1 ZINC000329060644 374398494 /nfs/dbraw/zinc/39/84/94/374398494.db2.gz WMYJERFRHFHULG-ZWNOBZJWSA-N 1 0 293.208 3.069 40 0 CGABRO Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2cncs2)ccn1 ZINC000257217355 190013618 /nfs/dbraw/zinc/01/36/18/190013618.db2.gz CYPDQJUZGJJDOM-OAHLLOKOSA-N 1 0 287.432 3.444 40 0 CGABRO Cc1nc(-c2cccc([C@H]3CCC[NH2+]C3)n2)sc1C ZINC000257245985 190019598 /nfs/dbraw/zinc/01/95/98/190019598.db2.gz IRYWPJDCCQKVKZ-LBPRGKRZSA-N 1 0 273.405 3.289 40 0 CGABRO Cc1c[nH]c([C@@H]2CC[N@H+](CCCc3ccccc3)C2)n1 ZINC000257298619 190029096 /nfs/dbraw/zinc/02/90/96/190029096.db2.gz RMNFMXJPZLENLZ-MRXNPFEDSA-N 1 0 269.392 3.140 40 0 CGABRO c1cc2ccc(C[NH+]3CCC(c4cnccn4)CC3)cc2[nH]1 ZINC000257301649 190030488 /nfs/dbraw/zinc/03/04/88/190030488.db2.gz RZGOXXBFSRGKAW-UHFFFAOYSA-N 1 0 292.386 3.338 40 0 CGABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](OC)CC2)cc1 ZINC000363674065 382245375 /nfs/dbraw/zinc/24/53/75/382245375.db2.gz RAEXUUJDTJNXSD-OAHLLOKOSA-N 1 0 263.381 3.086 40 0 CGABRO C[C@@H]1CCCN([C@H](C[NH3+])c2c(F)cccc2Cl)C1 ZINC000252140900 296400427 /nfs/dbraw/zinc/40/04/27/296400427.db2.gz MGGRPVFTHDOROX-ZWNOBZJWSA-N 1 0 270.779 3.211 40 0 CGABRO Cc1cc([C@@H](C)[NH3+])cnc1N(C)Cc1ccccc1 ZINC000072222362 256705738 /nfs/dbraw/zinc/70/57/38/256705738.db2.gz ZKKDJKPAXQBSBD-CYBMUJFWSA-N 1 0 255.365 3.046 40 0 CGABRO CC[C@H]([NH3+])c1cnc(N2CCc3ccccc3C2)cc1C ZINC000072223897 392203309 /nfs/dbraw/zinc/20/33/09/392203309.db2.gz PIMSXVOIERCZIJ-KRWDZBQOSA-N 1 0 281.403 3.363 40 0 CGABRO CC(C)N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C)[NH3+] ZINC000079420296 392220167 /nfs/dbraw/zinc/22/01/67/392220167.db2.gz HDRAMXIULIKMNK-VIFPVBQESA-N 1 0 289.206 3.078 40 0 CGABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@]1(CC[NH2+]1)CCO2 ZINC000306145369 392635553 /nfs/dbraw/zinc/63/55/53/392635553.db2.gz CQHRUMFLDNGLLT-INIZCTEOSA-N 1 0 290.363 3.005 40 0 CGABRO c1ccc(C(c2ccccc2)N2CCC[NH2+]CC2)cc1 ZINC000022029150 397605605 /nfs/dbraw/zinc/60/56/05/397605605.db2.gz HEDLHDOJKVFHFG-UHFFFAOYSA-N 1 0 266.388 3.071 40 0 CGABRO Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000004886658 170036387 /nfs/dbraw/zinc/03/63/87/170036387.db2.gz GXICPOGKTHAESF-ZNXRZULTSA-N 1 0 298.430 3.273 40 0 CGABRO CCCn1c(/C=C/c2cc[n+](C)cc2)nc2ccccc21 ZINC000004906710 170039452 /nfs/dbraw/zinc/03/94/52/170039452.db2.gz FKHDBFVJULDFLU-UHFFFAOYSA-N 1 0 278.379 3.441 40 0 CGABRO CCCCCc1cc[n+](C[C@H](O)c2ccccc2)cc1 ZINC000005973385 170164596 /nfs/dbraw/zinc/16/45/96/170164596.db2.gz RURILSADEAUIPB-SFHVURJKSA-N 1 0 270.396 3.440 40 0 CGABRO CCCCCC[NH2+]Cc1ccc(OC)cc1OC ZINC000007261046 170273849 /nfs/dbraw/zinc/27/38/49/170273849.db2.gz BRMZIRXNGVBFSK-UHFFFAOYSA-N 1 0 251.370 3.374 40 0 CGABRO CCCCCC[NH2+]Cc1cccc(OC)c1OC ZINC000007261074 170274054 /nfs/dbraw/zinc/27/40/54/170274054.db2.gz YMSGGDZNKXASJU-UHFFFAOYSA-N 1 0 251.370 3.374 40 0 CGABRO COc1cc(C=O)ccc1OCCC[NH+]1CCCCCC1 ZINC000008731498 170351126 /nfs/dbraw/zinc/35/11/26/170351126.db2.gz CRYGEDGHQIOYKE-UHFFFAOYSA-N 1 0 291.391 3.153 40 0 CGABRO COc1ccc2[nH]c(C)c(/C=C/c3cc[n+](C)cc3)c2c1 ZINC000009306101 170371054 /nfs/dbraw/zinc/37/10/54/170371054.db2.gz LBSOPERNEIFODU-UHFFFAOYSA-O 1 0 279.363 3.480 40 0 CGABRO CCCOc1ccc(C[NH2+]C(C)C)cc1OCC ZINC000020933462 171280982 /nfs/dbraw/zinc/28/09/82/171280982.db2.gz XWTILLJQFTZFEH-UHFFFAOYSA-N 1 0 251.370 3.372 40 0 CGABRO CCN(CC)[C@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000022214828 171375241 /nfs/dbraw/zinc/37/52/41/171375241.db2.gz CIMXURRRDNKBPD-GFCCVEGCSA-N 1 0 260.303 3.047 40 0 CGABRO FC(F)(F)c1cnc(NCC2CC[NH2+]CC2)c(Cl)c1 ZINC000040435003 174261082 /nfs/dbraw/zinc/26/10/82/174261082.db2.gz JPGXYMAZSWAEKX-UHFFFAOYSA-N 1 0 293.720 3.165 40 0 CGABRO c1ccc(CCNc2ccnc(C3CC[NH2+]CC3)c2)cc1 ZINC000072364921 176379854 /nfs/dbraw/zinc/37/98/54/176379854.db2.gz HJSYAQQPMJSOGX-UHFFFAOYSA-N 1 0 281.403 3.203 40 0 CGABRO CC[NH+](CC)CCOC(=O)c1cc2cc(C)ccc2o1 ZINC000003066417 276099851 /nfs/dbraw/zinc/09/98/51/276099851.db2.gz HBWKTJNJEYJZHG-UHFFFAOYSA-N 1 0 275.348 3.240 40 0 CGABRO C[NH+]1CCC2(CC1)CC(=O)c1c(ccc3ccccc31)O2 ZINC000225824125 277035483 /nfs/dbraw/zinc/03/54/83/277035483.db2.gz MBFXEKYCHGVVIJ-UHFFFAOYSA-N 1 0 281.355 3.269 40 0 CGABRO Cc1cccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4[NH2+]2)c1 ZINC000019235325 281185694 /nfs/dbraw/zinc/18/56/94/281185694.db2.gz LEYOQTPQVSIKKQ-DZGCQCFKSA-N 1 0 290.370 3.054 40 0 CGABRO CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC[C@H](O)C[NH+]1CCCCC1)C2 ZINC000002154198 281540740 /nfs/dbraw/zinc/54/07/40/281540740.db2.gz KEELYYKHJSSOCT-UIBIWLFHSA-N 1 0 295.467 3.065 40 0 CGABRO FC(F)(F)c1cccc(N2CC[NH2+][C@H]3CCC[C@H]32)c1 ZINC000218844939 333136973 /nfs/dbraw/zinc/13/69/73/333136973.db2.gz GKJNKERRBRVGGS-QWHCGFSZSA-N 1 0 270.298 3.036 40 0 CGABRO c1cc(CN2CC3(C2)CC[N@H+](Cc2ccsc2)C3)co1 ZINC000096046481 185071543 /nfs/dbraw/zinc/07/15/43/185071543.db2.gz JFPWUEKXJQDRAL-UHFFFAOYSA-N 1 0 288.416 3.049 40 0 CGABRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)c[nH]c1=O ZINC000072217947 345406174 /nfs/dbraw/zinc/40/61/74/345406174.db2.gz AEVUDZXWGJDDEX-INIZCTEOSA-N 1 0 268.360 3.020 40 0 CGABRO [NH3+]C[C@@H](c1c[nH]c2cc(Cl)ccc21)C(F)(F)F ZINC000096529467 345903279 /nfs/dbraw/zinc/90/32/79/345903279.db2.gz KPISXAABKDKLIC-VIFPVBQESA-N 1 0 262.662 3.426 40 0 CGABRO C[C@H]1CCCN([C@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000108018384 345936266 /nfs/dbraw/zinc/93/62/66/345936266.db2.gz AZSNIQWQHVUQLA-SMDDNHRTSA-N 1 0 252.789 3.072 40 0 CGABRO CC(C)n1ncc2c1-c1ccccc1OC21CC[NH2+]CC1 ZINC000140039497 346102869 /nfs/dbraw/zinc/10/28/69/346102869.db2.gz IXYCEALGDXSCPR-UHFFFAOYSA-N 1 0 283.375 3.102 40 0 CGABRO CCCCOc1ccc(C[NH2+]CCCOC)cc1OCC ZINC000225157787 189744311 /nfs/dbraw/zinc/74/43/11/189744311.db2.gz SXDRTESPDOIUNB-UHFFFAOYSA-N 1 0 295.423 3.390 40 0 CGABRO C[C@@H](COCc1ccccc1)[NH2+]Cc1ccccc1 ZINC000001649103 368426334 /nfs/dbraw/zinc/42/63/34/368426334.db2.gz JFNYLCUFOQTHFC-HNNXBMFYSA-N 1 0 255.361 3.382 40 0 CGABRO O=C(CC[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000001701099 368433017 /nfs/dbraw/zinc/43/30/17/368433017.db2.gz KALXKAGOMISNSJ-UHFFFAOYSA-N 1 0 251.757 3.399 40 0 CGABRO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH+](CC)CC ZINC000002694476 368472189 /nfs/dbraw/zinc/47/21/89/368472189.db2.gz ILZNGEAPOFFSCE-GJZGRUSLSA-N 1 0 279.424 3.282 40 0 CGABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000012170024 368605123 /nfs/dbraw/zinc/60/51/23/368605123.db2.gz LIIZJBOIYSYKOB-VNHYZAJKSA-N 1 0 297.826 3.058 40 0 CGABRO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000013998887 368672275 /nfs/dbraw/zinc/67/22/75/368672275.db2.gz ISCMGIWDVURGJL-UHFFFAOYSA-N 1 0 298.773 3.471 40 0 CGABRO c1c2cccnc2n(CC[NH+]2CCCCC2)c1[C@H]1CCCO1 ZINC000019347185 368748077 /nfs/dbraw/zinc/74/80/77/368748077.db2.gz QUROTGLADLKIIK-QGZVFWFLSA-N 1 0 299.418 3.374 40 0 CGABRO c1ccc([C@@H]2[C@@H]3CCC[C@H]3[C@H]2[NH2+]C[C@@H]2CCOC2)cc1 ZINC000019373720 368750144 /nfs/dbraw/zinc/75/01/44/368750144.db2.gz MDOWAAUMGYZGRS-CZIOMAOESA-N 1 0 271.404 3.195 40 0 CGABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1 ZINC000019575772 368756436 /nfs/dbraw/zinc/75/64/36/368756436.db2.gz QNITWHLGUAZIOT-SWLSCSKDSA-N 1 0 264.800 3.009 40 0 CGABRO CC(C)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020107748 368804185 /nfs/dbraw/zinc/80/41/85/368804185.db2.gz PYOMRHFNZWLRML-CQSZACIVSA-N 1 0 274.408 3.057 40 0 CGABRO C[NH+](C)CCN(CCCc1ccccc1)Cc1ccncc1 ZINC000023247741 368818300 /nfs/dbraw/zinc/81/83/00/368818300.db2.gz IDFDQVGYNJCXIC-UHFFFAOYSA-N 1 0 297.446 3.078 40 0 CGABRO Cc1ccc(C)c(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000057288870 369534019 /nfs/dbraw/zinc/53/40/19/369534019.db2.gz XLZJKFWENQHJRK-UHFFFAOYSA-N 1 0 288.435 3.299 40 0 CGABRO C[NH+](C)CCCNCc1c(Cl)cccc1Cl ZINC000057322205 369534587 /nfs/dbraw/zinc/53/45/87/369534587.db2.gz HBFRUTWRJQBSFL-UHFFFAOYSA-N 1 0 261.196 3.035 40 0 CGABRO CCc1cccc2cc3c(nc21)O[C@H](CC)C[NH2+]C3 ZINC000072392284 369817116 /nfs/dbraw/zinc/81/71/16/369817116.db2.gz RYKQXTGUCAASHC-CQSZACIVSA-N 1 0 256.349 3.058 40 0 CGABRO c1cn(-c2nccnc2[C@H]2CCC[N@@H+]2C2CCCCC2)cn1 ZINC000072359234 369818189 /nfs/dbraw/zinc/81/81/89/369818189.db2.gz USXZTTZJBNDFKN-OAHLLOKOSA-N 1 0 297.406 3.132 40 0 CGABRO C[NH+]1CCC(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000074921005 369890493 /nfs/dbraw/zinc/89/04/93/369890493.db2.gz DCELVJVWQUPDNP-UHFFFAOYSA-N 1 0 266.772 3.010 40 0 CGABRO CCSc1ccc(C2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000079030425 369959958 /nfs/dbraw/zinc/95/99/58/369959958.db2.gz PLKIELKWNPEBHK-UHFFFAOYSA-N 1 0 279.449 3.490 40 0 CGABRO C[NH2+][C@@H]1CCCC[C@H]1N(C(=O)OC(C)(C)C)C(C)C ZINC000079437670 369969152 /nfs/dbraw/zinc/96/91/52/369969152.db2.gz YBXRHLAYHYKZHW-CHWSQXEVSA-N 1 0 270.417 3.163 40 0 CGABRO CN/C(=C(/[NH2+]C)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000101202247 370288013 /nfs/dbraw/zinc/28/80/13/370288013.db2.gz PJUDGBGBVQYWES-FOCLMDBBSA-N 1 0 274.314 3.229 40 0 CGABRO CC(C)Cn1cc(C[NH2+]Cc2cc(F)cc(F)c2)cn1 ZINC000256053737 190004864 /nfs/dbraw/zinc/00/48/64/190004864.db2.gz SQACLRIGRLLAFV-UHFFFAOYSA-N 1 0 279.334 3.107 40 0 CGABRO Cc1csc(-c2cc(C)nc([C@H]3CCC[N@@H+](C)C3)n2)n1 ZINC000257202999 190010547 /nfs/dbraw/zinc/01/05/47/190010547.db2.gz AOFHXXGJUJOWAJ-LBPRGKRZSA-N 1 0 288.420 3.026 40 0 CGABRO CC(C)n1ccnc1C[N@@H+]1CCC[C@H]1CCc1ccncc1 ZINC000257211797 190012328 /nfs/dbraw/zinc/01/23/28/190012328.db2.gz CALJYLKETSVFGR-KRWDZBQOSA-N 1 0 298.434 3.456 40 0 CGABRO CC(C)n1nccc1-c1cccc(C2CC[NH+](C)CC2)n1 ZINC000257238971 190018081 /nfs/dbraw/zinc/01/80/81/190018081.db2.gz HNHUTXLIXZRTJR-UHFFFAOYSA-N 1 0 284.407 3.335 40 0 CGABRO CC1(c2nccs2)CC[NH+](CC2(O)CCCCC2)CC1 ZINC000257248381 190020278 /nfs/dbraw/zinc/02/02/78/190020278.db2.gz JDKLDPYMURSYSH-UHFFFAOYSA-N 1 0 294.464 3.192 40 0 CGABRO Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2ccncc2)ccn1 ZINC000257265141 190023111 /nfs/dbraw/zinc/02/31/11/190023111.db2.gz LXLSJXBAZDDBFJ-SFHVURJKSA-N 1 0 281.403 3.382 40 0 CGABRO Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)n1 ZINC000257256650 190021978 /nfs/dbraw/zinc/02/19/78/190021978.db2.gz KMJHAAFGWBQDEG-INIZCTEOSA-N 1 0 294.402 3.199 40 0 CGABRO CC(C)n1nccc1-c1cc(C[C@@H]2CCC[NH2+]C2)ccn1 ZINC000257261461 190022398 /nfs/dbraw/zinc/02/23/98/190022398.db2.gz LHKIMGZOVJGDSL-HNNXBMFYSA-N 1 0 284.407 3.068 40 0 CGABRO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1cncc(C)n1 ZINC000257274482 190024427 /nfs/dbraw/zinc/02/44/27/190024427.db2.gz NLGCTLGCQRCYIA-AWEZNQCLSA-N 1 0 273.405 3.492 40 0 CGABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c(C)n1 ZINC000257295024 190028488 /nfs/dbraw/zinc/02/84/88/190028488.db2.gz QWPZATUHZIXLPS-ZDUSSCGKSA-N 1 0 290.436 3.048 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H](c2cccc(-c3cc[nH]n3)n2)C1 ZINC000257299790 190029215 /nfs/dbraw/zinc/02/92/15/190029215.db2.gz RRPQTNPTBZYCDR-CYBMUJFWSA-N 1 0 270.380 3.060 40 0 CGABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)c[nH]3)C2)c1 ZINC000257331530 190035481 /nfs/dbraw/zinc/03/54/81/190035481.db2.gz XTGSHSGLMCFGEM-HNNXBMFYSA-N 1 0 285.391 3.106 40 0 CGABRO CN(C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212586 256714365 /nfs/dbraw/zinc/71/43/65/256714365.db2.gz GZXVSISFDHLQFZ-QGZVFWFLSA-N 1 0 281.403 3.485 40 0 CGABRO Cc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H](C)CO)cc1 ZINC000001667038 391912959 /nfs/dbraw/zinc/91/29/59/391912959.db2.gz SBRNPMKCHAICRK-CRAIPNDOSA-N 1 0 269.388 3.249 40 0 CGABRO CC[C@H](OC[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000002694573 391915760 /nfs/dbraw/zinc/91/57/60/391915760.db2.gz DKNKMLJZGLSJIR-MSOLQXFVSA-N 1 0 291.435 3.247 40 0 CGABRO COc1ccc(N[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC000218862816 130770918 /nfs/dbraw/zinc/77/09/18/130770918.db2.gz JLWDTMYSJVRIAT-RYUDHWBXSA-N 1 0 254.761 3.030 40 0 CGABRO C[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000070453330 392183543 /nfs/dbraw/zinc/18/35/43/392183543.db2.gz OBGLFVNGGSFDNP-VMPITWQZSA-N 1 0 253.345 3.498 40 0 CGABRO CN(c1ccccc1)c1ncccc1[C@@H]1CCC[NH2+]1 ZINC000072214240 392198449 /nfs/dbraw/zinc/19/84/49/392198449.db2.gz SIHZVGUXOHZOEC-HNNXBMFYSA-N 1 0 253.349 3.274 40 0 CGABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C)CC)nc1 ZINC000072212735 392198725 /nfs/dbraw/zinc/19/87/25/392198725.db2.gz DPIXXTIBCUTEJG-HNNXBMFYSA-N 1 0 261.413 3.475 40 0 CGABRO CCN(CC)c1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072212895 392198807 /nfs/dbraw/zinc/19/88/07/392198807.db2.gz DNEUAWBGKJIOIR-HNNXBMFYSA-N 1 0 261.413 3.473 40 0 CGABRO C[N@@H+]1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214304 392198924 /nfs/dbraw/zinc/19/89/24/392198924.db2.gz AKLMETJRMVBGSA-GFCCVEGCSA-N 1 0 277.368 3.195 40 0 CGABRO O=C1OC[C@@H]2CC[N@@H+](C3CCCC3)Cc3ccccc3N12 ZINC000225483157 393012182 /nfs/dbraw/zinc/01/21/82/393012182.db2.gz QWXCOJVZLSDEGW-HNNXBMFYSA-N 1 0 286.375 3.160 40 0 biogenic,in-vitro CGABRO CC(C)=C(c1ccc(Cl)cc1)c1c(N)ncnc1N ZINC000001597009 397602701 /nfs/dbraw/zinc/60/27/01/397602701.db2.gz QVTGGJMFTGQPNE-UHFFFAOYSA-N 1 0 274.755 3.136 40 0 CGABRO CCCCC[C@H](C)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000004792401 170017940 /nfs/dbraw/zinc/01/79/40/170017940.db2.gz TZFIKPNSAKEHAV-DOTOQJQBSA-N 1 0 263.425 3.491 40 0 CGABRO CC[C@]12CCC[N@@H+]3CC[C@@]4(c5cccc(O)c5N[C@@H]4CC1)[C@@H]32 ZINC000004830728 170025268 /nfs/dbraw/zinc/02/52/68/170025268.db2.gz CEZHSDCDXAKXAD-BVBHFADKSA-N 1 0 298.430 3.482 40 0 CGABRO CCC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H]2CCc3cccc1c32 ZINC000005731977 170135067 /nfs/dbraw/zinc/13/50/67/170135067.db2.gz IPOQXZDRQPLOFD-JYJNAYRXSA-N 1 0 273.420 3.344 40 0 CGABRO CCc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000005961859 170162768 /nfs/dbraw/zinc/16/27/68/170162768.db2.gz WKDZPMICWBEODF-KRWDZBQOSA-N 1 0 291.435 3.253 40 0 CGABRO COC(=O)/C(=C/c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000006482053 170204694 /nfs/dbraw/zinc/20/46/94/170204694.db2.gz KDNZTTATNGKRIP-SDNWHVSQSA-N 1 0 293.794 3.382 40 0 CGABRO COCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000008469249 170336818 /nfs/dbraw/zinc/33/68/18/170336818.db2.gz QDFKSBYXWIWJFW-UHFFFAOYSA-N 1 0 271.360 3.002 40 0 CGABRO COc1ccc2[nH]c([C@H]3CC[N@H+](CCC(C)C)C3)nc2c1 ZINC000035446771 172203061 /nfs/dbraw/zinc/20/30/61/172203061.db2.gz LBUDMSNKFAOSBO-ZDUSSCGKSA-N 1 0 287.407 3.407 40 0 biogenic,in-vitro CGABRO Clc1cccc(Cl)c1CO[C@H]1CCC[NH2+]C1 ZINC000051787330 175525274 /nfs/dbraw/zinc/52/52/74/175525274.db2.gz QWJFAUZWPAPOPK-VIFPVBQESA-N 1 0 260.164 3.262 40 0 CGABRO CN(Cc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000072203590 176341582 /nfs/dbraw/zinc/34/15/82/176341582.db2.gz GTAXMIPUEKSCRV-SNVBAGLBSA-N 1 0 273.207 3.177 40 0 CGABRO CC(=O)Nc1cccc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000072348389 176372960 /nfs/dbraw/zinc/37/29/60/176372960.db2.gz IYQPZCQLLHXSAH-OAHLLOKOSA-N 1 0 295.386 3.174 40 0 CGABRO COc1cccc(-c2cccc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000072356400 176375487 /nfs/dbraw/zinc/37/54/87/176375487.db2.gz DBWNWRJZXJKTAK-AWEZNQCLSA-N 1 0 268.360 3.224 40 0 CGABRO Fc1cccc(Cc2cccc([C@H]3CCC[NH2+]3)n2)c1 ZINC000072356422 176375752 /nfs/dbraw/zinc/37/57/52/176375752.db2.gz AIDSEKPCANCAAC-OAHLLOKOSA-N 1 0 256.324 3.236 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H](Cc2ccnc(Cl)c2)C1 ZINC000072363353 176377602 /nfs/dbraw/zinc/37/76/02/176377602.db2.gz SZLQZGJRPFQZEP-CYBMUJFWSA-N 1 0 252.789 3.398 40 0 CGABRO Cc1nc(-c2ccc(F)c(F)c2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072365100 176380004 /nfs/dbraw/zinc/38/00/04/176380004.db2.gz WJIIOPGKLGUBRQ-LBPRGKRZSA-N 1 0 289.329 3.197 40 0 CGABRO Cc1nc(C[N@@H+]2CCC[C@@H](Cc3cccnc3)C2)cs1 ZINC000072386121 176391171 /nfs/dbraw/zinc/39/11/71/176391171.db2.gz YWWKSKMLLWSITG-HNNXBMFYSA-N 1 0 287.432 3.301 40 0 CGABRO CCc1ncc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)cn1 ZINC000072397946 176395609 /nfs/dbraw/zinc/39/56/09/176395609.db2.gz RUGSWLHGYNBWLC-CYBMUJFWSA-N 1 0 285.391 3.241 40 0 CGABRO C[C@@H]1CCCN([C@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000252111048 287359401 /nfs/dbraw/zinc/35/94/01/287359401.db2.gz HTUFBLYJYHUCRK-BXUZGUMPSA-N 1 0 297.240 3.181 40 0 CGABRO C[NH+](C)C[C@@H](O)c1ccc2c(c1)oc1ccccc12 ZINC000006437158 276795269 /nfs/dbraw/zinc/79/52/69/276795269.db2.gz PFCIEYMQAXGJCE-CQSZACIVSA-N 1 0 255.317 3.181 40 0 CGABRO CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100809433 277422953 /nfs/dbraw/zinc/42/29/53/277422953.db2.gz KVHINJUGONNQRB-BETUJISGSA-N 1 0 270.417 3.068 40 0 CGABRO CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072214511 288873932 /nfs/dbraw/zinc/87/39/32/288873932.db2.gz ZXMMYQUKBRXGTN-CYBMUJFWSA-N 1 0 291.395 3.268 40 0 CGABRO CC(C)[C@@H]([NH3+])c1nnc(-c2ccc(C(C)(C)C)cc2)[nH]1 ZINC000095534783 185008381 /nfs/dbraw/zinc/00/83/81/185008381.db2.gz PMDDIAXFTUFWGJ-CYBMUJFWSA-N 1 0 272.396 3.425 40 0 CGABRO C[N@@H+]1CCCCC12CCN(Cc1cccs1)CC2 ZINC000096051190 185075043 /nfs/dbraw/zinc/07/50/43/185075043.db2.gz SKOUBDOEQNSSIJ-UHFFFAOYSA-N 1 0 264.438 3.198 40 0 CGABRO C[NH+](C)CC[C@@]1(C)OCCC2=C1Cc1ccccc12 ZINC000000000635 282113618 /nfs/dbraw/zinc/11/36/18/282113618.db2.gz AMJPIGOYWBNJLP-QGZVFWFLSA-N 1 0 257.377 3.127 40 0 in-man CGABRO [NH3+]Cc1cnc(-c2ccccc2)cc1C(F)(F)F ZINC000083251471 178369209 /nfs/dbraw/zinc/36/92/09/178369209.db2.gz SYRQNZIWEMDZDB-UHFFFAOYSA-N 1 0 252.239 3.226 40 0 CGABRO CC[C@H](C)[C@@H](C(OC)OC)[N@H+](C)Cc1ccccc1 ZINC000035994528 344943490 /nfs/dbraw/zinc/94/34/90/344943490.db2.gz GYOWFCNRTAPUGL-ZFWWWQNUSA-N 1 0 265.397 3.152 40 0 CGABRO CC(C)N1C[C@]2(CCC[N@@H+]([C@@H](C)c3ccccc3)C2)C1=O ZINC000585099441 346724400 /nfs/dbraw/zinc/72/44/00/346724400.db2.gz JNQCJPAYAYGKAR-MAUKXSAKSA-N 1 0 286.419 3.080 40 0 CGABRO Cc1csc(-c2cccc(CC3CC[NH2+]CC3)n2)n1 ZINC000585179609 346725822 /nfs/dbraw/zinc/72/58/22/346725822.db2.gz FMYGQFNWLLPSFN-UHFFFAOYSA-N 1 0 273.405 3.056 40 0 CGABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH+]3CCCCC3)[C@H]2O)c1 ZINC000585289583 346725866 /nfs/dbraw/zinc/72/58/66/346725866.db2.gz RWGIQKLGTVYVDA-RCCFBDPRSA-N 1 0 289.419 3.142 40 0 CGABRO C[NH2+][C@H]1CC[C@H](N(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000252517817 290836513 /nfs/dbraw/zinc/83/65/13/290836513.db2.gz SEGHKXZKMCNPOX-JOCQHMNTSA-N 1 0 270.417 3.163 40 0 CGABRO Brc1ccc2[nH]c([C@H]3[NH2+][C@@H]4CC[C@H]3C4)nc2c1 ZINC000605699535 348167204 /nfs/dbraw/zinc/16/72/04/348167204.db2.gz SCXMYUZLQGHPEE-VMAXQDLPSA-N 1 0 292.180 3.138 40 0 CGABRO [NH3+][C@@H]1CCCC[C@@H]1Nc1cccc(Br)c1 ZINC000218859676 376191846 /nfs/dbraw/zinc/19/18/46/376191846.db2.gz FPNKNFVUBPIETF-NEPJUHHUSA-N 1 0 269.186 3.131 40 0 CGABRO C[NH+](C)CCN(Cc1ccc(Cl)s1)c1ccccn1 ZINC000000001128 368270058 /nfs/dbraw/zinc/27/00/58/368270058.db2.gz XAEXSWVTEJHRMH-UHFFFAOYSA-N 1 0 295.839 3.365 40 0 in-man CGABRO NC(=[NH2+])Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001437883 368415275 /nfs/dbraw/zinc/41/52/75/368415275.db2.gz CIIACUYGNMUBTI-UHFFFAOYSA-N 1 0 270.176 3.203 40 0 CGABRO CCOc1ccc(/C=C/c2cc[n+](C)cc2)cc1OC ZINC000001583395 368421169 /nfs/dbraw/zinc/42/11/69/368421169.db2.gz GBKYMVOIPWBOCC-AATRIKPKSA-N 1 0 270.352 3.089 40 0 CGABRO Cc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H](C)CO)cc1 ZINC000001667037 368427996 /nfs/dbraw/zinc/42/79/96/368427996.db2.gz SBRNPMKCHAICRK-YJBOKZPZSA-N 1 0 269.388 3.249 40 0 CGABRO CCN(C(=O)C[NH2+]CC(C)C)c1ccc(C)c(Cl)c1 ZINC000001669876 368428669 /nfs/dbraw/zinc/42/86/69/368428669.db2.gz NFQAKLPPCQITRZ-UHFFFAOYSA-N 1 0 282.815 3.247 40 0 CGABRO CCCC[N@H+](CCO)Cc1ccc(Br)cc1 ZINC000001672301 368430199 /nfs/dbraw/zinc/43/01/99/368430199.db2.gz ONWFBEZRGOLSOZ-UHFFFAOYSA-N 1 0 286.213 3.044 40 0 CGABRO CC(C)Oc1ccc(C(=O)OCC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000001712556 368433969 /nfs/dbraw/zinc/43/39/69/368433969.db2.gz LZLUDVCQIWQCNH-AWEZNQCLSA-N 1 0 291.391 3.115 40 0 CGABRO CCCOc1ccc(C(=O)CC[NH+](CC)CC)cc1 ZINC000002765495 368476753 /nfs/dbraw/zinc/47/67/53/368476753.db2.gz UXHYNACQSORNAW-UHFFFAOYSA-N 1 0 263.381 3.390 40 0 CGABRO CCc1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000005961847 368566019 /nfs/dbraw/zinc/56/60/19/368566019.db2.gz WKDZPMICWBEODF-QGZVFWFLSA-N 1 0 291.435 3.253 40 0 CGABRO CC1(C)CC=CC[N@H+](Cc2ccnn2[C@H]2CCCCO2)C1 ZINC000012146540 368604977 /nfs/dbraw/zinc/60/49/77/368604977.db2.gz WRQGXTISCNZQJF-MRXNPFEDSA-N 1 0 289.423 3.370 40 0 CGABRO OC1CC[NH+](Cc2ccc(-c3ccc(F)cc3F)o2)CC1 ZINC000012146537 368605225 /nfs/dbraw/zinc/60/52/25/368605225.db2.gz WYJRBXXWXYGXKM-UHFFFAOYSA-N 1 0 293.313 3.182 40 0 CGABRO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000016758608 368720755 /nfs/dbraw/zinc/72/07/55/368720755.db2.gz VGIPEGOQFNUFNF-DOTOQJQBSA-N 1 0 285.387 3.086 40 0 CGABRO CO[C@@H]1CCCC[C@@H]1OC(=O)C[N@H+](C)C1CCCCCC1 ZINC000017703786 368733374 /nfs/dbraw/zinc/73/33/74/368733374.db2.gz OZYVLMYWJFRCQM-CVEARBPZSA-N 1 0 297.439 3.142 40 0 CGABRO CC(C)(C)c1ccc2nc3c(cc2c1)C[NH2+]CCO3 ZINC000019084582 368743940 /nfs/dbraw/zinc/74/39/40/368743940.db2.gz BXJALJFSERGCLT-UHFFFAOYSA-N 1 0 256.349 3.014 40 0 CGABRO [NH3+]CCN[C@H](c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000022917567 368813614 /nfs/dbraw/zinc/81/36/14/368813614.db2.gz VDRQPDAUFPVBKA-OAHLLOKOSA-N 1 0 296.748 3.256 40 0 CGABRO CCCCCc1cc(OC)c(C[C@H](C)[NH3+])cc1OC ZINC000027759564 368875585 /nfs/dbraw/zinc/87/55/85/368875585.db2.gz VLJORLCVOAUUKM-LBPRGKRZSA-N 1 0 265.397 3.326 40 0 in-vitro CGABRO CC(C)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000027932543 368877823 /nfs/dbraw/zinc/87/78/23/368877823.db2.gz USRTXBVXDNGOSD-MRXNPFEDSA-N 1 0 287.407 3.122 40 0 CGABRO COc1ccc2ccccc2c1[C@H](C[NH3+])N1CCCCC1 ZINC000032055281 368923070 /nfs/dbraw/zinc/92/30/70/368923070.db2.gz KXFYSDUDMGNQDA-INIZCTEOSA-N 1 0 284.403 3.334 40 0 CGABRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000047219040 369309884 /nfs/dbraw/zinc/30/98/84/369309884.db2.gz KPIIVEYPTCQGJK-STQMWFEESA-N 1 0 263.381 3.315 40 0 CGABRO Cc1ccc(-c2nnc([C@H]3CC[N@H+](CC4CC4)C3)o2)cc1 ZINC000049169974 369391133 /nfs/dbraw/zinc/39/11/33/369391133.db2.gz SHRHPMZJKWOGLI-HNNXBMFYSA-N 1 0 283.375 3.244 40 0 biogenic,in-vitro CGABRO C[N@@H+]1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358360 369817882 /nfs/dbraw/zinc/81/78/82/369817882.db2.gz IQZMCBJYRVGMQV-ZDUSSCGKSA-N 1 0 271.339 3.092 40 0 CGABRO [NH3+]CC1(Cc2ccccc2C(F)(F)F)CCOCC1 ZINC000083351124 370004142 /nfs/dbraw/zinc/00/41/42/370004142.db2.gz ZBFAQHDBFSHENC-UHFFFAOYSA-N 1 0 273.298 3.003 40 0 CGABRO CNc1cc(N2CCc3cc(Cl)ccc3C2)nc(C)[nH+]1 ZINC000329070352 374399693 /nfs/dbraw/zinc/39/96/93/374399693.db2.gz ZGJAKJRFCYLVAF-UHFFFAOYSA-N 1 0 288.782 3.043 40 0 CGABRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(F)s1 ZINC000256050162 190003116 /nfs/dbraw/zinc/00/31/16/190003116.db2.gz CYXMOBKVTKIJCQ-UHFFFAOYSA-N 1 0 267.373 3.263 40 0 CGABRO c1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@H]1c1cnccn1)CO2 ZINC000257209025 190012189 /nfs/dbraw/zinc/01/21/89/190012189.db2.gz BOQRGSWHQKWTKQ-QGZVFWFLSA-N 1 0 293.370 3.090 40 0 CGABRO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2sccc2C)n1 ZINC000257229502 190016181 /nfs/dbraw/zinc/01/61/81/190016181.db2.gz FYIMGRMGQOCEDD-ZDUSSCGKSA-N 1 0 288.420 3.225 40 0 CGABRO c1ccc2ncc(CC3CC[NH+]([C@H]4CCOC4)CC3)cc2c1 ZINC000257230968 190016523 /nfs/dbraw/zinc/01/65/23/190016523.db2.gz GEQZLDFMYUGDJU-SFHVURJKSA-N 1 0 296.414 3.278 40 0 CGABRO CCCn1nccc1-c1ccc(C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000257219474 190014185 /nfs/dbraw/zinc/01/41/85/190014185.db2.gz DGXGGXCTDQOCGQ-INIZCTEOSA-N 1 0 298.434 3.239 40 0 CGABRO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)n1 ZINC000257256651 190021287 /nfs/dbraw/zinc/02/12/87/190021287.db2.gz KMJHAAFGWBQDEG-MRXNPFEDSA-N 1 0 294.402 3.199 40 0 CGABRO Cc1cc(-c2ccnn2C)nc([C@@H]2CCCC[N@H+]2C(C)C)n1 ZINC000257305043 190030057 /nfs/dbraw/zinc/03/00/57/190030057.db2.gz SOEMNVOEMKMHBC-INIZCTEOSA-N 1 0 299.422 3.121 40 0 CGABRO Cc1cc(-c2ccnn2C)nc([C@H]2CCCC[N@H+]2C(C)C)n1 ZINC000257305044 190030348 /nfs/dbraw/zinc/03/03/48/190030348.db2.gz SOEMNVOEMKMHBC-MRXNPFEDSA-N 1 0 299.422 3.121 40 0 CGABRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257340493 190036830 /nfs/dbraw/zinc/03/68/30/190036830.db2.gz ZGJMHBZSDPNBCU-QGZVFWFLSA-N 1 0 298.434 3.029 40 0 CGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)c[nH]3)C2)cc1 ZINC000257344963 190037554 /nfs/dbraw/zinc/03/75/54/190037554.db2.gz ZZKAEHWQAFGZPN-HNNXBMFYSA-N 1 0 285.391 3.106 40 0 CGABRO CCC(=O)Nc1cc(N2CCC(C)CC2)c(C)cc1N ZINC000216864989 376168620 /nfs/dbraw/zinc/16/86/20/376168620.db2.gz OVCGHHVVDOVCTK-UHFFFAOYSA-N 1 0 275.396 3.162 40 0 CGABRO CCCCOc1ccccc1[C@@H](C)[NH2+]CCOC ZINC000225160698 376297173 /nfs/dbraw/zinc/29/71/73/376297173.db2.gz JFELRCZDELFMCJ-CYBMUJFWSA-N 1 0 251.370 3.163 40 0 CGABRO [NH3+]C1(CN2CC[C@H]3CCCC[C@H]3C2)CCCCC1 ZINC000242750475 376783198 /nfs/dbraw/zinc/78/31/98/376783198.db2.gz ZOFPTYINVTXSPG-CABCVRRESA-N 1 0 250.430 3.160 40 0 CGABRO c1coc(C[N@H+]2CCC[C@H]2COc2ccccc2)c1 ZINC000093364482 249037474 /nfs/dbraw/zinc/03/74/74/249037474.db2.gz ROPNNEVXLIBHMH-AWEZNQCLSA-N 1 0 257.333 3.323 40 0 CGABRO CC(C)(C)OC(=O)n1ccc2ccc(C3([NH3+])CC3)cc21 ZINC000575629301 377923397 /nfs/dbraw/zinc/92/33/97/377923397.db2.gz OZNXULLYBGZDLF-UHFFFAOYSA-N 1 0 272.348 3.372 40 0 CGABRO CC1CC[NH+](C[C@@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000004018953 184528624 /nfs/dbraw/zinc/52/86/24/184528624.db2.gz FJHWBIQXBLWHIE-BBWFWOEESA-N 1 0 297.483 3.311 40 0 CGABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216093 285262085 /nfs/dbraw/zinc/26/20/85/285262085.db2.gz LDIARBLEWKFEPN-OAHLLOKOSA-N 1 0 259.397 3.229 40 0 CGABRO COc1cccc(C=O)c1OCCCC[NH+]1CCCCC1 ZINC000217792274 533442869 /nfs/dbraw/zinc/44/28/69/533442869.db2.gz QDWWYRHEDLPIBZ-UHFFFAOYSA-N 1 0 291.391 3.153 40 0 CGABRO CCc1nc2c(c(NN)[nH+]1)C1(CCCC1)Cc1ccccc1-2 ZINC000000295394 391907908 /nfs/dbraw/zinc/90/79/08/391907908.db2.gz YQWJUOJXRDDHEO-UHFFFAOYSA-N 1 0 294.402 3.360 40 0 CGABRO CCOC(=O)c1[nH]c2ccccc2c1[C@@H]([NH3+])c1ccccc1 ZINC000004202852 391918458 /nfs/dbraw/zinc/91/84/58/391918458.db2.gz WZNIJQBJCYBLMH-INIZCTEOSA-N 1 0 294.354 3.393 40 0 CGABRO C[N@@H+]1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214303 392198524 /nfs/dbraw/zinc/19/85/24/392198524.db2.gz AKLMETJRMVBGSA-LBPRGKRZSA-N 1 0 277.368 3.195 40 0 CGABRO CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1C ZINC000072214483 392198642 /nfs/dbraw/zinc/19/86/42/392198642.db2.gz BUVCPTNWBRLHEV-ZDUSSCGKSA-N 1 0 291.395 3.220 40 0 CGABRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2)cnc1N ZINC000072218430 392200271 /nfs/dbraw/zinc/20/02/71/392200271.db2.gz BGPKIXQFKWCCHE-MRXNPFEDSA-N 1 0 267.376 3.309 40 0 CGABRO CCN(CC)c1cc(C)c([C@@H]([NH3+])c2ccccc2)cn1 ZINC000072223271 392203198 /nfs/dbraw/zinc/20/31/98/392203198.db2.gz XHMNXPNRNLCBML-KRWDZBQOSA-N 1 0 269.392 3.284 40 0 CGABRO C[C@@H]([NH3+])c1cc2ccccc2n1C(=O)OC(C)(C)C ZINC000096509780 392256374 /nfs/dbraw/zinc/25/63/74/392256374.db2.gz GATBGTUXYHUJOS-SNVBAGLBSA-N 1 0 260.337 3.444 40 0 CGABRO C[C@@H](Cc1ccccc1)[N@H+](C)C[C@H]1C(=O)[C@H]2CC[C@@H]1C2 ZINC000005048632 170060827 /nfs/dbraw/zinc/06/08/27/170060827.db2.gz GSYMIHNIKDTMFJ-PQEBFOHHSA-N 1 0 271.404 3.165 40 0 CGABRO CCCCC[C@@H](C)[NH2+]CC(=O)Nc1ccccc1C ZINC000005973287 170164187 /nfs/dbraw/zinc/16/41/87/170164187.db2.gz DUFLNWUSGJBRFK-CQSZACIVSA-N 1 0 262.397 3.492 40 0 CGABRO COc1ccc(CC[C@@H]([NH3+])c2ccc(OC)cc2)cc1 ZINC000006484276 170204772 /nfs/dbraw/zinc/20/47/72/170204772.db2.gz VXDVLNWUZYTSCT-QGZVFWFLSA-N 1 0 271.360 3.336 40 0 CGABRO CC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000006497331 170207162 /nfs/dbraw/zinc/20/71/62/170207162.db2.gz JPSPPTHEEOJXNI-UHFFFAOYSA-N 1 0 271.360 3.384 40 0 CGABRO [NH2+]=C1N=C(c2cc(Cl)ccc2O)C[C@@H](c2ccccc2)N1 ZINC000008655572 170344214 /nfs/dbraw/zinc/34/42/14/170344214.db2.gz MTSFRTBCIQTEBZ-ZDUSSCGKSA-N 1 0 299.761 3.294 40 0 CGABRO CCCC[NH2+]Cc1cccn1-c1ccccc1OC ZINC000010003969 170394989 /nfs/dbraw/zinc/39/49/89/170394989.db2.gz OSUVMFPZKTZLMZ-UHFFFAOYSA-N 1 0 258.365 3.376 40 0 CGABRO Cc1cccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019789544 170867402 /nfs/dbraw/zinc/86/74/02/170867402.db2.gz HTTKOPRCEBLRIR-HOJAQTOUSA-N 1 0 296.458 3.325 40 0 CGABRO Fc1cccc(Cc2cccc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000072356421 176375625 /nfs/dbraw/zinc/37/56/25/176375625.db2.gz AIDSEKPCANCAAC-HNNXBMFYSA-N 1 0 256.324 3.236 40 0 CGABRO Fc1ccc2c(c1)C1(C[C@@H]2OCC2CC2)CC[NH2+]CC1 ZINC000096241690 265345842 /nfs/dbraw/zinc/34/58/42/265345842.db2.gz AYGZZKRUIAMILE-INIZCTEOSA-N 1 0 275.367 3.318 40 0 CGABRO COc1ccc2[nH+]c(-c3ccccc3)cc(N)c2c1 ZINC000019721743 274141691 /nfs/dbraw/zinc/14/16/91/274141691.db2.gz AGKVNSXAYWJYGR-UHFFFAOYSA-N 1 0 250.301 3.493 40 0 CGABRO CC(C)N1CC2(CC[NH+](C)CC2)c2cc(F)ccc21 ZINC000096261809 275625646 /nfs/dbraw/zinc/62/56/46/275625646.db2.gz XPEMRCPIMDNJAU-UHFFFAOYSA-N 1 0 262.372 3.018 40 0 CGABRO C[N@@H+]1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000049169091 277173883 /nfs/dbraw/zinc/17/38/83/277173883.db2.gz LWJGGVGLWDLQIK-QMMMGPOBSA-N 1 0 269.270 3.001 40 0 biogenic,in-vitro CGABRO CN1CCc2c1[nH+]c(-c1ccc(Cl)cc1)c1c2N(C)CC1 ZINC000001616083 277187150 /nfs/dbraw/zinc/18/71/50/277187150.db2.gz NYUDTRIWNVFCSS-UHFFFAOYSA-N 1 0 299.805 3.387 40 0 CGABRO Cc1cc(N2CCc3ccccc32)ncc1[C@H](C)[NH3+] ZINC000072223950 280581064 /nfs/dbraw/zinc/58/10/64/280581064.db2.gz VDRRVHANCKAOGY-LBPRGKRZSA-N 1 0 253.349 3.104 40 0 CGABRO CN(C)CC[N@@H+]1C[C@H]2Cc3ccccc3[C@@H]1c1ccccc12 ZINC000019364663 289160038 /nfs/dbraw/zinc/16/00/38/289160038.db2.gz MXADPIROBQAHCF-OXQOHEQNSA-N 1 0 292.426 3.293 40 0 CGABRO Cc1ncc(C[NH2+][C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)cn1 ZINC000247923467 334291499 /nfs/dbraw/zinc/29/14/99/334291499.db2.gz AGRNACYLOPFGLV-AKHDSKFASA-N 1 0 293.414 3.457 40 0 CGABRO CC(C)(C)OC(=O)n1c2ccccc2cc1C1([NH3+])CC1 ZINC000575629331 570350462 /nfs/dbraw/zinc/35/04/62/570350462.db2.gz QPMMPFQXJSAYOV-UHFFFAOYSA-N 1 0 272.348 3.372 40 0 CGABRO Cc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC000013964188 640971564 /nfs/dbraw/zinc/97/15/64/640971564.db2.gz BMQYNJGQHUCHOZ-OAHLLOKOSA-N 1 0 289.423 3.299 40 0 CGABRO C[C@H]1CO[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000096073306 185088121 /nfs/dbraw/zinc/08/81/21/185088121.db2.gz KTYKHZUYFLNWKG-NVXWUHKLSA-N 1 0 259.393 3.120 40 0 CGABRO C[N@@H+]1CC[C@@H](OCc2ccncc2)[C@@H](Cc2ccccc2)C1 ZINC000096110314 185101186 /nfs/dbraw/zinc/10/11/86/185101186.db2.gz PHAQLPBOQWWQPH-RBUKOAKNSA-N 1 0 296.414 3.161 40 0 CGABRO CCCC[NH2+]Cc1cccn1-c1ccc(OC)cc1 ZINC000113704158 186591214 /nfs/dbraw/zinc/59/12/14/186591214.db2.gz TXBVAYJWFRTMIQ-UHFFFAOYSA-N 1 0 258.365 3.376 40 0 CGABRO Fc1cccc(F)c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121283990 370848471 /nfs/dbraw/zinc/84/84/71/370848471.db2.gz RWXWFBRLKRIMNI-NSHDSACASA-N 1 0 277.318 3.068 40 0 CGABRO CC[NH2+]CCC[C@H](C)Nc1cc(OC)cc2cccnc21 ZINC000002042692 368444407 /nfs/dbraw/zinc/44/44/07/368444407.db2.gz UEWXIZBKAUNLJF-ZDUSSCGKSA-N 1 0 287.407 3.434 40 0 CGABRO COc1ccc(CC[C@H]([NH3+])c2ccc(OC)cc2)cc1 ZINC000001665766 368427773 /nfs/dbraw/zinc/42/77/73/368427773.db2.gz VXDVLNWUZYTSCT-KRWDZBQOSA-N 1 0 271.360 3.336 40 0 CGABRO CC(C)(C)c1cc2cc(N)ccc2n1C1CC[NH2+]CC1 ZINC000002525707 368459894 /nfs/dbraw/zinc/45/98/94/368459894.db2.gz RHQZOIJOIJQCON-UHFFFAOYSA-N 1 0 271.408 3.446 40 0 CGABRO Cc1c2ccccc2oc1C(=O)O[C@H](C)CC[NH+](C)C ZINC000003066416 368489351 /nfs/dbraw/zinc/48/93/51/368489351.db2.gz VPHHSHONAAVEJM-LLVKDONJSA-N 1 0 275.348 3.238 40 0 CGABRO CC(C)(C)c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000010450000 368582687 /nfs/dbraw/zinc/58/26/87/368582687.db2.gz QDDXOISVAOYXNH-UHFFFAOYSA-N 1 0 288.435 3.200 40 0 CGABRO NC(=[NH2+])S[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000017327884 368731827 /nfs/dbraw/zinc/73/18/27/368731827.db2.gz AOFSDZCUCXKNOZ-UONOGXRCSA-N 1 0 272.373 3.088 40 0 CGABRO Fc1ccccc1CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019349155 368748389 /nfs/dbraw/zinc/74/83/89/368748389.db2.gz PINDRGIBDITAQC-DAYGRLMNSA-N 1 0 288.410 3.132 40 0 CGABRO CC[NH+](CC)CCN(C)Cc1cc2ccccc2o1 ZINC000022927766 368814542 /nfs/dbraw/zinc/81/45/42/368814542.db2.gz XDMVRDPLYVMMOF-UHFFFAOYSA-N 1 0 260.381 3.206 40 0 CGABRO O=Cc1cccc(OCCC[NH+]2CCCCCC2)c1 ZINC000033421443 368964211 /nfs/dbraw/zinc/96/42/11/368964211.db2.gz MDGMVQAZFGFPIL-UHFFFAOYSA-N 1 0 261.365 3.144 40 0 CGABRO CC(C)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000035818582 369005039 /nfs/dbraw/zinc/00/50/39/369005039.db2.gz XVCRKNWXXKFTGL-UHFFFAOYSA-N 1 0 274.408 3.057 40 0 CGABRO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)o1 ZINC000049169173 369391217 /nfs/dbraw/zinc/39/12/17/369391217.db2.gz TVNJNNBPRBWNLQ-LBPRGKRZSA-N 1 0 277.755 3.021 40 0 biogenic,in-vitro CGABRO c1cnc2[nH]c([C@H]3CC[N@@H+](CC4CCCCC4)C3)nc2c1 ZINC000049168791 369391302 /nfs/dbraw/zinc/39/13/02/369391302.db2.gz YWZDCCAMBWWCFD-AWEZNQCLSA-N 1 0 284.407 3.328 40 0 biogenic,in-vitro CGABRO CC(C)[NH2+][C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079437258 369968617 /nfs/dbraw/zinc/96/86/17/369968617.db2.gz OMQCCLGWHQLMJN-JKSUJKDBSA-N 1 0 290.407 3.222 40 0 CGABRO CC(C)[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096073251 370204009 /nfs/dbraw/zinc/20/40/09/370204009.db2.gz GBJPLBMBBLKMJF-HNNXBMFYSA-N 1 0 263.381 3.307 40 0 CGABRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+]CC2CCC2)CC1 ZINC000238192468 189900658 /nfs/dbraw/zinc/90/06/58/189900658.db2.gz OIPIXXMRLUTIJH-HDJSIYSDSA-N 1 0 282.428 3.212 40 0 CGABRO CCCn1cc(C[NH2+]Cc2cccc(F)c2)c(C)n1 ZINC000256049575 190002566 /nfs/dbraw/zinc/00/25/66/190002566.db2.gz AMMQVWCMRAVQNC-UHFFFAOYSA-N 1 0 261.344 3.030 40 0 CGABRO Cc1cnc(C2(C)CC[NH+](Cc3[nH]cnc3C)CC2)s1 ZINC000257288131 190027059 /nfs/dbraw/zinc/02/70/59/190027059.db2.gz PSZIRGDCCAGLBM-UHFFFAOYSA-N 1 0 290.436 3.037 40 0 CGABRO CCc1onc(C)c1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000257286027 190027140 /nfs/dbraw/zinc/02/71/40/190027140.db2.gz PJWXRMNKQUMTAN-UHFFFAOYSA-N 1 0 271.364 3.074 40 0 CGABRO c1ccc(C[C@@H]2C[NH2+]CC[C@@H]2Nc2ccccc2)cc1 ZINC000257300791 190029807 /nfs/dbraw/zinc/02/98/07/190029807.db2.gz RVROUZJVWQDDKB-AEFFLSMTSA-N 1 0 266.388 3.319 40 0 CGABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000257302196 190030581 /nfs/dbraw/zinc/03/05/81/190030581.db2.gz SBXBNKUCTGUTIF-OAHLLOKOSA-N 1 0 280.375 3.189 40 0 CGABRO CCC(CC)N1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000196367960 376118966 /nfs/dbraw/zinc/11/89/66/376118966.db2.gz DDWDAWLJRHKZHU-ARFHVFGLSA-N 1 0 262.441 3.005 40 0 CGABRO COc1ccc(CN(CC[NH+](C)C)Cc2ccccc2)cc1 ZINC000199425372 376123587 /nfs/dbraw/zinc/12/35/87/376123587.db2.gz YEISFTKGOCZGDQ-UHFFFAOYSA-N 1 0 298.430 3.259 40 0 CGABRO C1CCC(O[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@H]3CCC[C@H]32)C1 ZINC000242649079 376782710 /nfs/dbraw/zinc/78/27/10/376782710.db2.gz RUBZSLWQDHSQAX-XWTMOSNGSA-N 1 0 292.467 3.083 40 0 CGABRO C[C@@H]1CCCN([C@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000251580371 377589120 /nfs/dbraw/zinc/58/91/20/377589120.db2.gz AZSNIQWQHVUQLA-BXUZGUMPSA-N 1 0 252.789 3.072 40 0 CGABRO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3ccsc3)C2)n1 ZINC000257330723 377795128 /nfs/dbraw/zinc/79/51/28/377795128.db2.gz XPPWJNYWVFTHQZ-ZDUSSCGKSA-N 1 0 261.394 3.159 40 0 CGABRO [NH3+]Cc1cc2cc(Br)ccc2nc1Cl ZINC000259304528 542354967 /nfs/dbraw/zinc/35/49/67/542354967.db2.gz JPNWFSWNKOAXGD-UHFFFAOYSA-N 1 0 271.545 3.109 40 0 CGABRO C[C@H]1CCCN([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000022172217 391944513 /nfs/dbraw/zinc/94/45/13/391944513.db2.gz XRGUJSFMOCLWLG-FZMZJTMJSA-N 1 0 286.341 3.437 40 0 CGABRO Cc1cc(N2CCCCC2)ncc1C1=[NH+]CCCC1 ZINC000072219231 392200637 /nfs/dbraw/zinc/20/06/37/392200637.db2.gz ZSYHJANKJJZNQE-UHFFFAOYSA-N 1 0 257.381 3.353 40 0 CGABRO Cc1nc(N2CCCc3ccccc32)ccc1[C@@H](C)[NH3+] ZINC000072224964 392204503 /nfs/dbraw/zinc/20/45/03/392204503.db2.gz LTEJKIYLIWSWAP-GFCCVEGCSA-N 1 0 267.376 3.494 40 0 CGABRO CC(C)(C)Nc1ccc([C@H]([NH3+])c2ccccc2)cn1 ZINC000072225839 392204863 /nfs/dbraw/zinc/20/48/63/392204863.db2.gz LPQROALEPDPHEO-OAHLLOKOSA-N 1 0 255.365 3.340 40 0 CGABRO Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082323879 392223039 /nfs/dbraw/zinc/22/30/39/392223039.db2.gz OOAOQYUOZFELGT-CQSZACIVSA-N 1 0 274.408 3.399 40 0 CGABRO CC(C)c1nc2ccccc2n1C[C@H]1CCCC[NH2+]1 ZINC000096510516 392257790 /nfs/dbraw/zinc/25/77/90/392257790.db2.gz BPJGVYVWSLWPLQ-CYBMUJFWSA-N 1 0 257.381 3.302 40 0 CGABRO CC(C)CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000005817253 170142717 /nfs/dbraw/zinc/14/27/17/170142717.db2.gz RQAJYWASSLDISO-UHFFFAOYSA-N 1 0 260.381 3.267 40 0 CGABRO C[C@@H](CCC[NH3+])Nc1ccnc2cc(Cl)ccc21 ZINC000006020572 170169228 /nfs/dbraw/zinc/16/92/28/170169228.db2.gz GYEDIFVVTRKXHP-JTQLQIEISA-N 1 0 263.772 3.428 40 0 in-vitro CGABRO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000006055947 170172672 /nfs/dbraw/zinc/17/26/72/170172672.db2.gz HAOASDQKFXFZSW-KRWDZBQOSA-N 1 0 291.435 3.308 40 0 CGABRO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCCCC1 ZINC000006617278 170219217 /nfs/dbraw/zinc/21/92/17/170219217.db2.gz OHDMBSYWCBGUMT-KONPQCLYSA-N 1 0 295.467 3.065 40 0 CGABRO CCCCCC[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000007260984 170273710 /nfs/dbraw/zinc/27/37/10/170273710.db2.gz IYKIQZJXDJCDRF-UHFFFAOYSA-N 1 0 281.396 3.382 40 0 CGABRO CC[C@H]1CCCC[N@@H+]1CCOc1ccccc1C=O ZINC000020131615 171020158 /nfs/dbraw/zinc/02/01/58/171020158.db2.gz GMQXTQDCFHLWPU-HNNXBMFYSA-N 1 0 261.365 3.142 40 0 CGABRO Cc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)c(C(C)(C)C)c1 ZINC000026781089 171499141 /nfs/dbraw/zinc/49/91/41/171499141.db2.gz JIHBOMJEZQHCJN-CQSZACIVSA-N 1 0 293.451 3.420 40 0 CGABRO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000034397258 171838692 /nfs/dbraw/zinc/83/86/92/171838692.db2.gz XFESHQNKLZLTHP-QEJZJMRPSA-N 1 0 261.365 3.069 40 0 CGABRO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000037530315 173252748 /nfs/dbraw/zinc/25/27/48/173252748.db2.gz GUZAMDMFRDCEJA-ZQIUZPCESA-N 1 0 291.435 3.021 40 0 CGABRO C[C@@H]1C[N@@H+](Cc2c3cccnc3[nH]c2C2CC2)C[C@H](C)O1 ZINC000072398465 176396369 /nfs/dbraw/zinc/39/63/69/176396369.db2.gz ZHRCOQSHJCKLMB-TXEJJXNPSA-N 1 0 285.391 3.050 40 0 CGABRO CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1c(C)cc(O)cc1C ZINC000030731128 276005166 /nfs/dbraw/zinc/00/51/66/276005166.db2.gz BWDXZCNWLNJBBI-HNNXBMFYSA-N 1 0 290.407 3.212 40 0 in-vitro CGABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213781 277394971 /nfs/dbraw/zinc/39/49/71/277394971.db2.gz UTPADXRTRZFZKM-OAHLLOKOSA-N 1 0 259.397 3.449 40 0 CGABRO FC(F)(F)c1ccc(N2CC[NH2+][C@@H]3CCC[C@H]32)cc1 ZINC000218848231 333137277 /nfs/dbraw/zinc/13/72/77/333137277.db2.gz ONTIEQYSBBOIJQ-CHWSQXEVSA-N 1 0 270.298 3.036 40 0 CGABRO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000367704556 527534944 /nfs/dbraw/zinc/53/49/44/527534944.db2.gz OXLUPQOMIPTFBA-OKACTXMXSA-N 1 0 281.403 3.313 40 0 CGABRO CO[C@@H]1CC[N@H+](Cc2ccoc2)C[C@@H]1Cc1ccccc1 ZINC000096110150 185101031 /nfs/dbraw/zinc/10/10/31/185101031.db2.gz VYVTZSODRBQMKQ-ZWKOTPCHSA-N 1 0 285.387 3.359 40 0 CGABRO Cc1ncc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3[C@@H]2c2ccccc2)cn1 ZINC000019287272 282157386 /nfs/dbraw/zinc/15/73/86/282157386.db2.gz AGRNACYLOPFGLV-RDGPPVDQSA-N 1 0 293.414 3.457 40 0 CGABRO Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000205674126 346283142 /nfs/dbraw/zinc/28/31/42/346283142.db2.gz HMSDKEHUNWRCTA-LBPRGKRZSA-N 1 0 261.394 3.159 40 0 CGABRO Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000205674110 346283283 /nfs/dbraw/zinc/28/32/83/346283283.db2.gz HMSDKEHUNWRCTA-GFCCVEGCSA-N 1 0 261.394 3.159 40 0 CGABRO CCOCC[C@H]1CCOC12CC[NH+](Cc1ccoc1)CC2 ZINC000585105461 346724637 /nfs/dbraw/zinc/72/46/37/346724637.db2.gz WZTQUGOLEUZFIO-INIZCTEOSA-N 1 0 293.407 3.077 40 0 CGABRO COc1ccc(Cl)cc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000218863806 376191690 /nfs/dbraw/zinc/19/16/90/376191690.db2.gz WVRSTKHYYCENAQ-MNOVXSKESA-N 1 0 254.761 3.030 40 0 CGABRO CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c(Cl)c1 ZINC000000001409 368269790 /nfs/dbraw/zinc/26/97/90/368269790.db2.gz PXLPCZJACKUXGP-UHFFFAOYSA-N 1 0 283.162 3.177 40 0 in-man CGABRO CC(C)CC[NH2+][C@H](C)[C@@H](C)OC(=O)c1ccccc1 ZINC000001669892 368428555 /nfs/dbraw/zinc/42/85/55/368428555.db2.gz MYABYHYFAJCXMS-ZIAGYGMSSA-N 1 0 263.381 3.256 40 0 CGABRO CC[N@H+](CCO)C1c2ccccc2-c2ccccc21 ZINC000001670030 368429077 /nfs/dbraw/zinc/42/90/77/368429077.db2.gz LDYTZWPTHCIHBT-UHFFFAOYSA-N 1 0 253.345 3.071 40 0 CGABRO CCC[C@@H](C)CCC[NH2+]CCOC(=O)c1cccc(N)c1 ZINC000001710554 368434699 /nfs/dbraw/zinc/43/46/99/368434699.db2.gz AZWRNFCMWLWQOE-CQSZACIVSA-N 1 0 292.423 3.232 40 0 CGABRO C[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000016349237 368711965 /nfs/dbraw/zinc/71/19/65/368711965.db2.gz XXYIXHDSRLIPTB-UHFFFAOYSA-N 1 0 271.360 3.302 40 0 CGABRO C[C@H](C[NH2+]Cc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC000047219127 369309996 /nfs/dbraw/zinc/30/99/96/369309996.db2.gz ZACBLEWJXRHYNE-LLVKDONJSA-N 1 0 283.799 3.407 40 0 CGABRO C[C@@H](C[NH2+]CCCc1ccccc1)C(=O)OC(C)(C)C ZINC000047219112 369310363 /nfs/dbraw/zinc/31/03/63/369310363.db2.gz WLEMRXGGHCFSAN-AWEZNQCLSA-N 1 0 277.408 3.187 40 0 CGABRO Cc1cc(=S)[nH]cc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072218324 369815025 /nfs/dbraw/zinc/81/50/25/369815025.db2.gz DHLWOVZWOWNGMB-CYBMUJFWSA-N 1 0 250.411 3.472 40 0 CGABRO Cc1cc([C@H]2CCC[N@H+]2CC(C)C)cnc1N(C)C ZINC000072218624 369815698 /nfs/dbraw/zinc/81/56/98/369815698.db2.gz ICCYBXUDVQPWME-OAHLLOKOSA-N 1 0 261.413 3.249 40 0 CGABRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(Cl)cc1)C2 ZINC000096268549 370209426 /nfs/dbraw/zinc/20/94/26/370209426.db2.gz HAIFWKXAQYYLJL-INIZCTEOSA-N 1 0 278.827 3.258 40 0 CGABRO CCc1ccc2c(C3C[NH+](CC4CCC4)C3)ncn2c1 ZINC000096260730 370209483 /nfs/dbraw/zinc/20/94/83/370209483.db2.gz KKKZERJMJHBMOK-UHFFFAOYSA-N 1 0 269.392 3.096 40 0 CGABRO [NH3+]C[C@H]1CCCCN1Cc1ccc(Cl)cc1Cl ZINC000096319822 370210142 /nfs/dbraw/zinc/21/01/42/370210142.db2.gz ZXYQKGZHHBBGSC-GFCCVEGCSA-N 1 0 273.207 3.307 40 0 CGABRO CC(C)(C)C[NH2+]C[C@H]1Cn2c(-c3ccccc3)cnc2CO1 ZINC000096269366 370208404 /nfs/dbraw/zinc/20/84/04/370208404.db2.gz ZXHCNLXMZWLLFM-HNNXBMFYSA-N 1 0 299.418 3.085 40 0 biogenic,in-vitro CGABRO CC[C@@H](C)n1nccc1C[NH2+]CCc1ccccc1 ZINC000256052063 190004510 /nfs/dbraw/zinc/00/45/10/190004510.db2.gz LTEYPURNYYQATD-CQSZACIVSA-N 1 0 257.381 3.186 40 0 CGABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000257200965 190010446 /nfs/dbraw/zinc/01/04/46/190010446.db2.gz AFNZXEDPAGBDKG-AWEZNQCLSA-N 1 0 280.375 3.189 40 0 CGABRO C[N@@H+]1CCC[C@@H](c2cnc(Cc3ccccc3F)cn2)C1 ZINC000257209484 190012186 /nfs/dbraw/zinc/01/21/86/190012186.db2.gz BQOSWEDZBDVRFO-CQSZACIVSA-N 1 0 285.366 3.016 40 0 CGABRO CCOCCC[NH2+]Cc1cc2cccc(CC)c2[nH]c1=O ZINC000257220756 190014634 /nfs/dbraw/zinc/01/46/34/190014634.db2.gz DMAAEURFYMBLOE-UHFFFAOYSA-N 1 0 288.391 3.019 40 0 CGABRO Cc1cc(-c2cccc(CC3CC[NH+](C(C)C)CC3)n2)n[nH]1 ZINC000257250817 190020081 /nfs/dbraw/zinc/02/00/81/190020081.db2.gz JOCYDMOKSCWKBT-UHFFFAOYSA-N 1 0 298.434 3.443 40 0 CGABRO CC[C@@H]([NH2+]CC(C)C)c1cccc(OC)c1OC ZINC000222637819 376241209 /nfs/dbraw/zinc/24/12/09/376241209.db2.gz IRPXRGXHLTVDHT-CYBMUJFWSA-N 1 0 251.370 3.401 40 0 CGABRO COCCC[NH2+]Cc1cccn1-c1cccc(C)c1C ZINC000223680690 376258741 /nfs/dbraw/zinc/25/87/41/376258741.db2.gz GEAPZKAPWBPIFU-UHFFFAOYSA-N 1 0 272.392 3.220 40 0 CGABRO COCC[NH2+]Cc1cc(C)n(C2CCCCC2)c1C ZINC000223677029 376259107 /nfs/dbraw/zinc/25/91/07/376259107.db2.gz UESOIQPQZXSYNR-UHFFFAOYSA-N 1 0 264.413 3.346 40 0 CGABRO CC(C)[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000225205466 376298843 /nfs/dbraw/zinc/29/88/43/376298843.db2.gz JHQDKDMQLDRIKF-HNNXBMFYSA-N 1 0 288.435 3.447 40 0 CGABRO CC[NH+]1CCN(c2ccc(SC(C)(C)C)cn2)CC1 ZINC000072225558 256703170 /nfs/dbraw/zinc/70/31/70/256703170.db2.gz JZLYNBHQRQJXKK-UHFFFAOYSA-N 1 0 279.453 3.114 40 0 CGABRO OC[C@@H](c1cccc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000070453054 392183966 /nfs/dbraw/zinc/18/39/66/392183966.db2.gz QPUVTGNDAKJEMI-ZDUSSCGKSA-N 1 0 273.298 3.225 40 0 CGABRO Nc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072212443 392197621 /nfs/dbraw/zinc/19/76/21/392197621.db2.gz QYOUQLLGDDWKAA-INIZCTEOSA-N 1 0 267.376 3.391 40 0 CGABRO c1ccc(COc2ccc([C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000072212001 392197850 /nfs/dbraw/zinc/19/78/50/392197850.db2.gz DFAFOPUJPSTLNF-HNNXBMFYSA-N 1 0 254.333 3.085 40 0 CGABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213721 392199058 /nfs/dbraw/zinc/19/90/58/392199058.db2.gz HSCRDEAPPJFXFJ-OAHLLOKOSA-N 1 0 259.397 3.449 40 0 CGABRO C[N@@H+]1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216627 392200663 /nfs/dbraw/zinc/20/06/63/392200663.db2.gz FFRHSDIQUKSPAE-OAHLLOKOSA-N 1 0 259.397 3.229 40 0 CGABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1Br ZINC000072221924 392201842 /nfs/dbraw/zinc/20/18/42/392201842.db2.gz LXTHAIGPIADPJN-GFCCVEGCSA-N 1 0 277.165 3.201 40 0 CGABRO C[NH2+]Cc1cnc(N2CCCc3ccccc32)cc1C ZINC000072223929 392203205 /nfs/dbraw/zinc/20/32/05/392203205.db2.gz HXCLRUDRTURPSP-UHFFFAOYSA-N 1 0 267.376 3.194 40 0 CGABRO Cc1nc(N2CCCC2)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224527 392204331 /nfs/dbraw/zinc/20/43/31/392204331.db2.gz DBDUYVHONBSTTL-QGZVFWFLSA-N 1 0 267.376 3.038 40 0 CGABRO C[NH+](C)CC[C@@H](c1ccccc1)[C@H](CO)c1ccccc1 ZINC000001557240 397602762 /nfs/dbraw/zinc/60/27/62/397602762.db2.gz HKNDXZDSLQGSCE-RBUKOAKNSA-N 1 0 283.415 3.498 40 0 CGABRO CC[C@@H](O)[C@](CC[NH+](C)C)(c1ccccc1)c1ccccn1 ZINC000001608632 286949121 /nfs/dbraw/zinc/94/91/21/286949121.db2.gz UTGQILSIZRLVAD-RTBURBONSA-N 1 0 298.430 3.090 40 0 CGABRO O=C(CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(O)cc1 ZINC000004934879 170042278 /nfs/dbraw/zinc/04/22/78/170042278.db2.gz PTWNVIAULWFEML-KBPBESRZSA-N 1 0 273.376 3.087 40 0 CGABRO C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccccc1 ZINC000005722994 170133299 /nfs/dbraw/zinc/13/32/99/170133299.db2.gz KCGKAZUFEIHZOP-QAPCUYQASA-N 1 0 269.388 3.331 40 0 CGABRO [NH3+]CCc1c2cccc(Cl)c2[nH]c1-c1ccccn1 ZINC000006733576 170236427 /nfs/dbraw/zinc/23/64/27/170236427.db2.gz NSMTWELGBQDEQK-UHFFFAOYSA-N 1 0 271.751 3.385 40 0 CGABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CC)CO ZINC000008326305 170331237 /nfs/dbraw/zinc/33/12/37/170331237.db2.gz UTDIICDUBHHJJG-NSHDSACASA-N 1 0 292.206 3.253 40 0 CGABRO CCc1ccc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000008767595 170354818 /nfs/dbraw/zinc/35/48/18/170354818.db2.gz VMDAXPFTCFMPFN-UXLLHSPISA-N 1 0 291.435 3.252 40 0 CGABRO Cc1ncc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3[C@@H]2c2ccccc2)cn1 ZINC000019287271 170773191 /nfs/dbraw/zinc/77/31/91/170773191.db2.gz AGRNACYLOPFGLV-ZSYWTGECSA-N 1 0 293.414 3.457 40 0 CGABRO c1c([C@@H]2CCCCC[NH2+]2)noc1-c1ccc2c(c1)OCO2 ZINC000019346361 170776223 /nfs/dbraw/zinc/77/62/23/170776223.db2.gz DRZXMKVBTJXTMR-LBPRGKRZSA-N 1 0 286.331 3.275 40 0 CGABRO CCCC[NH2+]Cc1ccc(OCCC)c(OC)c1 ZINC000020930981 171281022 /nfs/dbraw/zinc/28/10/22/171281022.db2.gz CKQSSSVANRQVJI-UHFFFAOYSA-N 1 0 251.370 3.374 40 0 CGABRO CC[C@](CO)([NH2+]Cc1ccccc1)c1ccccc1 ZINC000038110850 174122684 /nfs/dbraw/zinc/12/26/84/174122684.db2.gz YUWOWSIPHMTMCC-QGZVFWFLSA-N 1 0 255.361 3.074 40 0 in-vitro CGABRO CC(C)[NH+]1CCC(O)(c2cccc(Cl)c2)CC1 ZINC000044568337 175209165 /nfs/dbraw/zinc/20/91/65/175209165.db2.gz JFYPKBIFWSYDTK-UHFFFAOYSA-N 1 0 253.773 3.032 40 0 CGABRO CC(C)(C)OC(=O)N1CCC([C@@H]([NH3+])c2ccccc2)CC1 ZINC000071646793 176240116 /nfs/dbraw/zinc/24/01/16/176240116.db2.gz WTARUKRBKMNNAD-HNNXBMFYSA-N 1 0 290.407 3.334 40 0 CGABRO CCCc1nc(-c2ccc3c(c2)C[NH2+]CC3)cs1 ZINC000072226556 176343455 /nfs/dbraw/zinc/34/34/55/176343455.db2.gz ZFROJVXOOLOHQY-UHFFFAOYSA-N 1 0 258.390 3.408 40 0 CGABRO Cc1cc(Cc2ccccc2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072354406 176374645 /nfs/dbraw/zinc/37/46/45/176374645.db2.gz AYUOKNICEACXLO-KRWDZBQOSA-N 1 0 266.388 3.448 40 0 CGABRO Cc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](C)C2)c1 ZINC000072358359 176376467 /nfs/dbraw/zinc/37/64/67/176376467.db2.gz RYBIMNTZYSXCTF-HNNXBMFYSA-N 1 0 267.376 3.261 40 0 CGABRO c1cc2cc(C[N@@H+]3CCC[C@@H](c4cnccn4)C3)ccc2[nH]1 ZINC000072364593 176379585 /nfs/dbraw/zinc/37/95/85/176379585.db2.gz GNKPJUXWPDXGKJ-MRXNPFEDSA-N 1 0 292.386 3.338 40 0 CGABRO c1cncc(CNc2cccc(C[C@@H]3CCC[NH2+]CC3)n2)c1 ZINC000072364737 176380195 /nfs/dbraw/zinc/38/01/95/176380195.db2.gz JRKPLCYIBPSUBI-OAHLLOKOSA-N 1 0 296.418 3.021 40 0 CGABRO COc1cccc(-c2cc([C@H]3CCC[NH2+]3)ccn2)c1 ZINC000072386792 176392284 /nfs/dbraw/zinc/39/22/84/176392284.db2.gz KAVASJJOMXZCQB-OAHLLOKOSA-N 1 0 254.333 3.182 40 0 CGABRO CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1c(C)ccc(N)c1C ZINC000077271430 177247237 /nfs/dbraw/zinc/24/72/37/177247237.db2.gz KMKVPTQSHPZTAQ-HNNXBMFYSA-N 1 0 289.423 3.089 40 0 in-vitro CGABRO Cc1ccc2[nH]c([C@H]3CC[N@@H+](C4CCC4)C3)nc2c1 ZINC000035446549 281162726 /nfs/dbraw/zinc/16/27/26/281162726.db2.gz ZFHFEODIKXUBJA-LBPRGKRZSA-N 1 0 255.365 3.213 40 0 biogenic,in-vitro CGABRO CCCNc1ncc(C[NH2+]C2CCCCCC2)cn1 ZINC000062717702 333176215 /nfs/dbraw/zinc/17/62/15/333176215.db2.gz WPTVITWSFXSBMU-UHFFFAOYSA-N 1 0 262.401 3.111 40 0 CGABRO CC[NH+](CC)Cc1ccc(F)c(Br)c1 ZINC000042340412 617645314 /nfs/dbraw/zinc/64/53/14/617645314.db2.gz AXJLCLSBXOJIQZ-UHFFFAOYSA-N 1 0 260.150 3.430 40 0 CGABRO C[C@H](CNC(=O)Nc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000013964806 640971508 /nfs/dbraw/zinc/97/15/08/640971508.db2.gz YJRLCZXKKPWXBA-GFCCVEGCSA-N 1 0 295.814 3.336 40 0 CGABRO C[C@]12CCC[N@H+](Cc3ccccc3)[C@H]1CCCC2=O ZINC000095951583 185039992 /nfs/dbraw/zinc/03/99/92/185039992.db2.gz UHHJPFURMOOFJW-RDJZCZTQSA-N 1 0 257.377 3.410 40 0 CGABRO CC[C@@H]1[N@H+](Cc2cccs2)CCC[C@]12CCC(=O)N2C ZINC000096052411 185074011 /nfs/dbraw/zinc/07/40/11/185074011.db2.gz XEAHGPWUKVHLFM-HOCLYGCPSA-N 1 0 292.448 3.114 40 0 CGABRO Fc1cc(C[NH+]2CCC3(COC3)CC2)ccc1Cl ZINC000096051227 185074947 /nfs/dbraw/zinc/07/49/47/185074947.db2.gz YEIJOHOFDZVXQF-UHFFFAOYSA-N 1 0 269.747 3.092 40 0 CGABRO c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(COCC3CC3)C2)nc1 ZINC000096109182 185099322 /nfs/dbraw/zinc/09/93/22/185099322.db2.gz UYNBIOWVHNSPRC-AEFFLSMTSA-N 1 0 286.419 3.110 40 0 CGABRO CC(C)Oc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000127955440 187343301 /nfs/dbraw/zinc/34/33/01/187343301.db2.gz GJMYPHGIPZDABU-BBRMVZONSA-N 1 0 263.381 3.303 40 0 CGABRO COc1cc2cccnc2c(NCCCCCC[NH3+])c1 ZINC000001873621 344856569 /nfs/dbraw/zinc/85/65/69/344856569.db2.gz QEVLTGIQONVGHN-UHFFFAOYSA-N 1 0 273.380 3.174 40 0 CGABRO C[N@@H+]1CC[C@@H](NCc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000012113180 344879469 /nfs/dbraw/zinc/87/94/69/344879469.db2.gz MGDXGLUHKKGPKT-IEBWSBKVSA-N 1 0 298.405 3.403 40 0 CGABRO CCC[N@H+](CC)CCc1c[nH]c2ccc(OC)cc12 ZINC000059043940 345205919 /nfs/dbraw/zinc/20/59/19/345205919.db2.gz OQHFIOKNGNJPPF-UHFFFAOYSA-N 1 0 260.381 3.451 40 0 in-vitro CGABRO C[NH2+]Cc1cccn1-c1cccc(C(F)(F)F)c1 ZINC000113704045 186590796 /nfs/dbraw/zinc/59/07/96/186590796.db2.gz DUPFSRKKWUDZFG-UHFFFAOYSA-N 1 0 254.255 3.216 40 0 CGABRO COc1ccc2c(c1O)-c1ccccc1CC[N@@H+](C)C2 ZINC000000518229 368382352 /nfs/dbraw/zinc/38/23/52/368382352.db2.gz ZGZXDJPQXTUPSG-UHFFFAOYSA-N 1 0 269.344 3.056 40 0 biogenic CGABRO C[C@H]([C@H](O)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001665293 368427428 /nfs/dbraw/zinc/42/74/28/368427428.db2.gz OUBANBNSLLAFIF-RISCZKNCSA-N 1 0 253.773 3.248 40 0 CGABRO Cc1ccc(C[NH+](C)C)c([C@H](O)c2ccccc2)c1 ZINC000001662367 368428025 /nfs/dbraw/zinc/42/80/25/368428025.db2.gz HNFLYAXDXOQHQS-QGZVFWFLSA-N 1 0 255.361 3.138 40 0 CGABRO CC[NH+](CC)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000001672756 368429946 /nfs/dbraw/zinc/42/99/46/368429946.db2.gz WQYKRGOOOWDXBD-LLVKDONJSA-N 1 0 268.788 3.317 40 0 CGABRO CC(=O)c1cccc2cc([C@H](O)C[NH2+]C(C)(C)C)oc21 ZINC000002540800 368463080 /nfs/dbraw/zinc/46/30/80/368463080.db2.gz UJFKLSLVTSFAQN-CYBMUJFWSA-N 1 0 275.348 3.057 40 0 in-vitro CGABRO c1ccc2c(c1)N[C@H]1[C@H]3[C@H]4CCCC[C@H]4C[N@H+]3CC[C@@H]21 ZINC000003999122 368525974 /nfs/dbraw/zinc/52/59/74/368525974.db2.gz LKHAUIVLOLWBIF-AIGAYMNCSA-N 1 0 268.404 3.459 40 0 CGABRO Cc1ccccc1CN(CCC[NH+](C)C)Cc1ccccn1 ZINC000013990693 368672306 /nfs/dbraw/zinc/67/23/06/368672306.db2.gz UKLOFGDRCMAQDF-UHFFFAOYSA-N 1 0 297.446 3.344 40 0 CGABRO Cc1ccc(Cn2c3ccccc3nc2CCC[NH3+])cc1 ZINC000019734012 368761635 /nfs/dbraw/zinc/76/16/35/368761635.db2.gz ZHDJCGAAFILDEJ-UHFFFAOYSA-N 1 0 279.387 3.284 40 0 CGABRO c1ccc(CCN2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000019365520 368750461 /nfs/dbraw/zinc/75/04/61/368750461.db2.gz NFYAOGOHUGRGIX-UHFFFAOYSA-N 1 0 294.442 3.089 40 0 CGABRO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000019963778 368791159 /nfs/dbraw/zinc/79/11/59/368791159.db2.gz WWLXASZDMMYFBT-CJNGLKHVSA-N 1 0 263.381 3.303 40 0 CGABRO C[NH+](C)C1(c2cccc(Cl)c2)CCC(=O)CC1 ZINC000027427676 368871418 /nfs/dbraw/zinc/87/14/18/368871418.db2.gz RYIXLNLJRGYTQM-UHFFFAOYSA-N 1 0 251.757 3.240 40 0 CGABRO Cc1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)n1 ZINC000027979570 368879682 /nfs/dbraw/zinc/87/96/82/368879682.db2.gz IPDZOSKUBGQQEQ-UHFFFAOYSA-N 1 0 299.374 3.221 40 0 CGABRO CC[C@@H](C)Oc1ccc(C[NH2+]C(C)C)cc1OC ZINC000034817067 368979223 /nfs/dbraw/zinc/97/92/23/368979223.db2.gz JGVQPUYIZJHCIT-GFCCVEGCSA-N 1 0 251.370 3.371 40 0 CGABRO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCC4)C3)o2)cc1 ZINC000049169898 369390568 /nfs/dbraw/zinc/39/05/68/369390568.db2.gz JWKYIPBCVJTXME-AWEZNQCLSA-N 1 0 283.375 3.387 40 0 biogenic,in-vitro CGABRO Fc1ccccc1C[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000062718663 369630337 /nfs/dbraw/zinc/63/03/37/369630337.db2.gz ZDROHNBEEXJRKC-UHFFFAOYSA-N 1 0 283.350 3.424 40 0 CGABRO Cc1nc(N(C)C)ccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072218760 369815499 /nfs/dbraw/zinc/81/54/99/369815499.db2.gz SKYTUHJGSNISBT-HNNXBMFYSA-N 1 0 261.413 3.391 40 0 CGABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(C)C)nc1C ZINC000072218746 369816288 /nfs/dbraw/zinc/81/62/88/369816288.db2.gz YCDCQONKHUWMPG-HNNXBMFYSA-N 1 0 261.413 3.393 40 0 CGABRO c1ccc2c(c1)N[C@@H]1[C@H]2CC[N@@H+]2C[C@@H]3CCCC[C@@H]3[C@@H]12 ZINC000102805622 370312080 /nfs/dbraw/zinc/31/20/80/370312080.db2.gz LKHAUIVLOLWBIF-CSAOUQSSSA-N 1 0 268.404 3.459 40 0 CGABRO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccccn2)on1 ZINC000019120320 541854294 /nfs/dbraw/zinc/85/42/94/541854294.db2.gz RFCIHAHTBRKURH-HNNXBMFYSA-N 1 0 271.364 3.495 40 0 CGABRO CNc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C)[nH+]1 ZINC000328964320 374398243 /nfs/dbraw/zinc/39/82/43/374398243.db2.gz BUQSIXIIRGIZBV-UHFFFAOYSA-N 1 0 282.391 3.125 40 0 CGABRO CCCn1cc(C[NH2+]Cc2ccc(F)s2)c(C)n1 ZINC000256051972 190003550 /nfs/dbraw/zinc/00/35/50/190003550.db2.gz LIQUCAXDXQPSKE-UHFFFAOYSA-N 1 0 267.373 3.092 40 0 CGABRO Cc1csc(-c2cc(C)nc([C@@H]3CCC[N@@H+](C)C3)n2)n1 ZINC000257202998 190010830 /nfs/dbraw/zinc/01/08/30/190010830.db2.gz AOFHXXGJUJOWAJ-GFCCVEGCSA-N 1 0 288.420 3.026 40 0 CGABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257201139 190011060 /nfs/dbraw/zinc/01/10/60/190011060.db2.gz AGLRBVCBPOVSHF-INIZCTEOSA-N 1 0 267.376 3.165 40 0 CGABRO Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2ccccn2)ccn1 ZINC000257204188 190011209 /nfs/dbraw/zinc/01/12/09/190011209.db2.gz ATLCTGFJFXGTOW-GOSISDBHSA-N 1 0 281.403 3.382 40 0 CGABRO CC(C)n1nccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000257232196 190016609 /nfs/dbraw/zinc/01/66/09/190016609.db2.gz GJUHZUVNZXLBOT-CYBMUJFWSA-N 1 0 290.436 3.300 40 0 CGABRO C[NH+]1CCC(c2cccc(-n3cnc4ccccc43)n2)CC1 ZINC000257234699 190017166 /nfs/dbraw/zinc/01/71/66/190017166.db2.gz GUSWEXCUFTZKCK-UHFFFAOYSA-N 1 0 292.386 3.230 40 0 CGABRO c1cc(CC[C@@H]2CCC[N@@H+]2Cc2ccncc2)ccn1 ZINC000257250038 190020018 /nfs/dbraw/zinc/02/00/18/190020018.db2.gz JKSURDDDMHPJMU-KRWDZBQOSA-N 1 0 267.376 3.074 40 0 CGABRO Cc1n[nH]c(C)c1-c1cnc(C2CC[NH+](C(C)C)CC2)cn1 ZINC000257252825 190020459 /nfs/dbraw/zinc/02/04/59/190020459.db2.gz JWFWSCGKTRSAQH-UHFFFAOYSA-N 1 0 299.422 3.071 40 0 CGABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)n1 ZINC000257307225 190031468 /nfs/dbraw/zinc/03/14/68/190031468.db2.gz SXSOLKYFRBIOJU-CYBMUJFWSA-N 1 0 289.329 3.053 40 0 CGABRO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000226724980 376371341 /nfs/dbraw/zinc/37/13/41/376371341.db2.gz CLGXEJOPRIEXHR-HZPDHXFCSA-N 1 0 291.435 3.282 40 0 CGABRO CC(C)(C)C[NH2+][C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC000238152025 376770870 /nfs/dbraw/zinc/77/08/70/376770870.db2.gz WSAAYUXDMFKXJK-JOCQHMNTSA-N 1 0 284.444 3.458 40 0 CGABRO C[C@@H]1CCCN([C@H](C[NH3+])c2ccccc2Br)C1 ZINC000252113169 377615118 /nfs/dbraw/zinc/61/51/18/377615118.db2.gz IBLBHSHLRDRWHD-BXUZGUMPSA-N 1 0 297.240 3.181 40 0 CGABRO C[NH+](C)CC[C@@](O)(CCc1ccccc1)c1ccccc1 ZINC000000084963 391905320 /nfs/dbraw/zinc/90/53/20/391905320.db2.gz HXLXJOODQVGSCM-IBGZPJMESA-N 1 0 283.415 3.459 40 0 CGABRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220576 391954716 /nfs/dbraw/zinc/95/47/16/391954716.db2.gz KYYGBOLBXWBOAP-AWEZNQCLSA-N 1 0 294.826 3.077 40 0 CGABRO CC(C)CN1c2ccc(SCCC[NH3+])cc2CCC1=O ZINC000218804526 130771288 /nfs/dbraw/zinc/77/12/88/130771288.db2.gz ICWLMENRQDLXGC-UHFFFAOYSA-N 1 0 292.448 3.063 40 0 CGABRO C[NH2+][C@H](c1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072207636 392196285 /nfs/dbraw/zinc/19/62/85/392196285.db2.gz LVCAAGRDHHKLEF-LSDHHAIUSA-N 1 0 292.423 3.496 40 0 CGABRO C[N@@H+]1CCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212064 392197645 /nfs/dbraw/zinc/19/76/45/392197645.db2.gz VGQAMJJNAUPNBL-MRXNPFEDSA-N 1 0 268.360 3.427 40 0 CGABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N(CC)CC)nc1 ZINC000072212838 392198627 /nfs/dbraw/zinc/19/86/27/392198627.db2.gz QDCGDGAFWLTSGF-HNNXBMFYSA-N 1 0 261.413 3.475 40 0 CGABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215923 392199118 /nfs/dbraw/zinc/19/91/18/392199118.db2.gz UYIADHNZQDJRPI-OAHLLOKOSA-N 1 0 259.397 3.229 40 0 CGABRO CCCNc1cc(C)c([C@@H]([NH3+])c2ccccc2)cn1 ZINC000072223218 392203011 /nfs/dbraw/zinc/20/30/11/392203011.db2.gz SBFZCJINXCLZQL-INIZCTEOSA-N 1 0 255.365 3.260 40 0 CGABRO CC[C@H]([NH3+])c1ccc(N2CCc3ccccc32)nc1 ZINC000072225814 392204439 /nfs/dbraw/zinc/20/44/39/392204439.db2.gz UKHJWYXBBAMXRY-AWEZNQCLSA-N 1 0 253.349 3.186 40 0 CGABRO CCNc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C)[nH+]1 ZINC000329055335 392677486 /nfs/dbraw/zinc/67/74/86/392677486.db2.gz VMUMHVSQNCFUKG-LBPRGKRZSA-N 1 0 282.391 3.168 40 0 CGABRO CCOC(=O)C[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000072210283 397640602 /nfs/dbraw/zinc/64/06/02/397640602.db2.gz CXITWRHUFOVUTP-CYBMUJFWSA-N 1 0 267.756 3.086 40 0 CGABRO COCC[N@H+](C)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004777726 170015579 /nfs/dbraw/zinc/01/55/79/170015579.db2.gz HSDWGNMSFYTZSY-ZWKOTPCHSA-N 1 0 285.387 3.040 40 0 CGABRO Clc1cccc(C[NH2+]CCCSc2ncccn2)c1 ZINC000004984144 170049119 /nfs/dbraw/zinc/04/91/19/170049119.db2.gz LROVPFWBJKGKGM-UHFFFAOYSA-N 1 0 293.823 3.402 40 0 CGABRO CCC[C@H](C)CCC[NH2+]CCOC(=O)c1cccc(N)c1 ZINC000005422071 170097776 /nfs/dbraw/zinc/09/77/76/170097776.db2.gz AZWRNFCMWLWQOE-AWEZNQCLSA-N 1 0 292.423 3.232 40 0 CGABRO CCOc1ccc2ccccc2c1C[NH2+][C@H](CC)CO ZINC000008326989 170331460 /nfs/dbraw/zinc/33/14/60/170331460.db2.gz LGBMXXYLZSUWRI-CQSZACIVSA-N 1 0 273.376 3.099 40 0 CGABRO O=Cc1ccccc1OCCC[NH+]1CCCCCC1 ZINC000008731497 170351357 /nfs/dbraw/zinc/35/13/57/170351357.db2.gz AXGZYVFRTUCCJX-UHFFFAOYSA-N 1 0 261.365 3.144 40 0 CGABRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+]Cc1cccs1 ZINC000035313653 172122828 /nfs/dbraw/zinc/12/28/28/172122828.db2.gz GONSWWFMXNSHTP-ZDUSSCGKSA-N 1 0 288.416 3.482 40 0 CGABRO C[NH2+]Cc1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000035655528 172331805 /nfs/dbraw/zinc/33/18/05/172331805.db2.gz HNHKLFDIOYOASV-UHFFFAOYSA-N 1 0 257.120 3.368 40 0 CGABRO [NH3+]C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCCCC1 ZINC000037424783 173198879 /nfs/dbraw/zinc/19/88/79/173198879.db2.gz DXKINZKWOBCHAU-ZDUSSCGKSA-N 1 0 273.207 3.479 40 0 CGABRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]([NH3+])c2ccccc2)C1 ZINC000072208757 176342882 /nfs/dbraw/zinc/34/28/82/176342882.db2.gz WZTOZCUIWGDBRT-LSDHHAIUSA-N 1 0 290.407 3.334 40 0 CGABRO COc1ccccc1Cc1cccc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072348581 176373952 /nfs/dbraw/zinc/37/39/52/176373952.db2.gz UOHOXRMVAHSSJA-INIZCTEOSA-N 1 0 296.414 3.490 40 0 CGABRO CCCCc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000078578443 177356123 /nfs/dbraw/zinc/35/61/23/177356123.db2.gz BSPSLHDMSSNQBQ-HNNXBMFYSA-N 1 0 274.408 3.310 40 0 CGABRO O=C1c2ccccc2-[n+]2ccc3c4ccccc4[nH]c3c21 ZINC000001616841 275031186 /nfs/dbraw/zinc/03/11/86/275031186.db2.gz WYQIPCUPNMRAKP-UHFFFAOYSA-O 1 0 271.299 3.142 40 0 in-vivo CGABRO CC(C)[NH+](Cc1nnc(-c2ccccc2)o1)C(C)C ZINC000015922176 275623610 /nfs/dbraw/zinc/62/36/10/275623610.db2.gz DKUUONCXLBPOOQ-UHFFFAOYSA-N 1 0 259.353 3.355 40 0 CGABRO C[N@@H+]1CCC[C@@H](Cc2cncc(Br)c2)CC1 ZINC000072366095 277053710 /nfs/dbraw/zinc/05/37/10/277053710.db2.gz YSKKYRUZXDPKRW-LLVKDONJSA-N 1 0 283.213 3.119 40 0 CGABRO CC(=O)N(CCC[NH+](C)C)C[C@H]1[C@H](C)C=C(C)C[C@H]1C ZINC000004024748 277970788 /nfs/dbraw/zinc/97/07/88/277970788.db2.gz ZLYRCIIIWXAQLB-INMHGKMJSA-N 1 0 280.456 3.025 40 0 CGABRO Cc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H](C)CO)cc1 ZINC000001667036 278844668 /nfs/dbraw/zinc/84/46/68/278844668.db2.gz SBRNPMKCHAICRK-MAUKXSAKSA-N 1 0 269.388 3.249 40 0 CGABRO C[n+]1ccc(/C=C/c2ccc(Br)cc2)cc1 ZINC000000347462 280181205 /nfs/dbraw/zinc/18/12/05/280181205.db2.gz BKPYYYGUAPETPF-NSCUHMNNSA-N 1 0 275.169 3.444 40 0 aggregator CGABRO C[n+]1ccc(-c2nc3ccc(Cl)cc3s2)cc1 ZINC000164765159 280181241 /nfs/dbraw/zinc/18/12/41/280181241.db2.gz HKJTWTCDCSAXOF-UHFFFAOYSA-N 1 0 261.757 3.441 40 0 CGABRO CC1CCN([C@H](C[NH3+])c2c(F)cccc2Cl)CC1 ZINC000038785093 281835633 /nfs/dbraw/zinc/83/56/33/281835633.db2.gz VZDWPHJXVDXACN-CYBMUJFWSA-N 1 0 270.779 3.211 40 0 CGABRO Clc1ccc([C@@H](c2cccs2)N2CC[NH2+]CC2)cc1 ZINC000019366604 294106721 /nfs/dbraw/zinc/10/67/21/294106721.db2.gz XKZGRQBMNSEMGC-HNNXBMFYSA-N 1 0 292.835 3.396 40 0 CGABRO CC(C)Nc1ncc(C[NH2+]C2CCCCCC2)cn1 ZINC000062717628 333175857 /nfs/dbraw/zinc/17/58/57/333175857.db2.gz CCJCQCNQFWFROL-UHFFFAOYSA-N 1 0 262.401 3.109 40 0 CGABRO Cc1ccc([C@@H]2SC(=[NH2+])N[C@@H]2[C@@H](O)c2ccccc2)cc1 ZINC000253566006 334438825 /nfs/dbraw/zinc/43/88/25/334438825.db2.gz ILDUQMPCSDTLHJ-PMPSAXMXSA-N 1 0 298.411 3.200 40 0 CGABRO C[C@@H]1CCC[C@@H](C)[NH+]1CCOc1ccccc1C=O ZINC000217788861 533739331 /nfs/dbraw/zinc/73/93/31/533739331.db2.gz LLYHIUZFISPJLE-ZIAGYGMSSA-N 1 0 261.365 3.141 40 0 CGABRO C[N@@H+]1CC[C@@H]2[C@@H](C1)c1ccccc1N2Cc1ccccc1 ZINC000059229689 345206589 /nfs/dbraw/zinc/20/65/89/345206589.db2.gz OFPJOWXBDHSDOQ-PKOBYXMFSA-N 1 0 278.399 3.495 40 0 CGABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(CC2CCC2)CC1 ZINC000098213806 185701036 /nfs/dbraw/zinc/70/10/36/185701036.db2.gz GNYFVKRKGRLNBC-UHFFFAOYSA-N 1 0 282.428 3.153 40 0 CGABRO CN(C)c1ccc2c(c1)S[C@@H]1CC(=[NH2+])CC[C@@H]1N2 ZINC000604940884 348138893 /nfs/dbraw/zinc/13/88/93/348138893.db2.gz AVOGIHRAPDCQKW-WCQYABFASA-N 1 0 261.394 3.211 40 0 CGABRO c1cc([C@H]2CCC[N@@H+](Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000124005164 187118342 /nfs/dbraw/zinc/11/83/42/187118342.db2.gz PWJBYTIHVANWKO-HNNXBMFYSA-N 1 0 292.386 3.338 40 0 CGABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccc(Cl)cc1)C2 ZINC000000191103 368312672 /nfs/dbraw/zinc/31/26/72/368312672.db2.gz XWGMSARSNQYGGL-PBWFPOADSA-N 1 0 279.767 3.122 40 0 CGABRO CC[NH+](CC)CCOC(=O)Cc1csc2ccccc12 ZINC000001561924 368417520 /nfs/dbraw/zinc/41/75/20/368417520.db2.gz QLXAWNSDJDXYIK-UHFFFAOYSA-N 1 0 291.416 3.329 40 0 CGABRO CCCCCCO[C@H](C[NH3+])C(Cl)(Cl)Cl ZINC000001727657 368436175 /nfs/dbraw/zinc/43/61/75/368436175.db2.gz NDYMSWQQMXRGLU-MRVPVSSYSA-N 1 0 262.608 3.281 40 0 CGABRO CC1=C[C@@H](C)[C@H]([C@@H]2OC[C@H](C[NH+]3CCCC3)O2)[C@H](C)C1 ZINC000004094087 368529442 /nfs/dbraw/zinc/52/94/42/368529442.db2.gz FTLAMGAOAHIHBM-UHDSXZAQSA-N 1 0 279.424 3.062 40 0 CGABRO CCc1ccc2[nH]c(=O)c(C[NH2+]C3CCCC3)cc2c1 ZINC000004131488 368532404 /nfs/dbraw/zinc/53/24/04/368532404.db2.gz LXHTWGWIMBPQHW-UHFFFAOYSA-N 1 0 270.376 3.123 40 0 CGABRO COc1cc2c(cc1OC)[C@@H](CC(C)C)[N@H+](C)CC2 ZINC000003848582 368520727 /nfs/dbraw/zinc/52/07/27/368520727.db2.gz XLYGKISSKFHOEE-CQSZACIVSA-N 1 0 263.381 3.279 40 0 CGABRO Cc1cc(C)c(C[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1C ZINC000004573461 368552037 /nfs/dbraw/zinc/55/20/37/368552037.db2.gz YGAUHRIAVQQHDT-LZLYRXPVSA-N 1 0 275.436 3.246 40 0 CGABRO CCc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)s1 ZINC000019522933 368756256 /nfs/dbraw/zinc/75/62/56/368756256.db2.gz BKTBBAFBSNTELW-CYBMUJFWSA-N 1 0 294.464 3.305 40 0 CGABRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[NH3+])c2ccccc21 ZINC000026896382 368864636 /nfs/dbraw/zinc/86/46/36/368864636.db2.gz SHVKRMBNOZXRGQ-SMDDNHRTSA-N 1 0 276.380 3.089 40 0 CGABRO [NH3+]Cc1c[nH]c2c1cccc2COCc1ccccc1 ZINC000026896615 368864826 /nfs/dbraw/zinc/86/48/26/368864826.db2.gz PKHCOLBIWJYSJK-UHFFFAOYSA-N 1 0 266.344 3.343 40 0 CGABRO Cc1cc(C)[n+](C)c(/C=C\c2ccc(Cl)cc2)n1 ZINC000033889733 368969642 /nfs/dbraw/zinc/96/96/42/368969642.db2.gz VAJFNCAMOYDSFE-TWGQIWQCSA-N 1 0 259.760 3.347 40 0 CGABRO COCCC[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000032113249 368924466 /nfs/dbraw/zinc/92/44/66/368924466.db2.gz OZEBOKBMBQMXSC-UHFFFAOYSA-N 1 0 263.381 3.134 40 0 CGABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)C ZINC000072212680 369816326 /nfs/dbraw/zinc/81/63/26/369816326.db2.gz HOLWNCOTOWYOMR-OAHLLOKOSA-N 1 0 261.413 3.475 40 0 CGABRO C[NH+]1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000074713454 369886352 /nfs/dbraw/zinc/88/63/52/369886352.db2.gz TTZCJCRNEULVTE-UHFFFAOYSA-N 1 0 287.190 3.274 40 0 CGABRO C[NH2+]C1CCC(N(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000079437662 369968883 /nfs/dbraw/zinc/96/88/83/369968883.db2.gz SEGHKXZKMCNPOX-UHFFFAOYSA-N 1 0 270.417 3.163 40 0 CGABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[NH2+]1 ZINC000072214781 284193985 /nfs/dbraw/zinc/19/39/85/284193985.db2.gz YFHVXYRFIFJMJA-CYBMUJFWSA-N 1 0 291.395 3.268 40 0 CGABRO CCN(C(=O)OCc1ccccc1)[C@H]1CC[C@H]([NH2+]C)CC1 ZINC000100178435 370272742 /nfs/dbraw/zinc/27/27/42/370272742.db2.gz LAVJNGNMUKEOAE-IYBDPMFKSA-N 1 0 290.407 3.176 40 0 CGABRO C[NH+]1CCC(C(=O)Nc2cccc3ccccc32)CC1 ZINC000174462940 373321474 /nfs/dbraw/zinc/32/14/74/373321474.db2.gz XPWQQCGWCGOQQG-UHFFFAOYSA-N 1 0 268.360 3.120 40 0 CGABRO c1ccc2c(c1)cncc2CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000257198256 190010817 /nfs/dbraw/zinc/01/08/17/190010817.db2.gz XKCMRATYCPGUCS-SFESLNEESA-N 1 0 252.361 3.308 40 0 CGABRO Cc1ncsc1C[NH+]1CCC(C)(c2nccs2)CC1 ZINC000257243178 190018799 /nfs/dbraw/zinc/01/87/99/190018799.db2.gz IFTGKOQYWRXHNX-UHFFFAOYSA-N 1 0 293.461 3.462 40 0 CGABRO c1cc([C@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)n[nH]1 ZINC000257271032 190023665 /nfs/dbraw/zinc/02/36/65/190023665.db2.gz MWNWSLMXPVAIFZ-ZDUSSCGKSA-N 1 0 280.375 3.271 40 0 CGABRO C[N@@H+]1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257285609 190027109 /nfs/dbraw/zinc/02/71/09/190027109.db2.gz PHYJMFMVFXFBBZ-CYBMUJFWSA-N 1 0 274.339 3.214 40 0 CGABRO Cc1nc([C@H]2CC[N@H+](Cc3cccnc3)C2)c2sccn12 ZINC000257273690 190024621 /nfs/dbraw/zinc/02/46/21/190024621.db2.gz NHSOPIXBCDZTDO-AWEZNQCLSA-N 1 0 298.415 3.089 40 0 CGABRO Clc1ccc(Oc2cncc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000257274837 190024949 /nfs/dbraw/zinc/02/49/49/190024949.db2.gz NMWCIZIDPNKNOP-GFCCVEGCSA-N 1 0 275.739 3.347 40 0 CGABRO CCCOc1ccc2c(c1)c(C[NH2+]CC)c(C)n2C ZINC000223763929 376263038 /nfs/dbraw/zinc/26/30/38/376263038.db2.gz ORSBXOTVNWRCNU-UHFFFAOYSA-N 1 0 260.381 3.385 40 0 CGABRO CC[n+]1cccc(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000226774631 376373601 /nfs/dbraw/zinc/37/36/01/376373601.db2.gz JVZVXSJSPDRZEC-UHFFFAOYSA-N 1 0 253.325 3.419 40 0 CGABRO c1cn2c(n1)CN(C1CCCC1)[C@@H](c1ccccc1)C2 ZINC000257255796 377796793 /nfs/dbraw/zinc/79/67/93/377796793.db2.gz KIWRCVCTTKZSPX-MRXNPFEDSA-N 1 0 267.376 3.383 40 0 CGABRO O=C(CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccccc1 ZINC000001615801 169726142 /nfs/dbraw/zinc/72/61/42/169726142.db2.gz WDJIDNFTQWOXFS-GJZGRUSLSA-N 1 0 257.377 3.381 40 0 CGABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCCCC1 ZINC000003864479 391919311 /nfs/dbraw/zinc/91/93/11/391919311.db2.gz UGFKGDCZWPHAQX-BSDSXHPESA-N 1 0 297.483 3.311 40 0 CGABRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000034400323 391973553 /nfs/dbraw/zinc/97/35/53/391973553.db2.gz CHEMJXXSYPKSTH-AWEZNQCLSA-N 1 0 282.428 3.166 40 0 CGABRO Cc1[nH+]c2ccc(Br)cc2c(N)c1C ZINC000050870892 392067287 /nfs/dbraw/zinc/06/72/87/392067287.db2.gz VVJFMLGNXNMKCH-UHFFFAOYSA-N 1 0 251.127 3.196 40 0 CGABRO Cc1cc([C@@H](C)[NH3+])cnc1N1CCc2ccccc21 ZINC000072222905 392203224 /nfs/dbraw/zinc/20/32/24/392203224.db2.gz JWHGJNURRSBVIU-GFCCVEGCSA-N 1 0 253.349 3.104 40 0 CGABRO C[C@H]([NH3+])c1ccc(N2CCCc3ccccc32)nc1 ZINC000072225791 392204532 /nfs/dbraw/zinc/20/45/32/392204532.db2.gz SKOJPUUPZJSEIX-LBPRGKRZSA-N 1 0 253.349 3.186 40 0 CGABRO Nc1c[nH+]cc(Br)c1NCc1ccccc1 ZINC000096311316 392248195 /nfs/dbraw/zinc/24/81/95/392248195.db2.gz CHVHVPINNBRIPW-UHFFFAOYSA-N 1 0 278.153 3.038 40 0 CGABRO COC(=O)[C@@](C)(c1ccccc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000216521433 392991409 /nfs/dbraw/zinc/99/14/09/392991409.db2.gz MMRSEEBTACCPCS-CKEIUWERSA-N 1 0 275.392 3.053 40 0 CGABRO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000006455040 397603337 /nfs/dbraw/zinc/60/33/37/397603337.db2.gz FMLHDYSHTHBTBB-CVEARBPZSA-N 1 0 291.435 3.424 40 0 CGABRO CC(C)[NH+]1CCC(O)(c2ccc(Cl)s2)CC1 ZINC000084193679 397641018 /nfs/dbraw/zinc/64/10/18/397641018.db2.gz RBQDCTYBHVNUTR-UHFFFAOYSA-N 1 0 259.802 3.093 40 0 CGABRO CCC[C@@H](C)[NH2+]CCOC(=O)Nc1ccccc1 ZINC000001710441 169747706 /nfs/dbraw/zinc/74/77/06/169747706.db2.gz PUOKYAFHCGBKGW-GFCCVEGCSA-N 1 0 250.342 3.013 40 0 CGABRO CC(C)Oc1ccc(C(=O)OCC[N@@H+]2CCC[C@H]2C)cc1 ZINC000004416819 169966968 /nfs/dbraw/zinc/96/69/68/169966968.db2.gz LZLUDVCQIWQCNH-CQSZACIVSA-N 1 0 291.391 3.115 40 0 CGABRO C[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)[C@@H](O)C1 ZINC000004747926 170011205 /nfs/dbraw/zinc/01/12/05/170011205.db2.gz VQALXBBEVZUWGN-SFHVURJKSA-N 1 0 281.399 3.059 40 0 CGABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1cccc[n+]1C ZINC000005551440 170112465 /nfs/dbraw/zinc/11/24/65/170112465.db2.gz FTBJIIUZEXIUOF-OFQRWUPVSA-N 1 0 276.400 3.129 40 0 CGABRO OCC1(Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000005589604 170116783 /nfs/dbraw/zinc/11/67/83/170116783.db2.gz WTOYUGZUPNQZHG-UHFFFAOYSA-N 1 0 296.414 3.126 40 0 in-vitro CGABRO C[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000005910023 170153842 /nfs/dbraw/zinc/15/38/42/170153842.db2.gz BFHLTXCEUGITNX-UHFFFAOYSA-N 1 0 263.362 3.055 40 0 CGABRO COc1ccc([C@@H](O)C[NH+]2CCCCC2)c2c1CCCC2 ZINC000006484091 170205017 /nfs/dbraw/zinc/20/50/17/170205017.db2.gz YLJPRVSNUIQZAV-KRWDZBQOSA-N 1 0 289.419 3.093 40 0 CGABRO O=Cc1ccc(OCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000008731581 170351192 /nfs/dbraw/zinc/35/11/92/170351192.db2.gz SGOLQAMRYSPTGP-UHFFFAOYSA-N 1 0 295.382 3.326 40 0 CGABRO C[C@H]1CCCN([C@@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000022168424 171366641 /nfs/dbraw/zinc/36/66/41/171366641.db2.gz AZSNIQWQHVUQLA-FZMZJTMJSA-N 1 0 252.789 3.072 40 0 CGABRO C[C@H]1C[NH2+]CCN1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000067799686 175792652 /nfs/dbraw/zinc/79/26/52/175792652.db2.gz YCBXPEKBHCIVSZ-VIFPVBQESA-N 1 0 292.732 3.153 40 0 CGABRO CN(Cc1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000072203589 176341723 /nfs/dbraw/zinc/34/17/23/176341723.db2.gz BHVAAMLMMCZZRH-LBPRGKRZSA-N 1 0 273.207 3.177 40 0 CGABRO COc1ccc(-c2cc(C)nc([C@H]3CCC[N@H+](C)C3)n2)cc1 ZINC000072360689 176376974 /nfs/dbraw/zinc/37/69/74/176376974.db2.gz YVGKLLGSTHRTOV-HNNXBMFYSA-N 1 0 297.402 3.270 40 0 CGABRO COc1ccc(Cc2ccnc(C3CC[NH2+]CC3)c2)cc1 ZINC000072365011 176380106 /nfs/dbraw/zinc/38/01/06/176380106.db2.gz GEDMWTONAKOVAM-UHFFFAOYSA-N 1 0 282.387 3.148 40 0 CGABRO Cc1cc(-c2ccc(F)c(F)c2)nc(C2CC[NH2+]CC2)n1 ZINC000072365098 176380162 /nfs/dbraw/zinc/38/01/62/176380162.db2.gz XZRYXOHXWQCNHJ-UHFFFAOYSA-N 1 0 289.329 3.197 40 0 CGABRO Cc1ccc(Cc2cc([C@H]3CCC[NH2+]C3)nc(C)n2)cc1 ZINC000072365188 176380818 /nfs/dbraw/zinc/38/08/18/176380818.db2.gz CRJVABIBRWVJIE-INIZCTEOSA-N 1 0 281.403 3.151 40 0 CGABRO Cc1cccnc1Nc1nc(C2CC[NH+](C)CC2)cs1 ZINC000072367707 176382143 /nfs/dbraw/zinc/38/21/43/176382143.db2.gz FNMAAEGZRQJHAD-UHFFFAOYSA-N 1 0 288.420 3.399 40 0 CGABRO CC1=C[C@@H](C[NH3+])[C@H](C(C)C)C[C@H]1Cc1nc2cc[nH]cc-2n1 ZINC000077262058 177246484 /nfs/dbraw/zinc/24/64/84/177246484.db2.gz BDZJUPKMIUNOMZ-KKUMJFAQSA-N 1 0 298.434 3.314 40 0 biogenic,in-vitro CGABRO CC[NH+](CC)C[C@@H](O)c1ccc(F)c2ccccc21 ZINC000006382477 273638159 /nfs/dbraw/zinc/63/81/59/273638159.db2.gz KKHKFYHFIYJHJB-MRXNPFEDSA-N 1 0 261.340 3.354 40 0 CGABRO c1ccc2c(c1)NC(N1CCCCC1)=[NH+]c1ncncc1-2 ZINC000006258054 275070689 /nfs/dbraw/zinc/07/06/89/275070689.db2.gz SXGPWTQEDWKYHG-UHFFFAOYSA-N 1 0 279.347 3.043 40 0 CGABRO C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000022580131 275393514 /nfs/dbraw/zinc/39/35/14/275393514.db2.gz QHYOXODERCRGTD-XLAORIBOSA-N 1 0 276.468 3.230 40 0 CGABRO CC[NH+]1CCC2(CC1)CC(=O)c1cc3c(cc1O2)CCCC3 ZINC000225825597 276360479 /nfs/dbraw/zinc/36/04/79/276360479.db2.gz IVMWIGACEVDDJJ-UHFFFAOYSA-N 1 0 299.414 3.385 40 0 CGABRO COc1ccc(N2[NH+]=C(N)C[C@H]2c2ccc(F)cc2)cc1 ZINC000222548848 277909543 /nfs/dbraw/zinc/90/95/43/277909543.db2.gz QHRUTXSRBKFGEN-HNNXBMFYSA-N 1 0 285.322 3.058 40 0 CGABRO C[n+]1cccc(-c2nc3c(cccc3Cl)s2)c1 ZINC000226776680 280181063 /nfs/dbraw/zinc/18/10/63/280181063.db2.gz OZEAEKWXVVYQFN-UHFFFAOYSA-N 1 0 261.757 3.441 40 0 CGABRO C[NH+]1CCC(c2nccnc2-c2ccc(F)c(F)c2)CC1 ZINC000072365104 289897779 /nfs/dbraw/zinc/89/77/79/289897779.db2.gz XRVHAIXJFMARLX-UHFFFAOYSA-N 1 0 289.329 3.231 40 0 CGABRO Cc1nc(-c2cc[nH]n2)cc([C@H]2CCCC[N@H+]2C(C)C)n1 ZINC000257247361 293138998 /nfs/dbraw/zinc/13/89/98/293138998.db2.gz IYQPBJBIEKAMLE-MRXNPFEDSA-N 1 0 285.395 3.111 40 0 CGABRO COCC[NH2+]Cc1cc(C)n(Cc2ccccc2C)c1C ZINC000223662362 327936788 /nfs/dbraw/zinc/93/67/88/327936788.db2.gz DTUONBNTJUNFEB-UHFFFAOYSA-N 1 0 286.419 3.198 40 0 CGABRO c1ccc([C@@H]2[C@@H]3CCC[C@H]3[C@H]2[NH2+]C[C@H]2CCOC2)cc1 ZINC000257266568 327129601 /nfs/dbraw/zinc/12/96/01/327129601.db2.gz MDOWAAUMGYZGRS-JVNHZCFISA-N 1 0 271.404 3.195 40 0 CGABRO CC1CC[NH+](CCCCOc2ccccc2C=O)CC1 ZINC000217795824 528237195 /nfs/dbraw/zinc/23/71/95/528237195.db2.gz KCQALDLXEGXTFN-UHFFFAOYSA-N 1 0 275.392 3.390 40 0 CGABRO C[C@@H]1CO[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000096073309 185088086 /nfs/dbraw/zinc/08/80/86/185088086.db2.gz KTYKHZUYFLNWKG-RDJZCZTQSA-N 1 0 259.393 3.120 40 0 CGABRO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000046960055 345047459 /nfs/dbraw/zinc/04/74/59/345047459.db2.gz WGYNEWDWBQAFCM-AWEZNQCLSA-N 1 0 288.435 3.155 40 0 CGABRO CC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067400373 345320683 /nfs/dbraw/zinc/32/06/83/345320683.db2.gz MDXUVFCFAJOJIQ-AWEZNQCLSA-N 1 0 253.773 3.105 40 0 CGABRO CCOCC[C@@H]1CCOC12CC[NH+](Cc1ccoc1)CC2 ZINC000585105462 346724262 /nfs/dbraw/zinc/72/42/62/346724262.db2.gz WZTQUGOLEUZFIO-MRXNPFEDSA-N 1 0 293.407 3.077 40 0 CGABRO C[N@@H+]1CCCCC12CCN(C(=O)[C@@]1(C)CC=CCC1)CC2 ZINC000585102441 346724466 /nfs/dbraw/zinc/72/44/66/346724466.db2.gz LWKWOZDRDZPGEO-KRWDZBQOSA-N 1 0 290.451 3.210 40 0 CGABRO C[NH2+][C@@H](c1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207660 290805362 /nfs/dbraw/zinc/80/53/62/290805362.db2.gz JARAEFPSWXWDOV-CABCVRRESA-N 1 0 290.407 3.347 40 0 CGABRO CC[C@@H](OC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000002694568 169820719 /nfs/dbraw/zinc/82/07/19/169820719.db2.gz VRUIYMWWJGHVSW-IAGOWNOFSA-N 1 0 277.408 3.001 40 0 CGABRO FC(F)(F)c1ccc(N2CC[NH2+][C@@H]3CCCC[C@H]32)cc1 ZINC000218836580 376190400 /nfs/dbraw/zinc/19/04/00/376190400.db2.gz XVURUWLGVOZVRS-ZIAGYGMSSA-N 1 0 284.325 3.426 40 0 CGABRO C[NH+](C)CC[C@@H](c1ccccc1)[C@@H](CO)c1ccccc1 ZINC000001557238 368417924 /nfs/dbraw/zinc/41/79/24/368417924.db2.gz HKNDXZDSLQGSCE-OALUTQOASA-N 1 0 283.415 3.498 40 0 CGABRO CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CC[N@@H+]2C ZINC000001578734 368421048 /nfs/dbraw/zinc/42/10/48/368421048.db2.gz JYRBQCWXZNDERM-DJIMGWMZSA-N 1 0 259.393 3.326 40 0 in-vitro CGABRO CC[NH+](CC)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000001683251 368431475 /nfs/dbraw/zinc/43/14/75/368431475.db2.gz SUEYIXUWXJMMPP-LBPRGKRZSA-N 1 0 262.180 3.369 40 0 CGABRO COc1ccc(Oc2cc3c[n+](C)ccc3cc2OC)cc1 ZINC000001767319 368437539 /nfs/dbraw/zinc/43/75/39/368437539.db2.gz BEQDYKPYTXUCJZ-UHFFFAOYSA-N 1 0 296.346 3.474 40 0 CGABRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)[C@H](O)c1ccc(O)cc1 ZINC000003831235 368519880 /nfs/dbraw/zinc/51/98/80/368519880.db2.gz PTGXAUBQBSGPKF-DOXZYTNZSA-N 1 0 299.414 3.425 40 0 in-man CGABRO C[C@H]1CC(=O)N(CCC[NH+](C)C)c2ccc(Cl)cc21 ZINC000005533215 368563188 /nfs/dbraw/zinc/56/31/88/368563188.db2.gz LYVQJXHLQNIKIG-NSHDSACASA-N 1 0 280.799 3.132 40 0 CGABRO COc1ccccc1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000015424158 368695000 /nfs/dbraw/zinc/69/50/00/368695000.db2.gz LRFXQCVJVCBBAP-UHFFFAOYSA-N 1 0 266.344 3.466 40 0 CGABRO Cc1ccsc1C[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000013991353 368672413 /nfs/dbraw/zinc/67/24/13/368672413.db2.gz XFLLYAHCFUKFJH-AWEZNQCLSA-N 1 0 275.417 3.440 40 0 CGABRO Cc1ccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019789304 368766076 /nfs/dbraw/zinc/76/60/76/368766076.db2.gz UHGCEAWGKVKSQP-HSALFYBXSA-N 1 0 296.458 3.325 40 0 CGABRO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(C2CCCCC2)CC1 ZINC000019790062 368767230 /nfs/dbraw/zinc/76/72/30/368767230.db2.gz DIIFCJPVJUHLRT-IXDOHACOSA-N 1 0 274.452 3.149 40 0 CGABRO c1c2cccnc2n(CC[NH+]2CCCCC2)c1[C@@H]1CCCO1 ZINC000019347183 368747676 /nfs/dbraw/zinc/74/76/76/368747676.db2.gz QUROTGLADLKIIK-KRWDZBQOSA-N 1 0 299.418 3.374 40 0 CGABRO CC[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020040343 368794818 /nfs/dbraw/zinc/79/48/18/368794818.db2.gz NRJIKAHGLFNCAB-HUUCEWRRSA-N 1 0 288.435 3.447 40 0 CGABRO CCCCOc1ccc(C[NH2+]C[C@H]2CCCO2)cc1 ZINC000020092424 368800362 /nfs/dbraw/zinc/80/03/62/368800362.db2.gz NEUGDEOKMJTOOO-MRXNPFEDSA-N 1 0 263.381 3.134 40 0 CGABRO Clc1ccc(CO[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000051787404 369455045 /nfs/dbraw/zinc/45/50/45/369455045.db2.gz ZIUOPCNXBDWNKR-SNVBAGLBSA-N 1 0 260.164 3.262 40 0 CGABRO CC[C@@H](C)Oc1ccccc1C[NH2+]C[C@H]1CCCO1 ZINC000066115694 369687941 /nfs/dbraw/zinc/68/79/41/369687941.db2.gz BUTNOOXYCKSCCH-UKRRQHHQSA-N 1 0 263.381 3.133 40 0 CGABRO C[NH2+][C@H]1CCCC[C@@H]1N(Cc1ccccc1)C1CC1 ZINC000079438027 369968437 /nfs/dbraw/zinc/96/84/37/369968437.db2.gz GBXVGBWCLZSMGO-IRXDYDNUSA-N 1 0 258.409 3.182 40 0 CGABRO Cc1c(C[NH2+]CCc2ccccc2)cnn1C(C)C ZINC000256051935 190003532 /nfs/dbraw/zinc/00/35/32/190003532.db2.gz LDRBTRSEVKLNKD-UHFFFAOYSA-N 1 0 257.381 3.105 40 0 CGABRO COc1ccc(C[NH2+]Cc2ccc(F)s2)cc1 ZINC000256055160 190005460 /nfs/dbraw/zinc/00/54/60/190005460.db2.gz ZMJILTYDGZISGF-UHFFFAOYSA-N 1 0 251.326 3.186 40 0 CGABRO Cc1cc(Oc2ccccc2)nc([C@H]2CCCC[NH2+]2)n1 ZINC000257198151 190010875 /nfs/dbraw/zinc/01/08/75/190010875.db2.gz USZQVQNXPWXIBS-CQSZACIVSA-N 1 0 269.348 3.392 40 0 CGABRO Cc1ccc(C[N@@H+]2CCC[C@H]2CCc2ccncc2)cn1 ZINC000257263305 190022484 /nfs/dbraw/zinc/02/24/84/190022484.db2.gz LPFISWWMKMZSIZ-SFHVURJKSA-N 1 0 281.403 3.382 40 0 CGABRO Cc1cn(C)c([C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000257286626 190027336 /nfs/dbraw/zinc/02/73/36/190027336.db2.gz PMHJJTNEXQRKNC-KRWDZBQOSA-N 1 0 283.419 3.151 40 0 CGABRO c1csc(Nc2cc(CCC3CC[NH2+]CC3)ccn2)n1 ZINC000257309276 190031077 /nfs/dbraw/zinc/03/10/77/190031077.db2.gz UAHUNYZPHBEKJX-UHFFFAOYSA-N 1 0 288.420 3.214 40 0 CGABRO CC(C)[NH+]1CCC(Cc2ccnc(-c3cncn3C)c2)CC1 ZINC000257332965 190035427 /nfs/dbraw/zinc/03/54/27/190035427.db2.gz XZMAHHSLLIHZOM-UHFFFAOYSA-N 1 0 298.434 3.145 40 0 CGABRO c1ccc(C[N@H+]2CCC[C@H]2CCc2ccncc2)nc1 ZINC000257333847 190035578 /nfs/dbraw/zinc/03/55/78/190035578.db2.gz YDIXZXDYQQOEKS-KRWDZBQOSA-N 1 0 267.376 3.074 40 0 CGABRO CCOc1cc(C=O)ccc1OCCCC[NH+]1CCCC1 ZINC000217798474 376178726 /nfs/dbraw/zinc/17/87/26/376178726.db2.gz JISGCNJYRXBADJ-UHFFFAOYSA-N 1 0 291.391 3.153 40 0 CGABRO COc1cc(C[N@@H+]2CCCC[C@H]2C(C)C)ccc1O ZINC000180083153 542206327 /nfs/dbraw/zinc/20/63/27/542206327.db2.gz ABRWKMBSMOCXRB-AWEZNQCLSA-N 1 0 263.381 3.411 40 0 CGABRO Clc1ccc([C@@H]2[NH2+]CCc3nc4ccccc4n32)cc1 ZINC000019772814 391937524 /nfs/dbraw/zinc/93/75/24/391937524.db2.gz AILFLFZKOPXWGS-MRXNPFEDSA-N 1 0 283.762 3.382 40 0 CGABRO CN(C)c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072212646 392199162 /nfs/dbraw/zinc/19/91/62/392199162.db2.gz QCIWXTBIAIUAHA-QGZVFWFLSA-N 1 0 281.403 3.485 40 0 CGABRO Cc1cc(NC2CC2)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223820 392203396 /nfs/dbraw/zinc/20/33/96/392203396.db2.gz GSUKGHWMMZZPKN-MRXNPFEDSA-N 1 0 253.349 3.012 40 0 CGABRO C[NH2+]Cc1ccc(SCc2ccccc2)nc1C ZINC000072224503 392204519 /nfs/dbraw/zinc/20/45/19/392204519.db2.gz XFBPVWWJNYMQKV-UHFFFAOYSA-N 1 0 258.390 3.402 40 0 CGABRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](CC3CC3)C2)C1=O ZINC000096100312 392245617 /nfs/dbraw/zinc/24/56/17/392245617.db2.gz MWUIETMEXGNTRC-LJQANCHMSA-N 1 0 298.430 3.043 40 0 CGABRO CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC[C@@H](O)C[NH+]1CCCCC1)C2 ZINC000012289163 397604239 /nfs/dbraw/zinc/60/42/39/397604239.db2.gz KEELYYKHJSSOCT-NBOOPKSLSA-N 1 0 295.467 3.065 40 0 CGABRO [NH3+]CCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000044397668 397618781 /nfs/dbraw/zinc/61/87/81/397618781.db2.gz JEQYXPUVXPGCKU-UHFFFAOYSA-N 1 0 255.239 3.467 40 0 CGABRO Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000004882455 170035849 /nfs/dbraw/zinc/03/58/49/170035849.db2.gz ORXYMFDUGQNFON-ZNXRZULTSA-N 1 0 298.430 3.273 40 0 CGABRO CC1CC[NH+](CC(=O)N[C@]2(C)[C@@H]3CC[C@@H](C3)C2(C)C)CC1 ZINC000005000560 170052654 /nfs/dbraw/zinc/05/26/54/170052654.db2.gz YRWJLJMGXDZMGF-HDMKZQKVSA-N 1 0 292.467 3.049 40 0 CGABRO C[C@H]1C[N@H+](C)[C@H](C)[C@H](O)C1(c1ccccc1)c1ccccc1 ZINC000005699673 170130373 /nfs/dbraw/zinc/13/03/73/170130373.db2.gz WVCHTOBQPKMTLU-FCEWJHQRSA-N 1 0 295.426 3.304 40 0 CGABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C(C)(C)CO ZINC000008253405 170326953 /nfs/dbraw/zinc/32/69/53/170326953.db2.gz FHZWODVGIMPPRB-UHFFFAOYSA-N 1 0 292.206 3.253 40 0 CGABRO COCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000008469251 170337107 /nfs/dbraw/zinc/33/71/07/170337107.db2.gz ACXBCKOCWJQYGD-UHFFFAOYSA-N 1 0 289.350 3.141 40 0 CGABRO C[C@H]1CCCC[N@@H+]1CCCOc1ccc(C=O)cc1 ZINC000008731550 170351367 /nfs/dbraw/zinc/35/13/67/170351367.db2.gz IZKQVCMKTOGYCT-AWEZNQCLSA-N 1 0 261.365 3.142 40 0 CGABRO CCCOc1ccc([C@H](C)[NH2+]CCCOC)cc1 ZINC000020142613 171028405 /nfs/dbraw/zinc/02/84/05/171028405.db2.gz ROVUFQJLAOHGGD-ZDUSSCGKSA-N 1 0 251.370 3.163 40 0 CGABRO CCOc1cc2c(cc1OCC)[C@@H](c1cccnc1)[NH2+]CC2 ZINC000020507123 171228655 /nfs/dbraw/zinc/22/86/55/171228655.db2.gz FEJWDECINNPEIH-GOSISDBHSA-N 1 0 298.386 3.114 40 0 CGABRO C[NH+](C)CCN(Cc1cccs1)Cc1ccc(F)cc1 ZINC000023247831 171417420 /nfs/dbraw/zinc/41/74/20/171417420.db2.gz ZLJUWUXKPSHCRD-UHFFFAOYSA-N 1 0 292.423 3.451 40 0 CGABRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000044137730 175145898 /nfs/dbraw/zinc/14/58/98/175145898.db2.gz CAAZPJWHENFKCC-HNNXBMFYSA-N 1 0 290.407 3.128 40 0 CGABRO C[NH+]1CCC(c2csc(Nc3ccccn3)n2)CC1 ZINC000072363438 176377766 /nfs/dbraw/zinc/37/77/66/176377766.db2.gz FLAVJWKXTBFNBV-UHFFFAOYSA-N 1 0 274.393 3.091 40 0 CGABRO c1cc2cc(C[C@H]3CC[N@H+](Cc4ccncc4)C3)cnc2[nH]1 ZINC000072367623 176382573 /nfs/dbraw/zinc/38/25/73/176382573.db2.gz CNIFZQZGSSJELU-OAHLLOKOSA-N 1 0 292.386 3.023 40 0 CGABRO C[N@@H+]1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000072379101 176385770 /nfs/dbraw/zinc/38/57/70/176385770.db2.gz WXQJJSSNYRIPGZ-MRXNPFEDSA-N 1 0 287.794 3.488 40 0 CGABRO Fc1cccc(CNc2cccc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000072386760 176392147 /nfs/dbraw/zinc/39/21/47/176392147.db2.gz KOFVWXHWUBFPHG-AWEZNQCLSA-N 1 0 271.339 3.257 40 0 CGABRO Clc1ccc([C@H]2[NH2+]CCc3nc4ccccc4n32)cc1 ZINC000019772815 274881841 /nfs/dbraw/zinc/88/18/41/274881841.db2.gz AILFLFZKOPXWGS-INIZCTEOSA-N 1 0 283.762 3.382 40 0 CGABRO CCCc1cccc2cc3c(nc21)O[C@H](C)C[NH2+]C3 ZINC000072392282 276056224 /nfs/dbraw/zinc/05/62/24/276056224.db2.gz AEQKKFCERZJCDC-LLVKDONJSA-N 1 0 256.349 3.058 40 0 CGABRO Cc1cccc(C(C)C)c1NC(=O)C1CC[NH+](C)CC1 ZINC000074713336 281198833 /nfs/dbraw/zinc/19/88/33/281198833.db2.gz PSWCNXNKQVHBDF-UHFFFAOYSA-N 1 0 274.408 3.399 40 0 CGABRO OC1CC[NH+](C2(c3ccccc3)CCCCC2)CC1 ZINC000001688557 304822060 /nfs/dbraw/zinc/82/20/60/304822060.db2.gz SLUMSLWGPLFKGY-UHFFFAOYSA-N 1 0 259.393 3.303 40 0 in-vitro CGABRO COc1ccc(N[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000218862889 333137524 /nfs/dbraw/zinc/13/75/24/333137524.db2.gz JLWDTMYSJVRIAT-VXGBXAGGSA-N 1 0 254.761 3.030 40 0 CGABRO CCCc1ccc(C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000199826772 521393575 /nfs/dbraw/zinc/39/35/75/521393575.db2.gz JHVTZYOLCSGRDQ-UHFFFAOYSA-N 1 0 268.360 3.350 40 0 CGABRO CCCC[C@@H](C(=O)c1ccc2c(c1)OCO2)N1CCCC1 ZINC000299817232 570387865 /nfs/dbraw/zinc/38/78/65/570387865.db2.gz OBLFRFGUZZRECT-AWEZNQCLSA-N 1 0 289.375 3.253 40 0 in-vitro CGABRO [NH3+][C@@H](Cc1ccccc1)c1nnc(-c2cccc(Cl)c2)[nH]1 ZINC000095534836 185008103 /nfs/dbraw/zinc/00/81/03/185008103.db2.gz YBUHDJRXVFHOMT-AWEZNQCLSA-N 1 0 298.777 3.368 40 0 CGABRO c1csc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000096046931 185073190 /nfs/dbraw/zinc/07/31/90/185073190.db2.gz WLUVVSQITBYVFW-KRWDZBQOSA-N 1 0 290.476 3.446 40 0 CGABRO CCOC1CC2(C1)CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000096063169 185082202 /nfs/dbraw/zinc/08/22/02/185082202.db2.gz GVZROVQSRWVHTP-UHFFFAOYSA-N 1 0 289.419 3.476 40 0 CGABRO CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)s1)C2 ZINC000096107446 185100242 /nfs/dbraw/zinc/10/02/42/185100242.db2.gz WZFALHYHYBXQTL-HOCLYGCPSA-N 1 0 295.448 3.217 40 0 CGABRO C[N@@H+]1CC[C@H](NCc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000012113181 344879679 /nfs/dbraw/zinc/87/96/79/344879679.db2.gz MGDXGLUHKKGPKT-MJGOQNOKSA-N 1 0 298.405 3.403 40 0 CGABRO CCC(CC)C[N@@H+]1CCC[C@@]2(CN([C@@H](C)CC)C2=O)C1 ZINC000585099348 346724756 /nfs/dbraw/zinc/72/47/56/346724756.db2.gz GVYAVJMIJQXTLN-YOEHRIQHSA-N 1 0 280.456 3.146 40 0 CGABRO Cc1cc(-c2ccc(C[C@@H]3CC[N@@H+](C(C)C)C3)cn2)n[nH]1 ZINC000585180191 346726177 /nfs/dbraw/zinc/72/61/77/346726177.db2.gz AYHQHKQHUUGNRA-HNNXBMFYSA-N 1 0 284.407 3.053 40 0 CGABRO CCCOc1cccc([C@H](C)[NH2+]CCCOC)c1 ZINC000225166630 189745203 /nfs/dbraw/zinc/74/52/03/189745203.db2.gz XXLQTYMEPTXXPJ-ZDUSSCGKSA-N 1 0 251.370 3.163 40 0 CGABRO CC[NH+](CC)CCOC(=O)c1c(C)c(C)cc(C)c1C ZINC000001641590 368426232 /nfs/dbraw/zinc/42/62/32/368426232.db2.gz AXRBDAFZVYQPLS-UHFFFAOYSA-N 1 0 277.408 3.419 40 0 CGABRO CCCC[NH2+]CCNc1cc(OC)cc2cccnc21 ZINC000001656149 368427498 /nfs/dbraw/zinc/42/74/98/368427498.db2.gz NYZSUTLXLBVQHX-UHFFFAOYSA-N 1 0 273.380 3.045 40 0 CGABRO C[C@@H](c1ccccc1)[C@H]([NH2+]CCO)c1ccccc1 ZINC000001666277 368427948 /nfs/dbraw/zinc/42/79/48/368427948.db2.gz KNEGDSSMOSXWRT-YOEHRIQHSA-N 1 0 255.361 3.113 40 0 CGABRO COc1ccc(C(=O)OCc2ccccc2C[NH+](C)C)cc1 ZINC000001716137 368434447 /nfs/dbraw/zinc/43/44/47/368434447.db2.gz PYNSQRYBVASIKX-UHFFFAOYSA-N 1 0 299.370 3.114 40 0 CGABRO [NH3+]C1C[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1 ZINC000001719795 368435924 /nfs/dbraw/zinc/43/59/24/368435924.db2.gz QJXPNWHACFMWAI-IRXDYDNUSA-N 1 0 252.361 3.180 40 0 CGABRO Cc1c2ccccc2oc1C(=O)O[C@@H](C)CC[NH+](C)C ZINC000003066415 368489578 /nfs/dbraw/zinc/48/95/78/368489578.db2.gz VPHHSHONAAVEJM-NSHDSACASA-N 1 0 275.348 3.238 40 0 CGABRO Cc1[nH]c2ccccc2c(=O)c1C[NH2+]Cc1ccccc1 ZINC000004170350 368535623 /nfs/dbraw/zinc/53/56/23/368535623.db2.gz MFIGWSBMCIBDPT-UHFFFAOYSA-N 1 0 278.355 3.126 40 0 CGABRO CC[C@@]1(OC(=O)c2ccccc2)C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000004525099 368549975 /nfs/dbraw/zinc/54/99/75/368549975.db2.gz NKBPLOQRMUVJTN-GRDNDAEWSA-N 1 0 275.392 3.352 40 0 CGABRO Oc1ccc(CC[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000015423534 368694459 /nfs/dbraw/zinc/69/44/59/368694459.db2.gz RDCMXQHFRCIYAG-UHFFFAOYSA-N 1 0 266.344 3.206 40 0 CGABRO Cc1ccc(C[N@H+](CCO)Cc2cccs2)cc1 ZINC000013997395 368672570 /nfs/dbraw/zinc/67/25/70/368672570.db2.gz PKSAYMFPVFJECQ-UHFFFAOYSA-N 1 0 261.390 3.051 40 0 CGABRO Cc1ccccc1CN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019789422 368765879 /nfs/dbraw/zinc/76/58/79/368765879.db2.gz DPCQQPCWHPGDFM-WSTZPKSXSA-N 1 0 296.458 3.325 40 0 CGABRO C/C(=C\c1ccccc1)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000019575672 368757100 /nfs/dbraw/zinc/75/71/00/368757100.db2.gz AEWGFUWDVPVAQA-HOXGWFAJSA-N 1 0 270.420 3.258 40 0 CGABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)cc1 ZINC000019575108 368757126 /nfs/dbraw/zinc/75/71/26/368757126.db2.gz ZIOAUZBPCQZRLP-IUODEOHRSA-N 1 0 264.800 3.009 40 0 CGABRO C[NH+](C)C1(c2ccc(Cl)cc2)CCC(=O)CC1 ZINC000027429219 368871726 /nfs/dbraw/zinc/87/17/26/368871726.db2.gz GIPFCXTUXOTXRL-UHFFFAOYSA-N 1 0 251.757 3.240 40 0 CGABRO C[C@H]([N@H+](C)Cc1ccccc1)[C@@](C)(O)c1ccccc1 ZINC000031924772 368921234 /nfs/dbraw/zinc/92/12/34/368921234.db2.gz WZULUTBDZYYRJF-MAUKXSAKSA-N 1 0 269.388 3.415 40 0 CGABRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000053906585 369489449 /nfs/dbraw/zinc/48/94/49/369489449.db2.gz USLZOFHFXTUGBC-HNNXBMFYSA-N 1 0 263.381 3.497 40 0 CGABRO C[NH+](C)CCCNCc1ccc(-c2ccccc2)cc1 ZINC000057370945 369536682 /nfs/dbraw/zinc/53/66/82/369536682.db2.gz CIWVHRHUSGPMSQ-UHFFFAOYSA-N 1 0 268.404 3.395 40 0 CGABRO COc1cccc(C[NH2+]CCCc2nc3ccccc3[nH]2)c1 ZINC000062718653 369630357 /nfs/dbraw/zinc/63/03/57/369630357.db2.gz LRCGEXZBTUMLIQ-UHFFFAOYSA-N 1 0 295.386 3.294 40 0 CGABRO Cc1[nH]c2ccc(C)cc2c1C[NH2+]Cc1ccccn1 ZINC000064864597 369661218 /nfs/dbraw/zinc/66/12/18/369661218.db2.gz VWCOKGASHHJQJU-UHFFFAOYSA-N 1 0 265.360 3.470 40 0 CGABRO c1cnc(N2CCCCCC2)c([C@@H]2CCCC[NH2+]2)c1 ZINC000072216714 369816334 /nfs/dbraw/zinc/81/63/34/369816334.db2.gz ADUHBQUBSLKFLW-HNNXBMFYSA-N 1 0 259.397 3.277 40 0 CGABRO Cc1sc2c([C@@H]3CCC[N@@H+](C)C3)nc(C)n2c1C ZINC000072367697 369817097 /nfs/dbraw/zinc/81/70/97/369817097.db2.gz PANKDPVBNNGTQY-GFCCVEGCSA-N 1 0 263.410 3.130 40 0 CGABRO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000096183059 370207404 /nfs/dbraw/zinc/20/74/04/370207404.db2.gz WDQYGYKLAFGFEI-NZSAHSFTSA-N 1 0 299.462 3.024 40 0 CGABRO CC(C)[NH+]1CCC2(CCCN(C(=O)c3ccoc3)C2)CC1 ZINC000096217453 370208653 /nfs/dbraw/zinc/20/86/53/370208653.db2.gz QMFHTDXEJSKHMW-UHFFFAOYSA-N 1 0 290.407 3.006 40 0 CGABRO Fc1cccc(Oc2cccc(C3CC[NH2+]CC3)n2)c1 ZINC000257197514 190010041 /nfs/dbraw/zinc/01/00/41/190010041.db2.gz BPXDUGVMWDFAHV-UHFFFAOYSA-N 1 0 272.323 3.480 40 0 CGABRO CC(C)n1nccc1-c1ccc(C[C@H]2CCC[NH2+]C2)cn1 ZINC000257256224 190021366 /nfs/dbraw/zinc/02/13/66/190021366.db2.gz KKNMSNVNASROHW-CQSZACIVSA-N 1 0 284.407 3.068 40 0 CGABRO Cc1nccc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000257264010 190022191 /nfs/dbraw/zinc/02/21/91/190022191.db2.gz LSLMMKUJHAOENL-INIZCTEOSA-N 1 0 267.376 3.165 40 0 CGABRO CNc1cc([C@H]2CCC[N@@H+]2Cc2cccc(C)n2)ccn1 ZINC000257282969 190026528 /nfs/dbraw/zinc/02/65/28/190026528.db2.gz OWCDVFIREMKEND-MRXNPFEDSA-N 1 0 282.391 3.164 40 0 CGABRO Cc1c[nH]nc1[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000257293584 190028707 /nfs/dbraw/zinc/02/87/07/190028707.db2.gz QQFNGKRKFMIBAX-OAHLLOKOSA-N 1 0 287.382 3.279 40 0 CGABRO Cc1cc(CC2CC[NH+](Cc3cncs3)CC2)ccn1 ZINC000257315693 190032979 /nfs/dbraw/zinc/03/29/79/190032979.db2.gz VCLBAJXDOJTZJR-UHFFFAOYSA-N 1 0 287.432 3.301 40 0 CGABRO Cc1cnc(-c2ccc(CC3CC[NH2+]CC3)cn2)s1 ZINC000257327075 190034518 /nfs/dbraw/zinc/03/45/18/190034518.db2.gz WZVCWMKJIHGHPO-UHFFFAOYSA-N 1 0 273.405 3.056 40 0 CGABRO CCCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000225161910 376296450 /nfs/dbraw/zinc/29/64/50/376296450.db2.gz XJUHXZSRFBKDGD-ZIAGYGMSSA-N 1 0 263.381 3.305 40 0 CGABRO COCC[NH2+][C@@H](C)c1cccc(OCC(C)C)c1 ZINC000225166337 376296865 /nfs/dbraw/zinc/29/68/65/376296865.db2.gz LNDOANFGPHDOOL-ZDUSSCGKSA-N 1 0 251.370 3.018 40 0 CGABRO c1cn2c(n1)CN(Cc1cscn1)[C@@H](c1ccccc1)C2 ZINC000257315902 377796740 /nfs/dbraw/zinc/79/67/40/377796740.db2.gz VDEUKROEIWGAGY-OAHLLOKOSA-N 1 0 296.399 3.097 40 0 CGABRO O=C1c2cc(Cl)ccc2[N+](=O)C1c1ccccc1 ZINC000001618479 285014675 /nfs/dbraw/zinc/01/46/75/285014675.db2.gz QDQMICQBCNQCIY-UHFFFAOYSA-N 1 0 257.676 3.167 40 0 CGABRO CC[NH+](CC)CCNc1cc(C)c2ccccc2n1 ZINC000095094729 184942089 /nfs/dbraw/zinc/94/20/89/184942089.db2.gz FLZZERDQVKWCBX-UHFFFAOYSA-N 1 0 257.381 3.297 40 0 CGABRO Cc1cc(SC(C)(C)C)cnc1N1CC[NH+](C)CC1 ZINC000072222573 291981256 /nfs/dbraw/zinc/98/12/56/291981256.db2.gz OZPIJMLWLCECPE-UHFFFAOYSA-N 1 0 279.453 3.032 40 0 CGABRO C[NH+](C)CC[C@](O)(CCc1ccccc1)c1ccccc1 ZINC000000084965 391905361 /nfs/dbraw/zinc/90/53/61/391905361.db2.gz HXLXJOODQVGSCM-LJQANCHMSA-N 1 0 283.415 3.459 40 0 CGABRO COc1ccc(Cl)cc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000218863731 130771228 /nfs/dbraw/zinc/77/12/28/130771228.db2.gz WVRSTKHYYCENAQ-GHMZBOCLSA-N 1 0 254.761 3.030 40 0 CGABRO O=c1[nH]cccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072212296 392197558 /nfs/dbraw/zinc/19/75/58/392197558.db2.gz SUNLZQURLDMAFQ-HNNXBMFYSA-N 1 0 254.333 3.124 40 0 CGABRO Cc1cc([C@@H]2CCCC[NH2+]2)cnc1N1CCCCC1 ZINC000072219172 392200408 /nfs/dbraw/zinc/20/04/08/392200408.db2.gz XQQBJSXEBDCLGW-HNNXBMFYSA-N 1 0 259.397 3.195 40 0 CGABRO CCN(CC)c1cc(C)c([C@H]([NH3+])c2ccccc2)cn1 ZINC000072223270 392202830 /nfs/dbraw/zinc/20/28/30/392202830.db2.gz XHMNXPNRNLCBML-QGZVFWFLSA-N 1 0 269.392 3.284 40 0 CGABRO CC[C@H]([NH3+])c1cnc(NCc2ccccc2)cc1C ZINC000072223376 392203140 /nfs/dbraw/zinc/20/31/40/392203140.db2.gz RQHWHOFENLJAEQ-HNNXBMFYSA-N 1 0 255.365 3.412 40 0 CGABRO CC[C@H]([NH3+])c1ccc(N(C)Cc2ccccc2)nc1C ZINC000072224445 392204647 /nfs/dbraw/zinc/20/46/47/392204647.db2.gz JFESVYXULFGGFB-INIZCTEOSA-N 1 0 269.392 3.436 40 0 CGABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)cc1 ZINC000072324438 392206083 /nfs/dbraw/zinc/20/60/83/392206083.db2.gz ZIOAUZBPCQZRLP-SWLSCSKDSA-N 1 0 264.800 3.009 40 0 CGABRO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000005186734 170074858 /nfs/dbraw/zinc/07/48/58/170074858.db2.gz CLXJBSWMGNPNLE-ULQDDVLXSA-N 1 0 291.435 3.306 40 0 CGABRO CCC[C@H](C)[NH2+]CCNc1cc(OC)cc2cccnc21 ZINC000005839101 170145577 /nfs/dbraw/zinc/14/55/77/170145577.db2.gz SLWCTCDASNOOMA-ZDUSSCGKSA-N 1 0 287.407 3.434 40 0 CGABRO Cc1ccc(NC(=O)[C@@H](C)[NH2+]CC(C)C)cc1Cl ZINC000006522849 170209355 /nfs/dbraw/zinc/20/93/55/170209355.db2.gz CVSQBMBZNMGSEO-LLVKDONJSA-N 1 0 268.788 3.221 40 0 CGABRO OCC[NH2+][C@H](Cc1ccccc1)c1ccccc1Cl ZINC000006580811 170215456 /nfs/dbraw/zinc/21/54/56/170215456.db2.gz DGPTUOCACJKOGN-MRXNPFEDSA-N 1 0 275.779 3.206 40 0 CGABRO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000006933952 170256812 /nfs/dbraw/zinc/25/68/12/170256812.db2.gz CEZPKIGJZWWHJT-ABAIWWIYSA-N 1 0 256.349 3.152 40 0 CGABRO CCCC[NH2+]Cc1ccc(OCC)c(OCC)c1 ZINC000007261688 170273675 /nfs/dbraw/zinc/27/36/75/170273675.db2.gz QSAQISYPCATNCC-UHFFFAOYSA-N 1 0 251.370 3.374 40 0 CGABRO CCOc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000008324115 170330861 /nfs/dbraw/zinc/33/08/61/170330861.db2.gz QXWJIXHEKDUIHC-UHFFFAOYSA-N 1 0 285.343 3.104 40 0 CGABRO CC[NH+](CC)CC(=O)Nc1c(Cl)[nH]c2ccccc21 ZINC000009942950 170391398 /nfs/dbraw/zinc/39/13/98/170391398.db2.gz MDKNMGUVHWBQQC-UHFFFAOYSA-N 1 0 279.771 3.102 40 0 CGABRO C[C@@H]([NH3+])c1nc2ccccc2n1Cc1ccccc1 ZINC000016778379 170712458 /nfs/dbraw/zinc/71/24/58/170712458.db2.gz JCZLTHLKPYBYQF-GFCCVEGCSA-N 1 0 251.333 3.104 40 0 CGABRO CC[C@H](C)[C@@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441213 173211318 /nfs/dbraw/zinc/21/13/18/173211318.db2.gz PURFUQMZTZSMDZ-WRWORJQWSA-N 1 0 282.185 3.371 40 0 CGABRO COc1ccccc1Cc1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072356427 176375535 /nfs/dbraw/zinc/37/55/35/176375535.db2.gz ABQIQEWHQLDKEX-HNNXBMFYSA-N 1 0 282.387 3.148 40 0 CGABRO Cc1ccc(Cc2cnc(C3CC[NH+](C)CC3)cn2)cc1 ZINC000072360591 176376769 /nfs/dbraw/zinc/37/67/69/176376769.db2.gz PNBDCCPUWPCNPP-UHFFFAOYSA-N 1 0 281.403 3.185 40 0 CGABRO C[N@@H+]1CCC[C@@H](c2cccc(Oc3cccnc3)n2)C1 ZINC000072365070 176380179 /nfs/dbraw/zinc/38/01/79/176380179.db2.gz WXGXKTHHXUBWTB-CYBMUJFWSA-N 1 0 269.348 3.078 40 0 CGABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)cc1F ZINC000072369373 176384358 /nfs/dbraw/zinc/38/43/58/176384358.db2.gz UQJPUJQECLTKLU-CYBMUJFWSA-N 1 0 289.329 3.134 40 0 CGABRO c1ccc(Cc2ccnc(C3CC[NH2+]CC3)c2)cc1 ZINC000072384551 176388636 /nfs/dbraw/zinc/38/86/36/176388636.db2.gz OKPSPKUMQTWFMZ-UHFFFAOYSA-N 1 0 252.361 3.139 40 0 CGABRO CCSc1ncc(C[NH2+]C2CCCCCC2)cn1 ZINC000062717311 262299087 /nfs/dbraw/zinc/29/90/87/262299087.db2.gz GFUCKSQSIPQWEY-UHFFFAOYSA-N 1 0 265.426 3.401 40 0 CGABRO Nc1ccc2[nH+]c(-c3ccc(F)cc3)cc(N)c2c1 ZINC000091692574 274965030 /nfs/dbraw/zinc/96/50/30/274965030.db2.gz JUTOAAFTSUUEFP-UHFFFAOYSA-N 1 0 253.280 3.205 40 0 CGABRO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCC[NH2+][C@@H]3C[C@H]21 ZINC000257297574 276157372 /nfs/dbraw/zinc/15/73/72/276157372.db2.gz RHWIJKWPMKYMGA-XOUADPBQSA-N 1 0 273.376 3.056 40 0 CGABRO C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000072203614 277294980 /nfs/dbraw/zinc/29/49/80/277294980.db2.gz YNQUKWKYHCBZSO-GFCCVEGCSA-N 1 0 273.207 3.177 40 0 CGABRO CC[C@@](O)(c1ccccc1)[C@@H](C)C[NH+]1CCCCC1 ZINC000001641268 280633350 /nfs/dbraw/zinc/63/33/50/280633350.db2.gz DQARXIRSJUEDFK-RDJZCZTQSA-N 1 0 261.409 3.406 40 0 CGABRO C[C@@H]1C[C@@H](OC[C@@H](O)C[NH+]2CCCCC2)CC(C)(C)C1 ZINC000033526433 288574930 /nfs/dbraw/zinc/57/49/30/288574930.db2.gz AMTVBNMAIGCREU-OWCLPIDISA-N 1 0 283.456 3.065 40 0 CGABRO C[NH2+]C[C@H](OC(C)C)c1cccc(C(F)(F)F)c1 ZINC000062711733 522076050 /nfs/dbraw/zinc/07/60/50/522076050.db2.gz GWWXTUDGSQPWCT-LBPRGKRZSA-N 1 0 261.287 3.391 40 0 CGABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccsc1 ZINC000096055772 185076800 /nfs/dbraw/zinc/07/68/00/185076800.db2.gz PACJVHNKSIYBPW-LSDHHAIUSA-N 1 0 264.438 3.053 40 0 CGABRO O[C@@H]1CC[N@H+](Cc2ccc(F)cc2)[C@H]1Cc1ccccc1 ZINC000096061560 185082785 /nfs/dbraw/zinc/08/27/85/185082785.db2.gz WAKGCWFPLCVNEM-ZWKOTPCHSA-N 1 0 285.362 3.004 40 0 CGABRO Cc1cc(C)c(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000006008547 344863698 /nfs/dbraw/zinc/86/36/98/344863698.db2.gz RRGHERDNNOVPPF-IAGOWNOFSA-N 1 0 291.435 3.226 40 0 CGABRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3NC(=O)CCC[C@H]32)cc1 ZINC000019713264 344890842 /nfs/dbraw/zinc/89/08/42/344890842.db2.gz XEDGPPXUIDHPRP-IAGOWNOFSA-N 1 0 286.419 3.053 40 0 CGABRO COC(=O)[C@@H](c1ccc2ccccc2c1)[C@@H]1CCCC[NH2+]1 ZINC000140874207 346106263 /nfs/dbraw/zinc/10/62/63/346106263.db2.gz DNRNSIJBSCBESJ-IRXDYDNUSA-N 1 0 283.371 3.239 40 0 CGABRO CCN1C(=O)CC[C@]12CCC[N@H+](CC1CCCCC1)CC2 ZINC000585100691 346724405 /nfs/dbraw/zinc/72/44/05/346724405.db2.gz SWLBQZHSKKOFDP-SFHVURJKSA-N 1 0 292.467 3.434 40 0 CGABRO Cc1ccn2ncc(-c3cccc([C@@H]4CCC[NH2+]C4)n3)c2c1 ZINC000585262814 346726054 /nfs/dbraw/zinc/72/60/54/346726054.db2.gz IISMHTMQJCPOKN-CQSZACIVSA-N 1 0 292.386 3.172 40 0 CGABRO CCCCOc1ccc([C@@H](C)[NH2+]CCOC)cc1 ZINC000225169495 189744851 /nfs/dbraw/zinc/74/48/51/189744851.db2.gz OUBGPSGMTYCSQY-CYBMUJFWSA-N 1 0 251.370 3.163 40 0 CGABRO CC(=O)Nc1nc(-c2ccccc2)[n+](-c2ccccc2)s1 ZINC000000238361 368321993 /nfs/dbraw/zinc/32/19/93/368321993.db2.gz QYXWHMDYMVPARY-UHFFFAOYSA-O 1 0 296.375 3.045 40 0 CGABRO CC[C@@H](C)[C@@H](C(=O)OC1CC[NH+](C)CC1)c1ccccc1 ZINC000000155896 368305107 /nfs/dbraw/zinc/30/51/07/368305107.db2.gz UKQYEYCQIQBHBC-RHSMWYFYSA-N 1 0 289.419 3.454 40 0 in-man CGABRO C[NH+](C)[C@@H]1Cc2ccccc2[C@@H]1OC(=O)c1ccccc1 ZINC000001568912 368419042 /nfs/dbraw/zinc/41/90/42/368419042.db2.gz XHYXVRAZPBSVMR-SJORKVTESA-N 1 0 281.355 3.071 40 0 CGABRO CC[NH+](CC)CCOC(=O)c1ccc(Cl)cc1Cl ZINC000003160042 368495347 /nfs/dbraw/zinc/49/53/47/368495347.db2.gz DFTYRYYXGZCRKV-UHFFFAOYSA-N 1 0 290.190 3.492 40 0 CGABRO CSC(Cc1cccc2ccccc21)=[N+]1CCOCC1 ZINC000016248613 368710316 /nfs/dbraw/zinc/71/03/16/368710316.db2.gz XDHIWZBNXCDVCD-UHFFFAOYSA-N 1 0 286.420 3.187 40 0 CGABRO [NH3+]Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000019389590 368749954 /nfs/dbraw/zinc/74/99/54/368749954.db2.gz OCQKKZFQSSJKRL-UHFFFAOYSA-N 1 0 294.276 3.416 40 0 CGABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccco1)Cc1ccccn1 ZINC000019527164 368757130 /nfs/dbraw/zinc/75/71/30/368757130.db2.gz GENIFBSXQCGEPA-KRWDZBQOSA-N 1 0 299.418 3.161 40 0 CGABRO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000024718093 368834332 /nfs/dbraw/zinc/83/43/32/368834332.db2.gz KLNGFIBGXXNTLD-WMLDXEAASA-N 1 0 255.361 3.241 40 0 CGABRO CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000019963777 368791103 /nfs/dbraw/zinc/79/11/03/368791103.db2.gz ZCGNYRHJIHICCJ-XJKSGUPXSA-N 1 0 263.381 3.305 40 0 CGABRO c1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000026898119 368866645 /nfs/dbraw/zinc/86/66/45/368866645.db2.gz HMGDLYUTYLPXDR-QGZVFWFLSA-N 1 0 253.345 3.340 40 0 CGABRO CC1CCC(N2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)CC1 ZINC000034118387 368972860 /nfs/dbraw/zinc/97/28/60/368972860.db2.gz ALKCVQHSCHWEHN-CKGODYTQSA-N 1 0 288.479 3.395 40 0 CGABRO CCC[NH+](CCC)Cc1ccc(C(=O)OCC)o1 ZINC000037625078 369093537 /nfs/dbraw/zinc/09/35/37/369093537.db2.gz NYDSYLNXFJNDQK-UHFFFAOYSA-N 1 0 253.342 3.078 40 0 CGABRO CC(C)[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000049824731 369416250 /nfs/dbraw/zinc/41/62/50/369416250.db2.gz KFSWCSCKHIPSMT-UHFFFAOYSA-N 1 0 262.180 3.196 40 0 CGABRO Clc1ccc(COC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000051816461 369454776 /nfs/dbraw/zinc/45/47/76/369454776.db2.gz YWMCIWWJLKONAP-LLVKDONJSA-N 1 0 260.164 3.262 40 0 CGABRO CC[C@H](C)Oc1ccccc1C[NH2+]C[C@@H]1CCCO1 ZINC000066115693 369687751 /nfs/dbraw/zinc/68/77/51/369687751.db2.gz BUTNOOXYCKSCCH-ZFWWWQNUSA-N 1 0 263.381 3.133 40 0 CGABRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000067801169 369730199 /nfs/dbraw/zinc/73/01/99/369730199.db2.gz LTVAXKIZYRUIFE-OAHLLOKOSA-N 1 0 290.407 3.094 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccc(-c2ccc(N)nc2)n1 ZINC000072357538 369817234 /nfs/dbraw/zinc/81/72/34/369817234.db2.gz ZYBTXWLQVVCJRI-MRXNPFEDSA-N 1 0 282.391 3.271 40 0 CGABRO OC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000070453073 369799796 /nfs/dbraw/zinc/79/97/96/369799796.db2.gz YDKXUUMQZUDEPO-ZDUSSCGKSA-N 1 0 273.298 3.225 40 0 CGABRO O=C1CCC2(CC[NH+](CC3CC3)CC2)N1Cc1ccccc1 ZINC000096228230 370208516 /nfs/dbraw/zinc/20/85/16/370208516.db2.gz GTLUPGGULFBMOK-UHFFFAOYSA-N 1 0 298.430 3.054 40 0 CGABRO C[N@@H+]1CC[C@@H](OCc2cccnc2)[C@@H](Cc2ccccc2)C1 ZINC000096218168 370208827 /nfs/dbraw/zinc/20/88/27/370208827.db2.gz OAHSFYABROSXNM-RBUKOAKNSA-N 1 0 296.414 3.161 40 0 CGABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC000100809289 370283389 /nfs/dbraw/zinc/28/33/89/370283389.db2.gz OIPIXXMRLUTIJH-OKILXGFUSA-N 1 0 282.428 3.212 40 0 CGABRO Fc1ccc(C[NH2+]Cc2ccnn2-c2ccccc2)s1 ZINC000256053604 190004680 /nfs/dbraw/zinc/00/46/80/190004680.db2.gz SBQRRHURLQIZCO-UHFFFAOYSA-N 1 0 287.363 3.363 40 0 CGABRO Cc1ccsc1C[N@H+]1CC[C@@H](c2n[nH]cc2C)C1 ZINC000257231544 190015912 /nfs/dbraw/zinc/01/59/12/190015912.db2.gz GHFDYIHGKHNOEK-GFCCVEGCSA-N 1 0 261.394 3.078 40 0 CGABRO CCc1nc(C)c(C[NH+]2CCC(Cc3ccncc3)CC2)[nH]1 ZINC000257229913 190016238 /nfs/dbraw/zinc/01/62/38/190016238.db2.gz FZZASRRXWLFPEJ-UHFFFAOYSA-N 1 0 298.434 3.130 40 0 CGABRO CC(C)n1nccc1C[N@@H+]1CCC[C@H](Cc2ccccn2)C1 ZINC000257237413 190017943 /nfs/dbraw/zinc/01/79/43/190017943.db2.gz HGITYINOHXVACX-MRXNPFEDSA-N 1 0 298.434 3.314 40 0 CGABRO Fc1ccccc1Cc1cnc([C@H]2CCCC[NH2+]2)o1 ZINC000257251308 190020005 /nfs/dbraw/zinc/02/00/05/190020005.db2.gz JQFDJAOPZCLRCR-CQSZACIVSA-N 1 0 260.312 3.219 40 0 CGABRO CC(C)n1nccc1-c1cc(C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000257256300 190021958 /nfs/dbraw/zinc/02/19/58/190021958.db2.gz KKWJFANHRBKTNY-HNNXBMFYSA-N 1 0 284.407 3.020 40 0 CGABRO CN1[C@H](c2ccccc2)C[C@]2(C)[NH2+]CCCCC[C@H]12 ZINC000257312298 190031662 /nfs/dbraw/zinc/03/16/62/190031662.db2.gz UNGJZLCSSKWECX-ULQDDVLXSA-N 1 0 258.409 3.354 40 0 CGABRO CC(C)[N@H+]1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257296417 190028437 /nfs/dbraw/zinc/02/84/37/190028437.db2.gz RCTJWMKDBOHVTD-IKGGRYGDSA-N 1 0 286.419 3.269 40 0 CGABRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)n1 ZINC000257307226 190031345 /nfs/dbraw/zinc/03/13/45/190031345.db2.gz SXSOLKYFRBIOJU-ZDUSSCGKSA-N 1 0 289.329 3.053 40 0 CGABRO c1cncc(C[N@H+]2CCC[C@@H]2CCc2ccncc2)c1 ZINC000257310278 190032249 /nfs/dbraw/zinc/03/22/49/190032249.db2.gz UELUVDQGZSRIHV-QGZVFWFLSA-N 1 0 267.376 3.074 40 0 CGABRO c1coc(Cc2ccc(C[NH2+]Cc3ccccc3)[nH]2)c1 ZINC000226021212 376339379 /nfs/dbraw/zinc/33/93/79/376339379.db2.gz DKMQISSBSZNKFW-UHFFFAOYSA-N 1 0 266.344 3.488 40 0 CGABRO CCCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000225167176 376296604 /nfs/dbraw/zinc/29/66/04/376296604.db2.gz WXAFJFPTBGVTKM-BBRMVZONSA-N 1 0 263.381 3.305 40 0 CGABRO CCCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000225161873 376296615 /nfs/dbraw/zinc/29/66/15/376296615.db2.gz XJUHXZSRFBKDGD-KBPBESRZSA-N 1 0 263.381 3.305 40 0 CGABRO C[C@H]1C[C@@H]([NH3+])c2ccccc2N1C(=O)OC(C)(C)C ZINC000242722800 376782796 /nfs/dbraw/zinc/78/27/96/376782796.db2.gz XVHAIQLVLSSAMN-CMPLNLGQSA-N 1 0 262.353 3.220 40 0 CGABRO Cc1n[nH]c(C)c1-c1nccnc1C1CC[NH+](C(C)C)CC1 ZINC000257296525 377795706 /nfs/dbraw/zinc/79/57/06/377795706.db2.gz RDEYJWFPKMVYER-UHFFFAOYSA-N 1 0 299.422 3.071 40 0 CGABRO Cc1cc(NC2CC2)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223821 256704856 /nfs/dbraw/zinc/70/48/56/256704856.db2.gz GSUKGHWMMZZPKN-INIZCTEOSA-N 1 0 253.349 3.012 40 0 CGABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213782 256712940 /nfs/dbraw/zinc/71/29/40/256712940.db2.gz UTPADXRTRZFZKM-HNNXBMFYSA-N 1 0 259.397 3.449 40 0 CGABRO C[N@@H+]1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212005 392196969 /nfs/dbraw/zinc/19/69/69/392196969.db2.gz VHQKLEXLXFXILK-INIZCTEOSA-N 1 0 268.360 3.427 40 0 CGABRO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072214451 392198660 /nfs/dbraw/zinc/19/86/60/392198660.db2.gz DVWBRMATBLGORP-CYBMUJFWSA-N 1 0 291.395 3.268 40 0 CGABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216033 392200286 /nfs/dbraw/zinc/20/02/86/392200286.db2.gz IXTPLFKJESMBKL-OAHLLOKOSA-N 1 0 259.397 3.229 40 0 CGABRO CC[C@@H]([NH3+])c1ccc(N2CCc3ccccc3C2)nc1 ZINC000072225773 392204287 /nfs/dbraw/zinc/20/42/87/392204287.db2.gz JJPGAMWSMJFDEQ-MRXNPFEDSA-N 1 0 267.376 3.054 40 0 CGABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@]1(CC[NH2+]1)CC2 ZINC000306145564 392635166 /nfs/dbraw/zinc/63/51/66/392635166.db2.gz IPJYHMVFGPGMBW-MRXNPFEDSA-N 1 0 274.364 3.168 40 0 CGABRO CC[C@@H](OC[C@H](O)C[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000002694580 169820504 /nfs/dbraw/zinc/82/05/04/169820504.db2.gz RNHFVWMMSZZINT-CGTJXYLNSA-N 1 0 291.435 3.247 40 0 CGABRO CC[C@]12CCCC[C@H]1[C@H]([NH2+]C)Cc1ccc(OC)c(O)c12 ZINC000005732942 170134857 /nfs/dbraw/zinc/13/48/57/170134857.db2.gz CBFWFEDSFMJHCD-IYOUNJFTSA-N 1 0 289.419 3.383 40 0 CGABRO COc1ccc([C@@H](C[NH3+])c2c[nH]c3ccccc32)cc1OC ZINC000006645712 170222017 /nfs/dbraw/zinc/22/20/17/170222017.db2.gz OXLBNWSOHKGKCV-CQSZACIVSA-N 1 0 296.370 3.276 40 0 CGABRO COc1cccc(C[NH2+]Cc2cccs2)c1OC ZINC000008495199 170338198 /nfs/dbraw/zinc/33/81/98/170338198.db2.gz NWGOXABHMQLBHP-UHFFFAOYSA-N 1 0 263.362 3.055 40 0 CGABRO [NH3+]CCc1nc(-c2ccc(C(F)(F)F)cc2)cs1 ZINC000019482665 170810206 /nfs/dbraw/zinc/81/02/06/170810206.db2.gz KAFUDWONRRWVRR-UHFFFAOYSA-N 1 0 272.295 3.330 40 0 CGABRO COc1cc(C[NH2+]CC(C)C)ccc1OC(C)C ZINC000020085820 170987660 /nfs/dbraw/zinc/98/76/60/170987660.db2.gz RNCIRVMJXWGQOU-UHFFFAOYSA-N 1 0 251.370 3.228 40 0 CGABRO Cc1ccccc1C[N@@H+]1CC[C@H](c2nc3cccnc3[nH]2)C1 ZINC000035442897 172202422 /nfs/dbraw/zinc/20/24/22/172202422.db2.gz XYSAELPEUXGHAR-HNNXBMFYSA-N 1 0 292.386 3.256 40 0 biogenic,in-vitro CGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000046374486 175396007 /nfs/dbraw/zinc/39/60/07/175396007.db2.gz MMLADDKGXGDAND-UHFFFAOYSA-N 1 0 294.398 3.212 40 0 CGABRO Cc1cccc(Cc2cccc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000072356411 176375533 /nfs/dbraw/zinc/37/55/33/176375533.db2.gz QSJFLQUXVLTWCD-MRXNPFEDSA-N 1 0 266.388 3.448 40 0 CGABRO Fc1ccccc1Cc1ccnc(C2CC[NH2+]CC2)c1 ZINC000072386497 176391550 /nfs/dbraw/zinc/39/15/50/176391550.db2.gz NCANGQCQBUSDHW-UHFFFAOYSA-N 1 0 270.351 3.279 40 0 CGABRO Cc1ccc(Cc2cc([C@@H]3CCC[NH2+]3)nc(C)n2)cc1 ZINC000072386830 176392338 /nfs/dbraw/zinc/39/23/38/176392338.db2.gz DIIBETQACVYMNS-INIZCTEOSA-N 1 0 267.376 3.109 40 0 CGABRO Cc1nc(N2CCCc3ccccc32)ccc1[C@H](C)[NH3+] ZINC000072224965 274841269 /nfs/dbraw/zinc/84/12/69/274841269.db2.gz LTEJKIYLIWSWAP-LBPRGKRZSA-N 1 0 267.376 3.494 40 0 CGABRO C[N@H+]1CC=C(c2nc3cc(Br)ccc3o2)CC1 ZINC000226251055 277023547 /nfs/dbraw/zinc/02/35/47/277023547.db2.gz ZXTUIGUELBDRCI-UHFFFAOYSA-N 1 0 293.164 3.309 40 0 CGABRO COc1cc2c(cc1OC)[C@@H](Cc1ccccc1)[NH2+]CC2 ZINC000004262570 277854485 /nfs/dbraw/zinc/85/44/85/277854485.db2.gz HWNSTGWDEVWFNH-MRXNPFEDSA-N 1 0 283.371 3.133 40 0 biogenic,in-vitro CGABRO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000072208966 279894902 /nfs/dbraw/zinc/89/49/02/279894902.db2.gz JIMJVFSLVVNKKW-UONOGXRCSA-N 1 0 278.396 3.236 40 0 CGABRO Clc1cccc(-c2nccn2C2CC[NH2+]CC2)c1 ZINC000082735360 178256050 /nfs/dbraw/zinc/25/60/50/178256050.db2.gz PZKYHFJUCFXUAB-UHFFFAOYSA-N 1 0 261.756 3.128 40 0 CGABRO COc1ccc(C[C@H]2C[N@H+](C3CCC3)CC[C@H]2OC)cc1 ZINC000096110276 185101347 /nfs/dbraw/zinc/10/13/47/185101347.db2.gz WDXPRVXXABNPAZ-MAUKXSAKSA-N 1 0 289.419 3.127 40 0 CGABRO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1OC(=O)c1ccccc1 ZINC000001869862 282226890 /nfs/dbraw/zinc/22/68/90/282226890.db2.gz LBQGJHNNGUZLOH-MSOLQXFVSA-N 1 0 295.382 3.461 40 0 CGABRO O[C@@]12CCCC[C@H]1C[N@H+](CC1=Cc3ccccc3OC1)CC2 ZINC000019375136 344889922 /nfs/dbraw/zinc/88/99/22/344889922.db2.gz DRALRCCXSSHPOB-PKOBYXMFSA-N 1 0 299.414 3.089 40 0 CGABRO C[C@H](C[NH3+])n1cc(-c2ccc(C(C)(C)C)cc2)cn1 ZINC000085390922 179047700 /nfs/dbraw/zinc/04/77/00/179047700.db2.gz HYAWQKWAESDIPP-GFCCVEGCSA-N 1 0 257.381 3.367 40 0 CGABRO CC1(C)[C@H](OC[C@H](O)C[NH+]2CCCCC2)[C@]2(C)CC[C@H]1C2 ZINC000253479025 346394450 /nfs/dbraw/zinc/39/44/50/346394450.db2.gz OHDMBSYWCBGUMT-UIBIWLFHSA-N 1 0 295.467 3.065 40 0 CGABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH+]1CCCC1 ZINC000585290325 346725883 /nfs/dbraw/zinc/72/58/83/346725883.db2.gz VANHYUNILFDWMK-ARFHVFGLSA-N 1 0 295.810 3.097 40 0 CGABRO C[NH+](C)C[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000000340668 368342802 /nfs/dbraw/zinc/34/28/02/368342802.db2.gz GJUPMIOTRBVKSA-MRXNPFEDSA-N 1 0 253.345 3.215 40 0 CGABRO CCC[N@H+](CC)CCNc1cc(OC)cc2cccnc21 ZINC000001656115 368427587 /nfs/dbraw/zinc/42/75/87/368427587.db2.gz RNJWWDVTYURVDA-UHFFFAOYSA-N 1 0 287.407 3.387 40 0 CGABRO CC[NH+](CC)CCNc1c(C)ccc2cccnc21 ZINC000001686964 368431749 /nfs/dbraw/zinc/43/17/49/368431749.db2.gz MYGPIACZULWABM-UHFFFAOYSA-N 1 0 257.381 3.297 40 0 CGABRO COc1cc2cccnc2c(NCCCC[NH2+]C(C)C)c1 ZINC000001710497 368434090 /nfs/dbraw/zinc/43/40/90/368434090.db2.gz WSWPSPYTTQVEKL-UHFFFAOYSA-N 1 0 287.407 3.434 40 0 CGABRO Cc1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000003865232 368522286 /nfs/dbraw/zinc/52/22/86/368522286.db2.gz QZSYUWQELBNZEE-ZOBUZTSGSA-N 1 0 291.435 3.021 40 0 CGABRO Cc1cccc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000004304982 368542349 /nfs/dbraw/zinc/54/23/49/368542349.db2.gz OUCWOOHGPMSVMN-ZQIUZPCESA-N 1 0 291.435 3.021 40 0 CGABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH2+]C1CCCC1 ZINC000004320491 368543408 /nfs/dbraw/zinc/54/34/08/368543408.db2.gz NNSJFMSDVCESAL-XOYOTBSWSA-N 1 0 297.483 3.357 40 0 CGABRO CC1CC[NH+](CCCNC(=O)c2cccc(Cl)c2)CC1 ZINC000010540222 368583925 /nfs/dbraw/zinc/58/39/25/368583925.db2.gz SWYDWEFXWFQFFN-UHFFFAOYSA-N 1 0 294.826 3.192 40 0 CGABRO CC(C)(C)c1ccc([C@]23CCC[N@@H+]2CCCN3)cc1 ZINC000019329213 368747952 /nfs/dbraw/zinc/74/79/52/368747952.db2.gz XJYZXMQUOREZTJ-KRWDZBQOSA-N 1 0 258.409 3.226 40 0 CGABRO Fc1ccc([C@@H]2COC[C@H]2[NH2+]Cc2ccsc2)cc1 ZINC000019336225 368749011 /nfs/dbraw/zinc/74/90/11/368749011.db2.gz MTZYPSUGJZFYHT-LSDHHAIUSA-N 1 0 277.364 3.159 40 0 CGABRO CCC(CC)N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019362879 368749732 /nfs/dbraw/zinc/74/97/32/368749732.db2.gz DDWDAWLJRHKZHU-OWCLPIDISA-N 1 0 262.441 3.005 40 0 CGABRO Fc1ccc([C@@H]2COC[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000019372692 368750688 /nfs/dbraw/zinc/75/06/88/368750688.db2.gz RIQKWIAZSFJVIE-DLBZAZTESA-N 1 0 271.335 3.098 40 0 CGABRO c1csc([C@@H](Cc2ccsc2)[NH2+]C[C@@H]2CCOC2)n1 ZINC000019406507 368751430 /nfs/dbraw/zinc/75/14/30/368751430.db2.gz DIWKJUZOBCAGTH-QWHCGFSZSA-N 1 0 294.445 3.115 40 0 CGABRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC[NH3+])c2ccccc21 ZINC000026896380 368865573 /nfs/dbraw/zinc/86/55/73/368865573.db2.gz SHVKRMBNOZXRGQ-RISCZKNCSA-N 1 0 276.380 3.089 40 0 CGABRO CC(C)Nc1nc(NC2CCCCC2)nc(NC(C)C)[nH+]1 ZINC000027526269 368872944 /nfs/dbraw/zinc/87/29/44/368872944.db2.gz VAMAEZAARGPIEM-UHFFFAOYSA-N 1 0 292.431 3.257 40 0 CGABRO CC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000035818584 369006033 /nfs/dbraw/zinc/00/60/33/369006033.db2.gz XNNHSXBJDMAZPZ-OAHLLOKOSA-N 1 0 288.435 3.447 40 0 CGABRO CC[NH+](CC)Cc1ccc(Br)cc1F ZINC000042211189 369204025 /nfs/dbraw/zinc/20/40/25/369204025.db2.gz QXSVUCOSZJDPQI-UHFFFAOYSA-N 1 0 260.150 3.430 40 0 CGABRO Cc1ccc(C(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000046882662 369298675 /nfs/dbraw/zinc/29/86/75/369298675.db2.gz RAZDSFRUKHELOH-GJZGRUSLSA-N 1 0 288.435 3.011 40 0 CGABRO Clc1cccc(Cl)c1COC[C@H]1CCC[NH2+]1 ZINC000051816426 369455027 /nfs/dbraw/zinc/45/50/27/369455027.db2.gz QMWLTJAGYVUHMR-SECBINFHSA-N 1 0 260.164 3.262 40 0 CGABRO CC(C)(C)c1ccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)cc1 ZINC000064875538 369662264 /nfs/dbraw/zinc/66/22/64/369662264.db2.gz RPOOPGCJKQHUCA-UHFFFAOYSA-N 1 0 284.407 3.236 40 0 CGABRO CC[C@](CO)(c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000065734693 369685457 /nfs/dbraw/zinc/68/54/57/369685457.db2.gz WVCKSRCCDDRZCQ-SFHVURJKSA-N 1 0 269.388 3.416 40 0 in-vitro CGABRO FC(F)(F)c1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1 ZINC000070458757 369800668 /nfs/dbraw/zinc/80/06/68/369800668.db2.gz TXIVBQMYGBJWEP-UHFFFAOYSA-N 1 0 297.280 3.222 40 0 CGABRO Cc1cc(C)c(NC(=O)CC2CC[NH+](C)CC2)c(C)c1 ZINC000074920998 369890738 /nfs/dbraw/zinc/89/07/38/369890738.db2.gz XHDMCXUUNDNKRY-UHFFFAOYSA-N 1 0 274.408 3.282 40 0 CGABRO CC(C)(C)OC(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC000079033351 369959864 /nfs/dbraw/zinc/95/98/64/369959864.db2.gz OFERYNIULZCFTG-UHFFFAOYSA-N 1 0 294.370 3.011 40 0 CGABRO C/C(=C\c1ccccc1)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000179907963 373938005 /nfs/dbraw/zinc/93/80/05/373938005.db2.gz MSRIZRFAWHWGMU-WKOYGUFESA-N 1 0 257.377 3.201 40 0 CGABRO Fc1cccc(-c2ccc3nc([C@H]4CCC[NH2+]C4)nn3c2)c1 ZINC000306130823 374127656 /nfs/dbraw/zinc/12/76/56/374127656.db2.gz JQDLRDNEFLROQK-ZDUSSCGKSA-N 1 0 296.349 3.002 40 0 CGABRO C[N@@H+]1CCC[C@@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306136605 374127716 /nfs/dbraw/zinc/12/77/16/374127716.db2.gz PXZUHTAOXJWPOH-CYBMUJFWSA-N 1 0 298.415 3.267 40 0 CGABRO CC(C)(C)OC(=O)NCC12CCC(C[NH3+])(CC1)CCC2 ZINC000306145961 374128307 /nfs/dbraw/zinc/12/83/07/374128307.db2.gz XICJTLGPDFENRD-UHFFFAOYSA-N 1 0 282.428 3.201 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccnc(-c2cc[nH]n2)c1 ZINC000257292665 190027444 /nfs/dbraw/zinc/02/74/44/190027444.db2.gz QMMSZELOZYATCY-OAHLLOKOSA-N 1 0 256.353 3.017 40 0 CGABRO c1cncc(C[N@H+]2CCC[C@H]2CCc2ccncc2)c1 ZINC000257310277 190031649 /nfs/dbraw/zinc/03/16/49/190031649.db2.gz UELUVDQGZSRIHV-KRWDZBQOSA-N 1 0 267.376 3.074 40 0 CGABRO Cc1cnc(C2(C)CC[NH+](Cc3c[nH]nc3C)CC2)s1 ZINC000257296189 190028214 /nfs/dbraw/zinc/02/82/14/190028214.db2.gz RBPVHZXQHCKNRO-UHFFFAOYSA-N 1 0 290.436 3.037 40 0 CGABRO c1cncc(C[C@H]2CC[C@@H]3C[N@H+](Cc4cccnc4)C[C@H]23)c1 ZINC000257297617 190029258 /nfs/dbraw/zinc/02/92/58/190029258.db2.gz RIDKCMZJBXUHCB-GUDVDZBRSA-N 1 0 293.414 3.177 40 0 CGABRO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccco3)C[C@@H]12 ZINC000248079704 377266116 /nfs/dbraw/zinc/26/61/16/377266116.db2.gz ACSZNQVPNYRNTG-MOPGFXCFSA-N 1 0 296.414 3.127 40 0 CGABRO Nc1cccc(OC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000575423510 377907881 /nfs/dbraw/zinc/90/78/81/377907881.db2.gz OJRFXDKTTSMNFC-KRWDZBQOSA-N 1 0 282.387 3.312 40 0 CGABRO O=C1c2sc3ccccc3c2C[N+]2=C1CCCC2 ZINC000101027304 285028034 /nfs/dbraw/zinc/02/80/34/285028034.db2.gz HGOIBAUDMAKKPE-UHFFFAOYSA-N 1 0 256.350 3.235 40 0 CGABRO CCSc1ncc(C[NH2+]C2CCCCC2)cn1 ZINC000062717279 392133152 /nfs/dbraw/zinc/13/31/52/392133152.db2.gz BZAZFWNWVUSBNL-UHFFFAOYSA-N 1 0 251.399 3.011 40 0 CGABRO Cc1cc([C@H](C)[NH3+])cnc1N1CCc2ccccc21 ZINC000072222906 392203050 /nfs/dbraw/zinc/20/30/50/392203050.db2.gz JWHGJNURRSBVIU-LBPRGKRZSA-N 1 0 253.349 3.104 40 0 CGABRO CSc1ccc(CN(C(=O)[C@@H]([NH3+])C(C)C)C(C)C)cc1 ZINC000079420644 392220508 /nfs/dbraw/zinc/22/05/08/392220508.db2.gz NILSZGYNYZEBRN-HNNXBMFYSA-N 1 0 294.464 3.129 40 0 CGABRO C(OC[C@@H]1COCCC12CC[NH+](C1CCC1)CC2)C1CC1 ZINC000096106505 392245567 /nfs/dbraw/zinc/24/55/67/392245567.db2.gz IPILXTHDGUTPBQ-INIZCTEOSA-N 1 0 293.451 3.084 40 0 CGABRO CCOC[C@@H]1COCCC12CC[NH+](C1CCCC1)CC2 ZINC000096106430 392245839 /nfs/dbraw/zinc/24/58/39/392245839.db2.gz JATYURHKFGLGQE-OAHLLOKOSA-N 1 0 281.440 3.084 40 0 CGABRO Cc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000012169908 292168371 /nfs/dbraw/zinc/16/83/71/292168371.db2.gz BDARSKFJUUGBFY-GRDNDAEWSA-N 1 0 291.435 3.021 40 0 CGABRO CCCC[NH+](CCCC)CCC[C@H](C(C)=O)C(=O)OCC ZINC000005551712 170112526 /nfs/dbraw/zinc/11/25/26/170112526.db2.gz SHSDJEPNRYJHJT-MRXNPFEDSA-N 1 0 299.455 3.437 40 0 CGABRO CCOP(=O)(OCC)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000005839108 170145546 /nfs/dbraw/zinc/14/55/46/170145546.db2.gz UWBAVKPWFCHBPQ-CQSZACIVSA-N 1 0 296.307 3.261 40 0 CGABRO CCOc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OC ZINC000008253684 170327556 /nfs/dbraw/zinc/32/75/56/170327556.db2.gz GYRMGVWBSOMKOU-GFCCVEGCSA-N 1 0 299.798 3.016 40 0 CGABRO [NH3+]Cc1nc(-c2ccc(Cl)cc2)n2ccccc12 ZINC000020222763 171084994 /nfs/dbraw/zinc/08/49/94/171084994.db2.gz DMIGUBQNJJCXJA-UHFFFAOYSA-N 1 0 257.724 3.113 40 0 CGABRO CCCOc1ccc(C[NH2+]CC(C)C)cc1OC ZINC000020931049 171280983 /nfs/dbraw/zinc/28/09/83/171280983.db2.gz IAOSEMATHKFOTF-UHFFFAOYSA-N 1 0 251.370 3.230 40 0 CGABRO CCCOc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1OCC ZINC000020933250 171281086 /nfs/dbraw/zinc/28/10/86/171281086.db2.gz KFNHNZIUSYNJGJ-HNNXBMFYSA-N 1 0 293.407 3.143 40 0 CGABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000021961630 171342545 /nfs/dbraw/zinc/34/25/45/171342545.db2.gz XEXDRQSFCRLEDE-UHFFFAOYSA-N 1 0 298.386 3.196 40 0 CGABRO O=C(Nc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000035289754 172106012 /nfs/dbraw/zinc/10/60/12/172106012.db2.gz RZAICIBDSGGEAA-ZXFUBFMLSA-N 1 0 299.418 3.356 40 0 CGABRO CC1CC[NH+](Cc2ccc(C(=O)NC(C)(C)C)cc2)CC1 ZINC000038755074 174154523 /nfs/dbraw/zinc/15/45/23/174154523.db2.gz VRXHTZYKLHAPFL-UHFFFAOYSA-N 1 0 288.435 3.447 40 0 CGABRO [NH3+]C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000038809043 174156286 /nfs/dbraw/zinc/15/62/86/174156286.db2.gz DDEHZTKEVRKRDX-ZDUSSCGKSA-N 1 0 273.207 3.479 40 0 CGABRO Clc1ccc(Cl)c(CNC[C@@H]2CCCC[NH2+]2)c1 ZINC000072203640 176341402 /nfs/dbraw/zinc/34/14/02/176341402.db2.gz MEFLJFKORUPFGJ-LBPRGKRZSA-N 1 0 273.207 3.225 40 0 CGABRO C[N@@H+]1CCC[C@H](c2cccc(-c3ccc(CO)cc3)n2)C1 ZINC000072343508 176371927 /nfs/dbraw/zinc/37/19/27/176371927.db2.gz NHILNWYNNDOWCY-INIZCTEOSA-N 1 0 282.387 3.050 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H](Cc2ccc(Cl)nc2)C1 ZINC000072343524 176372055 /nfs/dbraw/zinc/37/20/55/176372055.db2.gz DDAMZBGVYMWWMT-CYBMUJFWSA-N 1 0 252.789 3.398 40 0 CGABRO COc1cccc(-c2cc(C[C@H]3CCC[NH2+]CC3)ncn2)c1 ZINC000072365127 176380127 /nfs/dbraw/zinc/38/01/27/176380127.db2.gz KUQHLDRLUJPHPQ-AWEZNQCLSA-N 1 0 297.402 3.084 40 0 CGABRO C[N@@H+]1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375105 176385168 /nfs/dbraw/zinc/38/51/68/176385168.db2.gz RCXPCXOVZXIAJA-LLVKDONJSA-N 1 0 260.366 3.048 40 0 CGABRO Cc1cc(-c2ccc(F)cc2)nc(C2CC[NH2+]CC2)n1 ZINC000072384542 176388689 /nfs/dbraw/zinc/38/86/89/176388689.db2.gz YAKQZUGZFSZJMJ-UHFFFAOYSA-N 1 0 271.339 3.058 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H]1c1nccnc1Nc1ccccn1 ZINC000072384613 176388865 /nfs/dbraw/zinc/38/88/65/176388865.db2.gz XHJQLWMGOALJMW-CYBMUJFWSA-N 1 0 283.379 3.161 40 0 CGABRO Clc1cccc(Cl)c1CNC[C@@H]1CCCC[NH2+]1 ZINC000072203699 274883921 /nfs/dbraw/zinc/88/39/21/274883921.db2.gz ZLWWWEAWBFSUIE-JTQLQIEISA-N 1 0 273.207 3.225 40 0 CGABRO CC(C)N(CC[NH3+])Cc1c(Cl)cccc1Cl ZINC000042428492 275936356 /nfs/dbraw/zinc/93/63/56/275936356.db2.gz TZOHMNZANYPNOR-UHFFFAOYSA-N 1 0 261.196 3.163 40 0 CGABRO CC1CCN([C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000038860331 276199316 /nfs/dbraw/zinc/19/93/16/276199316.db2.gz UFKISHUZDCRZOZ-AWEZNQCLSA-N 1 0 297.240 3.181 40 0 CGABRO CN1C(=O)C2(CC[NH+](CC3CCC3)CC2)[C@H]1c1ccccc1 ZINC000096244738 277006278 /nfs/dbraw/zinc/00/62/78/277006278.db2.gz XSWYWOFKESCAFT-QGZVFWFLSA-N 1 0 298.430 3.082 40 0 CGABRO Cc1c(C[NH2+]Cc2ccc(F)cc2)cnn1C(C)C ZINC000256052398 280227109 /nfs/dbraw/zinc/22/71/09/280227109.db2.gz NDOKPFMBJFXBGY-UHFFFAOYSA-N 1 0 261.344 3.201 40 0 CGABRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1C)C(=O)OC(C)(C)C ZINC000047219136 298791068 /nfs/dbraw/zinc/79/10/68/298791068.db2.gz DNMOOCDFBZEBIM-UPJWGTAASA-N 1 0 255.402 3.133 40 0 CGABRO C[NH2+]C[C@H](OC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000062711748 522076014 /nfs/dbraw/zinc/07/60/14/522076014.db2.gz CBDLRXTVEDYUMN-LBPRGKRZSA-N 1 0 261.287 3.391 40 0 CGABRO CC(C)[C@H]([NH3+])c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000095534766 185008212 /nfs/dbraw/zinc/00/82/12/185008212.db2.gz KIQQCJTWTBCHEG-JTQLQIEISA-N 1 0 284.285 3.146 40 0 CGABRO Clc1cccc(-c2n[nH]c3c2[C@@H]2CC[C@H](C3)[NH2+]2)c1 ZINC000096510281 345903163 /nfs/dbraw/zinc/90/31/63/345903163.db2.gz SSTAZMJIKMBLJA-MNOVXSKESA-N 1 0 259.740 3.079 40 0 CGABRO CCOCC[C@H]1Cn2cccc2C[N@H+](CC2CCC2)C1 ZINC000585095092 346724677 /nfs/dbraw/zinc/72/46/77/346724677.db2.gz DZGSBRNKQBBMTK-MRXNPFEDSA-N 1 0 276.424 3.147 40 0 CGABRO c1ccc(C[C@@H]2[NH2+]CCC[C@@H]2Nc2ccccc2)cc1 ZINC000585260837 346726022 /nfs/dbraw/zinc/72/60/22/346726022.db2.gz UGBYDGZCYGZSSE-ROUUACIJSA-N 1 0 266.388 3.462 40 0 CGABRO COCCC[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000179670832 189212268 /nfs/dbraw/zinc/21/22/68/189212268.db2.gz PJRVOSKDWUVYFI-CYBMUJFWSA-N 1 0 251.370 3.161 40 0 CGABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c(F)c1 ZINC000120209812 370748657 /nfs/dbraw/zinc/74/86/57/370748657.db2.gz NQLRAUXKDLGZMM-LBPRGKRZSA-N 1 0 277.318 3.068 40 0 CGABRO COCC[NH2+][C@H](C)c1cccc(OC2CCCC2)c1 ZINC000225166289 189745192 /nfs/dbraw/zinc/74/51/92/189745192.db2.gz AFTNZORYFQGHHF-CYBMUJFWSA-N 1 0 263.381 3.305 40 0 CGABRO C[C@H]([C@@H](O)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001665295 368427368 /nfs/dbraw/zinc/42/73/68/368427368.db2.gz OUBANBNSLLAFIF-BXUZGUMPSA-N 1 0 253.773 3.248 40 0 CGABRO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000002736478 368474002 /nfs/dbraw/zinc/47/40/02/368474002.db2.gz ZCGDZNKSCOCGDN-OCCSQVGLSA-N 1 0 293.407 3.381 40 0 CGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1 ZINC000010543000 368583340 /nfs/dbraw/zinc/58/33/40/368583340.db2.gz OVMHHRYYDZAXDD-INIZCTEOSA-N 1 0 274.408 3.071 40 0 CGABRO OCCC[N@H+](Cc1ccncc1)Cc1ccc(Cl)cc1 ZINC000013568169 368657934 /nfs/dbraw/zinc/65/79/34/368657934.db2.gz XFBPZEDASHFNPT-UHFFFAOYSA-N 1 0 290.794 3.120 40 0 CGABRO Cc1n(C)c2cc(Cl)ccc2[n+]1Cc1ccccc1 ZINC000015962471 368705981 /nfs/dbraw/zinc/70/59/81/368705981.db2.gz DSECOSUJFQPALJ-UHFFFAOYSA-N 1 0 271.771 3.476 40 0 CGABRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000016758611 368721138 /nfs/dbraw/zinc/72/11/38/368721138.db2.gz VGIPEGOQFNUFNF-WBVHZDCISA-N 1 0 285.387 3.086 40 0 CGABRO Fc1ccc([C@@H]2COC[C@H]2[NH2+]Cc2ccccc2F)cc1 ZINC000019349570 368747690 /nfs/dbraw/zinc/74/76/90/368747690.db2.gz AFTQHOKWSUDSHV-DOTOQJQBSA-N 1 0 289.325 3.237 40 0 CGABRO Fc1ccc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000019334197 368748537 /nfs/dbraw/zinc/74/85/37/368748537.db2.gz RLCAIGMCELUNNC-LZLYRXPVSA-N 1 0 288.410 3.132 40 0 CGABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(Cl)c1 ZINC000019575138 368756400 /nfs/dbraw/zinc/75/64/00/368756400.db2.gz QNITWHLGUAZIOT-DOMZBBRYSA-N 1 0 264.800 3.009 40 0 CGABRO CCCCOc1ccc(C[NH2+]CCC)cc1OC ZINC000032107259 368924565 /nfs/dbraw/zinc/92/45/65/368924565.db2.gz GADZPZISPGCKBR-UHFFFAOYSA-N 1 0 251.370 3.374 40 0 CGABRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)[NH3+] ZINC000037817062 369118096 /nfs/dbraw/zinc/11/80/96/369118096.db2.gz ZMTFGLJPSQVNNG-VIFPVBQESA-N 1 0 289.206 3.078 40 0 CGABRO CCNc1ncc(C[NH2+]C2CCCCCCC2)cn1 ZINC000062717554 369629115 /nfs/dbraw/zinc/62/91/15/369629115.db2.gz TYXYFSQBJHTTNG-UHFFFAOYSA-N 1 0 262.401 3.111 40 0 CGABRO CC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000066346899 369692237 /nfs/dbraw/zinc/69/22/37/369692237.db2.gz ZKLFJQPUTPGIOF-NSHDSACASA-N 1 0 254.171 3.258 40 0 CGABRO [NH3+]Cc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21 ZINC000070450776 369799619 /nfs/dbraw/zinc/79/96/19/369799619.db2.gz ZNJSCAMATCRPHG-UHFFFAOYSA-N 1 0 291.276 3.479 40 0 CGABRO c1ccc2c3nc([C@@H]4CCC[NH2+]C4)oc3ccc2c1 ZINC000075869886 369919215 /nfs/dbraw/zinc/91/92/15/369919215.db2.gz MMTYZZFTDCGXSU-GFCCVEGCSA-N 1 0 252.317 3.448 40 0 CGABRO Cc1cccnc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000093169622 370112146 /nfs/dbraw/zinc/11/21/46/370112146.db2.gz ZHSSHWRHKGMMRX-ZDUSSCGKSA-N 1 0 273.405 3.226 40 0 CGABRO CC(C)[N@@H+]1C[C@H](C)[C@H](OC(=O)c2ccccc2)C[C@@H]1C ZINC000101224838 370288044 /nfs/dbraw/zinc/28/80/44/370288044.db2.gz OCFLFQDQCLZABG-OFQRWUPVSA-N 1 0 275.392 3.351 40 0 CGABRO Fc1cccc(-c2ccc3nc([C@@H]4CCC[NH2+]C4)nn3c2)c1 ZINC000306130822 374127933 /nfs/dbraw/zinc/12/79/33/374127933.db2.gz JQDLRDNEFLROQK-CYBMUJFWSA-N 1 0 296.349 3.002 40 0 CGABRO CC[C@@H](C)n1nccc1C[NH2+]Cc1ccc(F)cc1 ZINC000256051456 190003505 /nfs/dbraw/zinc/00/35/05/190003505.db2.gz JGBROBNZIHHKHG-GFCCVEGCSA-N 1 0 261.344 3.283 40 0 CGABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)s1 ZINC000257242796 190018324 /nfs/dbraw/zinc/01/83/24/190018324.db2.gz IEEKJXFVDBCRPK-CYBMUJFWSA-N 1 0 273.405 3.226 40 0 CGABRO Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccccn3)C2)cn1 ZINC000257281718 190025941 /nfs/dbraw/zinc/02/59/41/190025941.db2.gz OQQIRDJEAJRSAD-INIZCTEOSA-N 1 0 281.403 3.240 40 0 CGABRO Cc1nccc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000257301058 190030701 /nfs/dbraw/zinc/03/07/01/190030701.db2.gz RWVFEDMBHNXNTK-CQSZACIVSA-N 1 0 259.397 3.297 40 0 CGABRO CCC(=O)Nc1cc(N2CCC[C@@H](C)C2)c(C)cc1N ZINC000216864725 376168525 /nfs/dbraw/zinc/16/85/25/376168525.db2.gz SEEBRIYDRYXJAW-LLVKDONJSA-N 1 0 275.396 3.162 40 0 CGABRO CC(=O)Nc1cc(N2C[C@H](C)C[C@H](C)C2)c(C)cc1N ZINC000216864327 376168554 /nfs/dbraw/zinc/16/85/54/376168554.db2.gz GPBTZWNIPMXMGX-PHIMTYICSA-N 1 0 275.396 3.018 40 0 CGABRO Cc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1Cl ZINC000199783587 376124325 /nfs/dbraw/zinc/12/43/25/376124325.db2.gz DTCDYILJCOSUAU-UHFFFAOYSA-N 1 0 277.755 3.165 40 0 CGABRO COCCC[NH2+]Cc1cccn1-c1cc(C)ccc1C ZINC000223681749 376259443 /nfs/dbraw/zinc/25/94/43/376259443.db2.gz FQAADEJUISSDGC-UHFFFAOYSA-N 1 0 272.392 3.220 40 0 CGABRO CCC[NH2+]Cc1c(C)n(CC)c2ccc(OC)cc21 ZINC000223765707 376262441 /nfs/dbraw/zinc/26/24/41/376262441.db2.gz UYTXAMKCSXPFTO-UHFFFAOYSA-N 1 0 260.381 3.478 40 0 CGABRO FC(F)(F)c1cccc(N2CC[NH2+][C@@H]3CCCC[C@@H]32)c1 ZINC000225713038 376321469 /nfs/dbraw/zinc/32/14/69/376321469.db2.gz MOJDEZKTQJCUMI-KGLIPLIRSA-N 1 0 284.325 3.426 40 0 CGABRO CCCCOc1ccc([C@H](C)[NH2+]CCOC)cc1 ZINC000225169536 376297478 /nfs/dbraw/zinc/29/74/78/376297478.db2.gz OUBGPSGMTYCSQY-ZDUSSCGKSA-N 1 0 251.370 3.163 40 0 CGABRO Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000225359256 376304813 /nfs/dbraw/zinc/30/48/13/376304813.db2.gz QCGCOSNNITWNNR-UHFFFAOYSA-N 1 0 288.435 3.155 40 0 CGABRO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@@H]12 ZINC000248114294 377267301 /nfs/dbraw/zinc/26/73/01/377267301.db2.gz IHFWJQMJMIROBC-MOPGFXCFSA-N 1 0 296.414 3.127 40 0 CGABRO C[C@@H]1CCCN([C@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000252215881 377619392 /nfs/dbraw/zinc/61/93/92/377619392.db2.gz XRGUJSFMOCLWLG-BXUZGUMPSA-N 1 0 286.341 3.437 40 0 CGABRO c1cn2c(n1)CN(Cc1cncs1)[C@H](c1ccccc1)C2 ZINC000257339826 377795836 /nfs/dbraw/zinc/79/58/36/377795836.db2.gz ZDJLAYKSSHXTCU-HNNXBMFYSA-N 1 0 296.399 3.097 40 0 CGABRO Fc1cc(F)cc(CN2CCC[C@@H]2c2cnccn2)c1 ZINC000257285101 377796750 /nfs/dbraw/zinc/79/67/50/377796750.db2.gz PFQMGDWMBVADFA-OAHLLOKOSA-N 1 0 275.302 3.092 40 0 CGABRO CCCC[C@@H](CC)[C@@H]1OC[C@H](C[NH+]2CCCCC2)O1 ZINC000004094089 391918734 /nfs/dbraw/zinc/91/87/34/391918734.db2.gz ZPDBNCKBKRZZEB-OWCLPIDISA-N 1 0 269.429 3.430 40 0 CGABRO [NH3+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCCCC1 ZINC000022212842 391944109 /nfs/dbraw/zinc/94/41/09/391944109.db2.gz XHNASWXECKUESZ-CYBMUJFWSA-N 1 0 272.314 3.191 40 0 CGABRO CCSc1ncc(C[NH2+]CCc2ccc(F)cc2)cn1 ZINC000062717306 392133792 /nfs/dbraw/zinc/13/37/92/392133792.db2.gz POSSRUMEVCGGMF-UHFFFAOYSA-N 1 0 291.395 3.060 40 0 CGABRO Cc1cc([C@H]2CCCC[N@H+]2C)cnc1N1CCCC1 ZINC000072218815 392200321 /nfs/dbraw/zinc/20/03/21/392200321.db2.gz HTWDJDNYYMJXDO-OAHLLOKOSA-N 1 0 259.397 3.147 40 0 CGABRO Cc1ccc(-c2cc(C3(C[NH3+])CCC3)no2)c(C)c1 ZINC000072220670 392201304 /nfs/dbraw/zinc/20/13/04/392201304.db2.gz YWQIZQLJHKBILQ-UHFFFAOYSA-N 1 0 256.349 3.339 40 0 CGABRO COCC[NH2+]CCOc1ccc(C2CCCCC2)cc1 ZINC000085391768 397641343 /nfs/dbraw/zinc/64/13/43/397641343.db2.gz MJVUYQWCNZWDBM-UHFFFAOYSA-N 1 0 277.408 3.349 40 0 CGABRO COc1cc(NC(=O)Cc2ccccc2)c(OC)cc1[N+]#N ZINC000004742533 170009399 /nfs/dbraw/zinc/00/93/99/170009399.db2.gz RBTLRKPLHUTJNO-UHFFFAOYSA-O 1 0 298.322 3.370 40 0 CGABRO FC(F)(F)c1cnc(OC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000051883143 175526491 /nfs/dbraw/zinc/52/64/91/175526491.db2.gz IKTCYVQMIWUBSG-MRVPVSSYSA-N 1 0 294.704 3.132 40 0 CGABRO O=C(c1ccccc1)N1C[C@@H]2CCCC[N@H+](CC3CC3)[C@@H]2C1 ZINC000072330643 176370202 /nfs/dbraw/zinc/37/02/02/176370202.db2.gz BEPCXOHFOPNOHU-ZWKOTPCHSA-N 1 0 298.430 3.023 40 0 CGABRO Cc1cc(Nc2cccc(CC3CC[NH+](C)CC3)n2)no1 ZINC000072355019 176374968 /nfs/dbraw/zinc/37/49/68/176374968.db2.gz XBODMARQPWKRTK-UHFFFAOYSA-N 1 0 286.379 3.006 40 0 CGABRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)Nc3ccccc3)n2)C1 ZINC000072359254 176377089 /nfs/dbraw/zinc/37/70/89/176377089.db2.gz JGKOJKUOHIWISJ-CQSZACIVSA-N 1 0 295.386 3.143 40 0 CGABRO COc1cccc(-c2cc(C[C@@H]3CCC[NH2+]CC3)ncn2)c1 ZINC000072365126 176380143 /nfs/dbraw/zinc/38/01/43/176380143.db2.gz KUQHLDRLUJPHPQ-CQSZACIVSA-N 1 0 297.402 3.084 40 0 CGABRO c1cn(-c2cncc([C@@H]3CCC[N@@H+]3C3CCCCC3)n2)cn1 ZINC000072378712 176385464 /nfs/dbraw/zinc/38/54/64/176385464.db2.gz DLQYQLDRWJURFP-INIZCTEOSA-N 1 0 297.406 3.132 40 0 CGABRO Cc1cccc(C[C@H]2COCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072381035 176387761 /nfs/dbraw/zinc/38/77/61/176387761.db2.gz PNKDCXKUGQPZRP-MRXNPFEDSA-N 1 0 288.435 3.214 40 0 CGABRO C[C@H]1C[NH+](Cc2c3cccnc3[nH]c2C2CC2)C[C@H](C)O1 ZINC000072398466 176396375 /nfs/dbraw/zinc/39/63/75/176396375.db2.gz ZHRCOQSHJCKLMB-RYUDHWBXSA-N 1 0 285.391 3.050 40 0 CGABRO CCC[C@@H]1[NH2+]C(C)(C)Cc2cc(OC)c(OC)cc21 ZINC000005672030 276033898 /nfs/dbraw/zinc/03/38/98/276033898.db2.gz OFBIXPAGUPLXSA-ZDUSSCGKSA-N 1 0 263.381 3.469 40 0 CGABRO CC1CCN([C@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000038860334 278550697 /nfs/dbraw/zinc/55/06/97/278550697.db2.gz UFKISHUZDCRZOZ-CQSZACIVSA-N 1 0 297.240 3.181 40 0 CGABRO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H](C)c1ccc(F)cc1 ZINC000079418793 280271068 /nfs/dbraw/zinc/27/10/68/280271068.db2.gz VRXDSLZUPNNUIR-DOMZBBRYSA-N 1 0 280.387 3.107 40 0 CGABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH+]1CCCCC1)C2 ZINC000004024586 281541878 /nfs/dbraw/zinc/54/18/78/281541878.db2.gz KEELYYKHJSSOCT-BVIKNXMNSA-N 1 0 295.467 3.065 40 0 CGABRO Cc1cc(N2Cc3ccccc3C[C@@H]2C)nc(NC2CC2)[nH+]1 ZINC000328990932 136377209 /nfs/dbraw/zinc/37/72/09/136377209.db2.gz IQHXAXDBXHUMHN-ZDUSSCGKSA-N 1 0 294.402 3.311 40 0 CGABRO C[NH2+][C@@H]1CCCC[C@H]1N(Cc1ccccc1)C(C)C ZINC000100449927 530042604 /nfs/dbraw/zinc/04/26/04/530042604.db2.gz JDKQBFSTIDIKID-IAGOWNOFSA-N 1 0 260.425 3.428 40 0 CGABRO Clc1ccc(-c2nccc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000205673703 346283128 /nfs/dbraw/zinc/28/31/28/346283128.db2.gz FFBNQKHQZWBICX-GFCCVEGCSA-N 1 0 259.740 3.222 40 0 CGABRO C([C@@H]1C[C@@H]1C1CCCCC1)[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714822 346304914 /nfs/dbraw/zinc/30/49/14/346304914.db2.gz MSFDEISPJHZVBL-MLHJIOFPSA-N 1 0 276.468 3.419 40 0 CGABRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000085391304 179048342 /nfs/dbraw/zinc/04/83/42/179048342.db2.gz PEQRQJNKQFTFMG-GXSJLCMTSA-N 1 0 254.171 3.195 40 0 CGABRO [NH3+]CC[C@H](Cc1nc2ccccc2s1)C(F)(F)F ZINC000256050531 346398796 /nfs/dbraw/zinc/39/87/96/346398796.db2.gz FJSDOCPVMLYIAU-MRVPVSSYSA-N 1 0 274.311 3.366 40 0 CGABRO C[N@@H+]1CC[C@]12CCCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000585102297 346724665 /nfs/dbraw/zinc/72/46/65/346724665.db2.gz WOFPUJNGCOCGQE-IBGZPJMESA-N 1 0 294.398 3.150 40 0 CGABRO COc1ccc([C@H](OCC[NH+](C)C)c2ccccc2)cc1 ZINC000000000444 368269496 /nfs/dbraw/zinc/26/94/96/368269496.db2.gz BXCMCXBSUDRYPF-GOSISDBHSA-N 1 0 285.387 3.363 40 0 in-man CGABRO O[C@H](c1c(Cl)cccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000001706321 368432740 /nfs/dbraw/zinc/43/27/40/368432740.db2.gz VNWCXEQFYINONO-JQWIXIFHSA-N 1 0 260.164 3.169 40 0 CGABRO O[C@@H](c1c(Cl)cccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000001706320 368433079 /nfs/dbraw/zinc/43/30/79/368433079.db2.gz VNWCXEQFYINONO-CMPLNLGQSA-N 1 0 260.164 3.169 40 0 CGABRO Cc1c2ccccc2oc1C(=O)O[C@@H](C)[C@@H](C)C[NH+](C)C ZINC000003066410 368489371 /nfs/dbraw/zinc/48/93/71/368489371.db2.gz RJPLRBLTTQHUCK-AAEUAGOBSA-N 1 0 289.375 3.484 40 0 CGABRO CC(C)=CC[N@@H+]1CCC[C@H](n2c(=O)oc3ccccc32)C1 ZINC000012219410 368606756 /nfs/dbraw/zinc/60/67/56/368606756.db2.gz SKDLJRYCCFRNBX-AWEZNQCLSA-N 1 0 286.375 3.198 40 0 CGABRO COC(=O)/C(=C/c1ccccc1)C[N@@H+]1CCCC[C@@H]1C ZINC000017045447 368727493 /nfs/dbraw/zinc/72/74/93/368727493.db2.gz CYTSEDNEUSSRPV-AOHITCTBSA-N 1 0 273.376 3.117 40 0 CGABRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000016758614 368720719 /nfs/dbraw/zinc/72/07/19/368720719.db2.gz VGIPEGOQFNUFNF-RDJZCZTQSA-N 1 0 285.387 3.086 40 0 CGABRO CC(C)(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000052527980 369469261 /nfs/dbraw/zinc/46/92/61/369469261.db2.gz PMGAQWYABKMDDH-UHFFFAOYSA-N 1 0 288.435 3.335 40 0 CGABRO Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1C ZINC000061553654 369601622 /nfs/dbraw/zinc/60/16/22/369601622.db2.gz BJYPJZJHFAYFOJ-UHFFFAOYSA-N 1 0 288.435 3.155 40 0 CGABRO CC[C@@H](C)Oc1ccccc1C[NH2+]C[C@@H]1CCCO1 ZINC000066115692 369688646 /nfs/dbraw/zinc/68/86/46/369688646.db2.gz BUTNOOXYCKSCCH-HIFRSBDPSA-N 1 0 263.381 3.133 40 0 CGABRO CCC(CC)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000067800794 369730519 /nfs/dbraw/zinc/73/05/19/369730519.db2.gz ICEIVEQULCMDNL-UHFFFAOYSA-N 1 0 270.417 3.164 40 0 CGABRO OC[C@H](c1ccccc1C(F)(F)F)[NH+]1CCCCC1 ZINC000070453365 369799590 /nfs/dbraw/zinc/79/95/90/369799590.db2.gz BMYZSBLARQQXQX-CYBMUJFWSA-N 1 0 273.298 3.225 40 0 CGABRO CSc1ccc(C2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000079030459 369960172 /nfs/dbraw/zinc/96/01/72/369960172.db2.gz FFLQFFYCMXTQFI-UHFFFAOYSA-N 1 0 265.422 3.100 40 0 CGABRO COC[C@H]1COCCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096209041 370209067 /nfs/dbraw/zinc/20/90/67/370209067.db2.gz LZPGLHPLSHHVDT-HNNXBMFYSA-N 1 0 295.448 3.013 40 0 CGABRO CC(C)[N@@H+]1C[C@H](C)[C@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000169684028 372630763 /nfs/dbraw/zinc/63/07/63/372630763.db2.gz OCFLFQDQCLZABG-SQWLQELKSA-N 1 0 275.392 3.351 40 0 CGABRO CCN(C)c1ncccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072212780 284372053 /nfs/dbraw/zinc/37/20/53/284372053.db2.gz PCEXXCNJOQGHMG-OAHLLOKOSA-N 1 0 261.413 3.331 40 0 CGABRO CC(C)(C)Nc1nc(NCc2ccco2)cc(C2CC2)[nH+]1 ZINC000329065037 374400262 /nfs/dbraw/zinc/40/02/62/374400262.db2.gz XNQWHMMBAXVUFA-UHFFFAOYSA-N 1 0 286.379 3.191 40 0 CGABRO CCCn1cc(C[NH2+]Cc2ccnn2[C@H](C)CC)c(C)n1 ZINC000256051818 190003765 /nfs/dbraw/zinc/00/37/65/190003765.db2.gz KOYIJIKNAZHVBR-CYBMUJFWSA-N 1 0 289.427 3.059 40 0 CGABRO Cc1cncc(C2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000257200004 190011045 /nfs/dbraw/zinc/01/10/45/190011045.db2.gz ABPKRBHMTBSKFH-UHFFFAOYSA-N 1 0 285.366 3.304 40 0 CGABRO CC(C)n1nccc1-c1cc(CC2CC[NH2+]CC2)ccn1 ZINC000257200369 190011120 /nfs/dbraw/zinc/01/11/20/190011120.db2.gz ACZJNSYZLUXYCF-UHFFFAOYSA-N 1 0 284.407 3.068 40 0 CGABRO CC(C)[N@@H+]1CCC[C@@H](Cc2ccc(-c3ccnn3C)nc2)C1 ZINC000257221225 190014920 /nfs/dbraw/zinc/01/49/20/190014920.db2.gz DOAYQEIOAZLFSN-INIZCTEOSA-N 1 0 298.434 3.145 40 0 CGABRO CCCn1nccc1-c1cc(C[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000257295921 190028623 /nfs/dbraw/zinc/02/86/23/190028623.db2.gz RALMITQBSREZPE-INIZCTEOSA-N 1 0 298.434 3.239 40 0 CGABRO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnc(N)n2)cc1 ZINC000257331643 190035879 /nfs/dbraw/zinc/03/58/79/190035879.db2.gz XTRJAVCQJKKVAL-INIZCTEOSA-N 1 0 282.391 3.094 40 0 CGABRO COCC[NH2+][C@@H](C)c1ccccc1OC1CCCC1 ZINC000225160805 376296714 /nfs/dbraw/zinc/29/67/14/376296714.db2.gz YKBOLQZIIJKALA-ZDUSSCGKSA-N 1 0 263.381 3.305 40 0 CGABRO Cc1cc(-c2cccc([C@H]3CCC[N@H+]3C(C)C)n2)n[nH]1 ZINC000257280279 377796704 /nfs/dbraw/zinc/79/67/04/377796704.db2.gz OKHKXXOWLSUUOG-MRXNPFEDSA-N 1 0 270.380 3.325 40 0 CGABRO CC[NH+](CC)[C@H]1CCN(c2ncc(C(F)(F)F)s2)C1 ZINC000276782702 378996130 /nfs/dbraw/zinc/99/61/30/378996130.db2.gz OKAQRJFMPNZRBQ-VIFPVBQESA-N 1 0 293.358 3.082 40 0 CGABRO CC[NH+]1CCN(c2cc(C)c(SC(C)(C)C)cn2)CC1 ZINC000072223641 256704931 /nfs/dbraw/zinc/70/49/31/256704931.db2.gz LDHMWFSCQWHXJK-UHFFFAOYSA-N 1 0 293.480 3.423 40 0 CGABRO CN(C)CC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000019366669 391936133 /nfs/dbraw/zinc/93/61/33/391936133.db2.gz CZULGHYJEDZFMY-UHFFFAOYSA-N 1 0 280.415 3.026 40 0 CGABRO CCSc1ncc(C[NH2+]CCc2ccccc2F)cn1 ZINC000062717305 392133493 /nfs/dbraw/zinc/13/34/93/392133493.db2.gz ANPRQLMBJRPMIE-UHFFFAOYSA-N 1 0 291.395 3.060 40 0 CGABRO C[N@@H+]1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214363 392198634 /nfs/dbraw/zinc/19/86/34/392198634.db2.gz RHKKJLHWVJMMLN-LBPRGKRZSA-N 1 0 277.368 3.195 40 0 CGABRO Cc1[nH]c(=O)ccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218189 392200566 /nfs/dbraw/zinc/20/05/66/392200566.db2.gz IEAXVUIACKEVQA-INIZCTEOSA-N 1 0 268.360 3.433 40 0 CGABRO CC(C)(C)Nc1ccc([C@@H]([NH3+])c2ccccc2)cn1 ZINC000072225840 392204427 /nfs/dbraw/zinc/20/44/27/392204427.db2.gz LPQROALEPDPHEO-HNNXBMFYSA-N 1 0 255.365 3.340 40 0 CGABRO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000082323662 392223224 /nfs/dbraw/zinc/22/32/24/392223224.db2.gz QDLWDPSXJHJYSR-CQSZACIVSA-N 1 0 260.381 3.090 40 0 CGABRO C([C@H]1C[C@H]1C1CCCCC1)[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714907 393012321 /nfs/dbraw/zinc/01/23/21/393012321.db2.gz MSFDEISPJHZVBL-XDNAFOTISA-N 1 0 276.468 3.419 40 0 CGABRO C[C@H]([N@H+](C)Cc1ccccc1)[C@](C)(O)c1ccccc1 ZINC000004705920 170002484 /nfs/dbraw/zinc/00/24/84/170002484.db2.gz WZULUTBDZYYRJF-YJBOKZPZSA-N 1 0 269.388 3.415 40 0 CGABRO COC(=O)/C(=C\c1ccccc1)C[N@@H+]1CCCC[C@H]1C ZINC000005340843 170087797 /nfs/dbraw/zinc/08/77/97/170087797.db2.gz CYTSEDNEUSSRPV-IZCBMXNHSA-N 1 0 273.376 3.117 40 0 CGABRO CCc1ccc(NC(=S)NCCC[NH+]2CCCC2)cc1 ZINC000007026927 170262743 /nfs/dbraw/zinc/26/27/43/170262743.db2.gz KQGSMJSQFPFOEQ-UHFFFAOYSA-N 1 0 291.464 3.021 40 0 CGABRO Cc1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1 ZINC000007369651 170280054 /nfs/dbraw/zinc/28/00/54/170280054.db2.gz ROJDCRRSUWDBJL-UHFFFAOYSA-N 1 0 291.464 3.157 40 0 CGABRO C[NH2+]CCCNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000008377158 170333623 /nfs/dbraw/zinc/33/36/23/170333623.db2.gz OTIGYDHSSVXRSL-UHFFFAOYSA-N 1 0 278.783 3.299 40 0 CGABRO C[C@H]1CCCC[N@@H+]1CCCOc1ccccc1C=O ZINC000008731552 170351206 /nfs/dbraw/zinc/35/12/06/170351206.db2.gz ZBTBOTFVUDMAOT-AWEZNQCLSA-N 1 0 261.365 3.142 40 0 CGABRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC000022009097 171348713 /nfs/dbraw/zinc/34/87/13/171348713.db2.gz AELJBFRPEBTCSA-HKUYNNGSSA-N 1 0 299.389 3.424 40 0 in-vitro CGABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000037530323 173253088 /nfs/dbraw/zinc/25/30/88/173253088.db2.gz LIIZJBOIYSYKOB-YDHLFZDLSA-N 1 0 297.826 3.058 40 0 CGABRO CC(C)CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038832418 174157530 /nfs/dbraw/zinc/15/75/30/174157530.db2.gz VFCCASFNNBKEEK-HNNXBMFYSA-N 1 0 288.435 3.304 40 0 CGABRO CCCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038858838 174158066 /nfs/dbraw/zinc/15/80/66/174158066.db2.gz XVPJZHMVULWMIX-KRWDZBQOSA-N 1 0 288.435 3.205 40 0 CGABRO CC(C)[C@@H]1CC[C@](C)(O)[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000072266169 176352196 /nfs/dbraw/zinc/35/21/96/176352196.db2.gz HNUCWFATZMCDDC-IKGGRYGDSA-N 1 0 261.409 3.352 40 0 CGABRO Fc1cc(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)ccc1Cl ZINC000072386222 176391446 /nfs/dbraw/zinc/39/14/46/176391446.db2.gz GAUMFFRGEWBDAV-NSHDSACASA-N 1 0 279.746 3.192 40 0 CGABRO c1cnc(NC2CCCC2)c(CC[C@@H]2CCC[NH2+]2)c1 ZINC000072386465 176391682 /nfs/dbraw/zinc/39/16/82/176391682.db2.gz UUUXEGDJESAYKZ-AWEZNQCLSA-N 1 0 259.397 3.121 40 0 CGABRO Fc1ccc(-c2cccc(C3CC[NH2+]CC3)n2)cc1F ZINC000072386772 176391997 /nfs/dbraw/zinc/39/19/97/176391997.db2.gz YTSAYIRKCGYOPE-UHFFFAOYSA-N 1 0 274.314 3.494 40 0 CGABRO Cc1cnc2[nH]c(C3CC3)c(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000072395252 176394435 /nfs/dbraw/zinc/39/44/35/176394435.db2.gz YELIVSFTZAXCKE-BETUJISGSA-N 1 0 299.418 3.358 40 0 CGABRO FC(F)(F)CCOc1ccccc1C[NH2+]C1CC1 ZINC000080936590 260182173 /nfs/dbraw/zinc/18/21/73/260182173.db2.gz VNEQXDNXRWLOSH-UHFFFAOYSA-N 1 0 259.271 3.270 40 0 CGABRO FC(F)(F)CCOc1ccc(C[NH2+]C2CC2)cc1 ZINC000080936586 260182209 /nfs/dbraw/zinc/18/22/09/260182209.db2.gz CSBNVNXUVIUCMR-UHFFFAOYSA-N 1 0 259.271 3.270 40 0 CGABRO COc1ccc(Cl)cc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000218863602 274111926 /nfs/dbraw/zinc/11/19/26/274111926.db2.gz WVRSTKHYYCENAQ-WDEREUQCSA-N 1 0 254.761 3.030 40 0 CGABRO CC[N@H+](CCOC)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000005700951 276133483 /nfs/dbraw/zinc/13/34/83/276133483.db2.gz IVITUNMAUPXSGV-RBUKOAKNSA-N 1 0 299.414 3.430 40 0 CGABRO Cc1cc(C2=[NH+]CCCC2)cnc1N1CCCCC1 ZINC000072219171 278684166 /nfs/dbraw/zinc/68/41/66/278684166.db2.gz HIXPKAWOXCXVEU-UHFFFAOYSA-N 1 0 257.381 3.353 40 0 CGABRO CC1=C[C@@H](C)[C@H]2CO[C@@H](c3ccc[n+](C)c3)[C@@H]1[C@H]2C ZINC000004027164 281690399 /nfs/dbraw/zinc/69/03/99/281690399.db2.gz JHAJBRWIERGXKC-LHJKUJPLSA-N 1 0 258.385 3.047 40 0 CGABRO C[C@@](CO)(c1ccccc1Cl)[NH+]1CCCCC1 ZINC000070453428 297838345 /nfs/dbraw/zinc/83/83/45/297838345.db2.gz QYPPYSKWZCMIKW-CQSZACIVSA-N 1 0 253.773 3.033 40 0 CGABRO CCCNc1ncc(C[NH2+][C@@H](C)CCc2ccccc2)cn1 ZINC000062717723 333176096 /nfs/dbraw/zinc/17/60/96/333176096.db2.gz XEAQWRSSQIIRJN-HNNXBMFYSA-N 1 0 298.434 3.409 40 0 CGABRO Cc1ccc([C@@H](C)CCN2C[C@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000247944777 334291947 /nfs/dbraw/zinc/29/19/47/334291947.db2.gz WBHMAMYMGDAOEJ-SQWLQELKSA-N 1 0 276.424 3.250 40 0 CGABRO C[NH+](C)C[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000114571742 500766805 /nfs/dbraw/zinc/76/68/05/500766805.db2.gz WYPJAPCMQZBXCK-ZYHUDNBSSA-N 1 0 254.171 3.114 40 0 CGABRO CC(C)Oc1ccc(CN2CC[C@H]3[NH2+]CCCC[C@H]32)cc1 ZINC000019711743 344890968 /nfs/dbraw/zinc/89/09/68/344890968.db2.gz ODFSOVRGCUMXGL-QZTJIDSGSA-N 1 0 288.435 3.190 40 0 CGABRO CC(C)[C@H]1C[C@@H]([NH3+])c2cc(Br)ccc2O1 ZINC000130880062 346061687 /nfs/dbraw/zinc/06/16/87/346061687.db2.gz FLTFNJGIJIYDQX-ZYHUDNBSSA-N 1 0 270.170 3.256 40 0 CGABRO CCOCC[C@H]1CCOC12CC[NH+](Cc1ccco1)CC2 ZINC000585103972 346724391 /nfs/dbraw/zinc/72/43/91/346724391.db2.gz FFTXJQNJKRQZTM-HNNXBMFYSA-N 1 0 293.407 3.077 40 0 CGABRO C[N@@H+]1CCCCC12CCN(C(=O)[C@]1(C)CC=CCC1)CC2 ZINC000585102446 346724659 /nfs/dbraw/zinc/72/46/59/346724659.db2.gz LWKWOZDRDZPGEO-QGZVFWFLSA-N 1 0 290.451 3.210 40 0 CGABRO c1cc([C@@H]2CCC[N@@H+](Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000124005387 187118468 /nfs/dbraw/zinc/11/84/68/187118468.db2.gz PWJBYTIHVANWKO-OAHLLOKOSA-N 1 0 292.386 3.338 40 0 CGABRO c1cc([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000121216592 370841410 /nfs/dbraw/zinc/84/14/10/370841410.db2.gz UNBJNQKWPVODGO-MRXNPFEDSA-N 1 0 292.386 3.338 40 0 CGABRO O=C(CC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)c1ccccc1 ZINC000001677250 368430327 /nfs/dbraw/zinc/43/03/27/368430327.db2.gz QILOOQAJTKONQY-IYBDPMFKSA-N 1 0 255.361 3.157 40 0 CGABRO Cc1cc(C)c(C)c(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000004305184 368541570 /nfs/dbraw/zinc/54/15/70/368541570.db2.gz MHQHXWOLORAPPZ-QGZVFWFLSA-N 1 0 291.435 3.228 40 0 CGABRO COc1ccc2c(c1)C=C(/C=C/C1=CC[N@H+](C)CC1)CO2 ZINC000012143038 368605037 /nfs/dbraw/zinc/60/50/37/368605037.db2.gz QCAAAVPTLBSDPW-ONEGZZNKSA-N 1 0 283.371 3.289 40 0 CGABRO c1coc(-c2[nH]c3ncccc3c2C[N@@H+]2CCCOCC2)c1 ZINC000019345219 368747813 /nfs/dbraw/zinc/74/78/13/368747813.db2.gz RCWUJUQIQOQZTF-UHFFFAOYSA-N 1 0 297.358 3.045 40 0 CGABRO Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1C ZINC000026780460 368864001 /nfs/dbraw/zinc/86/40/01/368864001.db2.gz BISBEBJIEHXHHW-QGZVFWFLSA-N 1 0 291.435 3.308 40 0 CGABRO Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000067801145 369730622 /nfs/dbraw/zinc/73/06/22/369730622.db2.gz VBNHPAWKAZXPSA-HNNXBMFYSA-N 1 0 290.407 3.094 40 0 CGABRO CC(C)N(c1ncccc1[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000072213001 369814994 /nfs/dbraw/zinc/81/49/94/369814994.db2.gz MSGPOCXYMABHCC-HNNXBMFYSA-N 1 0 261.413 3.472 40 0 CGABRO COc1ccc(Cl)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000074921012 369891858 /nfs/dbraw/zinc/89/18/58/369891858.db2.gz KFWISUCCZSFDRP-UHFFFAOYSA-N 1 0 296.798 3.019 40 0 CGABRO C[NH2+][C@@H]1CCCC[C@@H]1N(Cc1ccccc1)C1CC1 ZINC000079438023 369968776 /nfs/dbraw/zinc/96/87/76/369968776.db2.gz GBXVGBWCLZSMGO-SJORKVTESA-N 1 0 258.409 3.182 40 0 CGABRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CCCC2)C1 ZINC000089212658 370039850 /nfs/dbraw/zinc/03/98/50/370039850.db2.gz MEHWOIZDTOXDSR-ZDUSSCGKSA-N 1 0 282.428 3.166 40 0 CGABRO CC[NH2+]Cc1cc2cc(Br)cc(C)c2[nH]1 ZINC000095095262 370174667 /nfs/dbraw/zinc/17/46/67/370174667.db2.gz BABOYAZHZWCPFF-UHFFFAOYSA-N 1 0 267.170 3.348 40 0 CGABRO [NH3+][C@H]1C=C(C(F)(F)F)NC=C1c1ccc(Cl)cc1 ZINC000101027455 370286108 /nfs/dbraw/zinc/28/61/08/370286108.db2.gz PZBXEAVBSGAFGA-JTQLQIEISA-N 1 0 274.673 3.058 40 0 CGABRO CC(C)C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000174551433 373336146 /nfs/dbraw/zinc/33/61/46/373336146.db2.gz ATNWFYXUIXNNKD-QGZVFWFLSA-N 1 0 288.435 3.232 40 0 CGABRO Cc1cc(F)c(C[NH2+][C@H]2CCn3ccnc3C2)c(Cl)c1 ZINC000334566877 374866915 /nfs/dbraw/zinc/86/69/15/374866915.db2.gz QYNRAAYMAMISIJ-NSHDSACASA-N 1 0 293.773 3.089 40 0 CGABRO CNc1ncccc1C[N@@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257233967 190016637 /nfs/dbraw/zinc/01/66/37/190016637.db2.gz GRNMOMBULFGJCG-QGZVFWFLSA-N 1 0 296.418 3.116 40 0 CGABRO c1ccc(Nc2cc(CCC3CC[NH2+]CC3)ccn2)nc1 ZINC000257241838 190018676 /nfs/dbraw/zinc/01/86/76/190018676.db2.gz HZVOUQWMCVBTER-UHFFFAOYSA-N 1 0 282.391 3.152 40 0 CGABRO Cc1nc(Nc2cccc(C3CC[NH2+]CC3)n2)sc1C ZINC000257254985 190021237 /nfs/dbraw/zinc/02/12/37/190021237.db2.gz KFQNDKDLJZGJEV-UHFFFAOYSA-N 1 0 288.420 3.366 40 0 CGABRO COc1cc(C=O)ccc1OCCCC[NH+]1CCCCC1 ZINC000206983041 376129332 /nfs/dbraw/zinc/12/93/32/376129332.db2.gz OSXTTWGCSNYNQN-UHFFFAOYSA-N 1 0 291.391 3.153 40 0 CGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1cccs1 ZINC000223362527 376252515 /nfs/dbraw/zinc/25/25/15/376252515.db2.gz IMHZUMSVURJQHC-CQSZACIVSA-N 1 0 294.464 3.061 40 0 CGABRO CC[C@H](C)Oc1ccccc1[C@@H](C)[NH2+]CCOC ZINC000225161033 376297420 /nfs/dbraw/zinc/29/74/20/376297420.db2.gz CTFSDGXSKPYMPS-QWHCGFSZSA-N 1 0 251.370 3.161 40 0 CGABRO CC1(C)CCCC(C)(C)[NH+]1C[C@H](O)COc1ccccc1 ZINC000000351984 169614849 /nfs/dbraw/zinc/61/48/49/169614849.db2.gz QWMYUXJKQXYVCW-HNNXBMFYSA-N 1 0 291.435 3.469 40 0 CGABRO CC[N@@H+]1CC(C)(C)N(C(=O)c2ccccc2)CC1(C)C ZINC000001700429 285183277 /nfs/dbraw/zinc/18/32/77/285183277.db2.gz CXXSGCYZGDXXJS-UHFFFAOYSA-N 1 0 274.408 3.022 40 0 CGABRO CC[C@H]([NH3+])c1cnc(OCc2ccccc2)cc1C ZINC000072223430 256706095 /nfs/dbraw/zinc/70/60/95/256706095.db2.gz UADARPSWSSKBMU-HNNXBMFYSA-N 1 0 256.349 3.379 40 0 CGABRO Cc1cc(N2CC[NH2+]CC2)c2c(Cl)cc(Cl)cc2n1 ZINC000068136522 392163187 /nfs/dbraw/zinc/16/31/87/392163187.db2.gz MEICSZKTAZDSKN-UHFFFAOYSA-N 1 0 296.201 3.260 40 0 CGABRO c1ccc(-c2nn(-c3ccccc3)n[n+]2-c2ccccc2)cc1 ZINC000006885735 285468556 /nfs/dbraw/zinc/46/85/56/285468556.db2.gz AVPDSNGVGADFAP-UHFFFAOYSA-N 1 0 299.357 3.211 40 0 CGABRO CCSc1ncc(C[NH2+]Cc2ccc(F)cc2)cn1 ZINC000062717307 392133167 /nfs/dbraw/zinc/13/31/67/392133167.db2.gz PSIZYIZJCBPJKE-UHFFFAOYSA-N 1 0 277.368 3.018 40 0 CGABRO c1ccc(COc2ccc([C@H]3CCCC[NH2+]3)cn2)cc1 ZINC000072212032 392197550 /nfs/dbraw/zinc/19/75/50/392197550.db2.gz CMAAQRRMZLBURO-MRXNPFEDSA-N 1 0 268.360 3.475 40 0 CGABRO c1ccc(COc2ncccc2[C@@H]2CCC[NH2+]2)cc1 ZINC000072212061 392197796 /nfs/dbraw/zinc/19/77/96/392197796.db2.gz OGOHWYJQSIMHPY-HNNXBMFYSA-N 1 0 254.333 3.085 40 0 CGABRO CN(c1ccccc1)c1ccc(C2=[NH+]CCC2)cn1 ZINC000072214179 392199018 /nfs/dbraw/zinc/19/90/18/392199018.db2.gz VEQMQTDZWJVCCO-UHFFFAOYSA-N 1 0 251.333 3.432 40 0 CGABRO C[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216056 392200557 /nfs/dbraw/zinc/20/05/57/392200557.db2.gz LJQXCTXRIIGVGZ-OAHLLOKOSA-N 1 0 259.397 3.229 40 0 CGABRO Cc1ccc(-c2cc(C3(C[NH3+])CCCC3)no2)cc1 ZINC000072220688 392201866 /nfs/dbraw/zinc/20/18/66/392201866.db2.gz QHJVDMARTJKTNU-UHFFFAOYSA-N 1 0 256.349 3.421 40 0 CGABRO CCCNc1ccc([C@@H]([NH3+])c2ccccc2)c(C)n1 ZINC000072224261 392202778 /nfs/dbraw/zinc/20/27/78/392202778.db2.gz PTAQDIZNLUYFEE-INIZCTEOSA-N 1 0 255.365 3.260 40 0 CGABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Cl)cc1 ZINC000072324440 392206047 /nfs/dbraw/zinc/20/60/47/392206047.db2.gz ZIOAUZBPCQZRLP-WFASDCNBSA-N 1 0 264.800 3.009 40 0 CGABRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]([NH3+])C(C)(C)C)C1 ZINC000072208762 397640212 /nfs/dbraw/zinc/64/02/12/397640212.db2.gz JWFFWWIRWVCUFP-NEPJUHHUSA-N 1 0 270.417 3.007 40 0 CGABRO CC[NH+](CC)CC[C@H](O)c1cnc(-c2ccccc2)nc1C ZINC000002042604 169771228 /nfs/dbraw/zinc/77/12/28/169771228.db2.gz VWUJAYNGIKLTBV-KRWDZBQOSA-N 1 0 299.418 3.217 40 0 CGABRO S=C(NCCC[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000007026915 170262813 /nfs/dbraw/zinc/26/28/13/170262813.db2.gz PEOSUCKLLXGVTC-UHFFFAOYSA-N 1 0 297.855 3.112 40 0 CGABRO Cc1ccc(C)c(NC(=S)NCCC[NH+]2CCCC2)c1 ZINC000007026929 170262963 /nfs/dbraw/zinc/26/29/63/170262963.db2.gz YFCWXWUSBKEZPY-UHFFFAOYSA-N 1 0 291.464 3.076 40 0 CGABRO COc1cccc(C=O)c1OCCC[N@@H+]1CCCC[C@H]1C ZINC000008731557 170351260 /nfs/dbraw/zinc/35/12/60/170351260.db2.gz YKTBDIHSLXXFHL-CQSZACIVSA-N 1 0 291.391 3.151 40 0 CGABRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)[C@@H](O)c1ccc(O)cc1 ZINC000011616368 170427639 /nfs/dbraw/zinc/42/76/39/170427639.db2.gz PTGXAUBQBSGPKF-YZVOILCLSA-N 1 0 299.414 3.425 40 0 in-man CGABRO CC[C@H]1CCCC[N@@H+]1CCOc1ccc(C=O)cc1OC ZINC000020131564 171020181 /nfs/dbraw/zinc/02/01/81/171020181.db2.gz NJGDWSPTZNZAOS-HNNXBMFYSA-N 1 0 291.391 3.151 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072361653 176377647 /nfs/dbraw/zinc/37/76/47/176377647.db2.gz KMRMMUJQDBSJQG-AWEZNQCLSA-N 1 0 298.390 3.252 40 0 CGABRO c1c[nH]c(C[N@H+]2CC[C@H](Cc3cnc4ccccc4c3)C2)n1 ZINC000072368025 176382427 /nfs/dbraw/zinc/38/24/27/176382427.db2.gz WTUODQKXDKFKBR-CQSZACIVSA-N 1 0 292.386 3.023 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072375923 176385321 /nfs/dbraw/zinc/38/53/21/176385321.db2.gz JKUBYOPIHLEZDK-AWEZNQCLSA-N 1 0 297.406 3.203 40 0 CGABRO COc1cccc(-c2cc([C@@H]3CCC[NH2+]C3)ccn2)c1 ZINC000072386793 176392323 /nfs/dbraw/zinc/39/23/23/176392323.db2.gz PSKVJZSAUMUWGL-OAHLLOKOSA-N 1 0 268.360 3.224 40 0 CGABRO CC(C)(C)c1[nH]c2ncccc2c1C[NH+]1CCSCC1 ZINC000072393630 176394580 /nfs/dbraw/zinc/39/45/80/176394580.db2.gz RWQJLVFSOXLSRD-UHFFFAOYSA-N 1 0 289.448 3.409 40 0 CGABRO CC(C)c1[nH]c2ncccc2c1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000019497521 273559295 /nfs/dbraw/zinc/55/92/95/273559295.db2.gz CPHPWTVYENAAHA-CHWSQXEVSA-N 1 0 287.407 3.296 40 0 CGABRO CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cc(O)cc1C ZINC000038817306 276005228 /nfs/dbraw/zinc/00/52/28/276005228.db2.gz BWDXZCNWLNJBBI-OAHLLOKOSA-N 1 0 290.407 3.212 40 0 in-vitro CGABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccco1)Cc1ccccn1 ZINC000019527163 279303019 /nfs/dbraw/zinc/30/30/19/279303019.db2.gz GENIFBSXQCGEPA-QGZVFWFLSA-N 1 0 299.418 3.161 40 0 CGABRO CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CC[N@@H+]2C ZINC000004896867 288378034 /nfs/dbraw/zinc/37/80/34/288378034.db2.gz JYRBQCWXZNDERM-USXIJHARSA-N 1 0 259.393 3.326 40 0 in-vitro CGABRO O=C(C[NH+]1CCCC1)C12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000016790367 295498680 /nfs/dbraw/zinc/49/86/80/295498680.db2.gz YCRVGXZQJHECFK-KWOWKCNFSA-N 1 0 261.409 3.258 40 0 CGABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1 ZINC000007520502 528195840 /nfs/dbraw/zinc/19/58/40/528195840.db2.gz AVZPDGKSXQLVST-UHFFFAOYSA-N 1 0 285.343 3.375 40 0 CGABRO CC(C)[C@@H]([NH3+])c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000095534767 185007916 /nfs/dbraw/zinc/00/79/16/185007916.db2.gz KIQQCJTWTBCHEG-SNVBAGLBSA-N 1 0 284.285 3.146 40 0 CGABRO [NH3+][C@H](Cc1ccccc1)c1nnc(-c2cccc(Cl)c2)[nH]1 ZINC000095534837 185007964 /nfs/dbraw/zinc/00/79/64/185007964.db2.gz YBUHDJRXVFHOMT-CQSZACIVSA-N 1 0 298.777 3.368 40 0 CGABRO c1coc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC000096049291 185073177 /nfs/dbraw/zinc/07/31/77/185073177.db2.gz ILBBJLQNEYKYRN-UHFFFAOYSA-N 1 0 274.408 3.120 40 0 CGABRO CCc1cc(N2CCc3ccccc3C2)nc(NC2CC2)[nH+]1 ZINC000329043777 136377689 /nfs/dbraw/zinc/37/76/89/136377689.db2.gz SUUQRAJNJQXACG-UHFFFAOYSA-N 1 0 294.402 3.176 40 0 CGABRO C[NH2+]C[C@H](O)CC12CCC(c3ccccc31)c1ccccc12 ZINC000001481890 290718578 /nfs/dbraw/zinc/71/85/78/290718578.db2.gz FDXQKWSTUZCCTM-ZUIJCZDSSA-N 1 0 293.410 3.182 40 0 in-man CGABRO C[C@H]1CCCN([C@H](C[NH3+])c2ccccc2Br)C1 ZINC000108018427 345936382 /nfs/dbraw/zinc/93/63/82/345936382.db2.gz IBLBHSHLRDRWHD-SMDDNHRTSA-N 1 0 297.240 3.181 40 0 CGABRO c1cc2n(c1)C[C@H](CCOCC1CC1)C[N@H+](C1CCC1)C2 ZINC000585095287 346724599 /nfs/dbraw/zinc/72/45/99/346724599.db2.gz NORALQMJOHNJIF-INIZCTEOSA-N 1 0 288.435 3.289 40 0 CGABRO Cc1ccccc1C(=O)N1CC[C@@]2(CCC[N@@H+]2CC2CC2)C1 ZINC000585099633 346724649 /nfs/dbraw/zinc/72/46/49/346724649.db2.gz UEZCHOABZBKEHR-IBGZPJMESA-N 1 0 298.430 3.086 40 0 CGABRO CC(C)C[NH2+][C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585288909 346725811 /nfs/dbraw/zinc/72/58/11/346725811.db2.gz BRDYACGYIJPUKO-ARFHVFGLSA-N 1 0 297.826 3.246 40 0 CGABRO Cc1cc(-c2ccc(C[C@H]3CC[N@@H+](C(C)C)C3)cn2)n[nH]1 ZINC000585180192 346726115 /nfs/dbraw/zinc/72/61/15/346726115.db2.gz AYHQHKQHUUGNRA-OAHLLOKOSA-N 1 0 284.407 3.053 40 0 CGABRO c1cc([C@@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)n[nH]1 ZINC000121287298 138367604 /nfs/dbraw/zinc/36/76/04/138367604.db2.gz RVADREYUHVBPND-CQSZACIVSA-N 1 0 280.375 3.271 40 0 CGABRO CCOc1cc(C[NH2+]CCCOC)ccc1OCC(C)C ZINC000225157894 189744713 /nfs/dbraw/zinc/74/47/13/189744713.db2.gz AZGXQHHOZWGBIN-UHFFFAOYSA-N 1 0 295.423 3.246 40 0 CGABRO CC[C@H](C)[C@@H](C(=O)OC1CC[NH+](C)CC1)c1ccccc1 ZINC000000155897 368304791 /nfs/dbraw/zinc/30/47/91/368304791.db2.gz UKQYEYCQIQBHBC-WMLDXEAASA-N 1 0 289.419 3.454 40 0 in-man CGABRO CC[C@H](C)Nc1ncnc2c1cnn2-c1cccc(C)c1 ZINC000000425599 368362830 /nfs/dbraw/zinc/36/28/30/368362830.db2.gz ZTDJYKDOKYGZAY-LBPRGKRZSA-N 1 0 281.363 3.334 40 0 CGABRO OC(C[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000001666517 368427477 /nfs/dbraw/zinc/42/74/77/368427477.db2.gz VLAFYUVTPRORNA-UHFFFAOYSA-N 1 0 281.399 3.408 40 0 CGABRO CC[C@@H](C)[NH2+]CCNc1cc(OC)cc2cccnc21 ZINC000001656151 368427855 /nfs/dbraw/zinc/42/78/55/368427855.db2.gz VAQXHINHDXOSSE-GFCCVEGCSA-N 1 0 273.380 3.043 40 0 CGABRO C[NH+](C)C[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001670706 368428740 /nfs/dbraw/zinc/42/87/40/368428740.db2.gz XEUOPBITPYQCMJ-IAGOWNOFSA-N 1 0 255.361 3.065 40 0 CGABRO CCCC[NH+](CCCC)Cc1ccnc(C)c1O ZINC000001683218 368431896 /nfs/dbraw/zinc/43/18/96/368431896.db2.gz BQMPHVPRLTVKCQ-UHFFFAOYSA-N 1 0 250.386 3.498 40 0 CGABRO C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1OC(=O)c1ccccc1 ZINC000001869859 368440297 /nfs/dbraw/zinc/44/02/97/368440297.db2.gz LBQGJHNNGUZLOH-QZTJIDSGSA-N 1 0 295.382 3.461 40 0 CGABRO CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c([N+]#N)c1 ZINC000005386873 368561439 /nfs/dbraw/zinc/56/14/39/368561439.db2.gz JQBXDBXIJYZMGS-UHFFFAOYSA-N 1 0 275.723 3.008 40 0 CGABRO O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010333495 368580078 /nfs/dbraw/zinc/58/00/78/368580078.db2.gz VBXZBKACLIBXGD-JQHSSLGASA-N 1 0 298.430 3.201 40 0 CGABRO CC1(C)CC=CC[N@H+](Cc2ccnn2[C@@H]2CCCCO2)C1 ZINC000012146539 368604959 /nfs/dbraw/zinc/60/49/59/368604959.db2.gz WRQGXTISCNZQJF-INIZCTEOSA-N 1 0 289.423 3.370 40 0 CGABRO Cc1cccc(CC[NH2+]Cc2cc3ccccc3[nH]c2=O)c1 ZINC000013998875 368673078 /nfs/dbraw/zinc/67/30/78/368673078.db2.gz IRZKFPVLILKCNE-UHFFFAOYSA-N 1 0 292.382 3.169 40 0 CGABRO c1ccc([C@H]2[NH2+]CC3(CCOCC3)c3ccccc32)cc1 ZINC000019789202 368765332 /nfs/dbraw/zinc/76/53/32/368765332.db2.gz ICFBIQTYGQSYPR-GOSISDBHSA-N 1 0 279.383 3.427 40 0 CGABRO CCN(CC[NH+](CC)CC)C(=O)c1ccc(Cl)cc1 ZINC000019074501 368744712 /nfs/dbraw/zinc/74/47/12/368744712.db2.gz XIFXFXKREHQQNE-UHFFFAOYSA-N 1 0 282.815 3.144 40 0 CGABRO [NH3+][C@H](Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 ZINC000022866995 368812061 /nfs/dbraw/zinc/81/20/61/368812061.db2.gz ZWFNPSCBOVCVTB-CYBMUJFWSA-N 1 0 276.343 3.287 40 0 CGABRO COC(=O)[C@H](c1ccc2ccccc2c1)[C@@H]1CCCC[NH2+]1 ZINC000029476885 368894863 /nfs/dbraw/zinc/89/48/63/368894863.db2.gz DNRNSIJBSCBESJ-DLBZAZTESA-N 1 0 283.371 3.239 40 0 CGABRO C[C@H](C[NH2+][C@@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000047219041 369309972 /nfs/dbraw/zinc/30/99/72/369309972.db2.gz KPIIVEYPTCQGJK-OLZOCXBDSA-N 1 0 263.381 3.315 40 0 CGABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)o1 ZINC000049169502 369391355 /nfs/dbraw/zinc/39/13/55/369391355.db2.gz ZCCPRINULBOBGC-LBPRGKRZSA-N 1 0 299.330 3.221 40 0 biogenic,in-vitro CGABRO C[NH2+]C[C@@H](OC(C)C)c1ccc(Br)cc1 ZINC000050483424 369440025 /nfs/dbraw/zinc/44/00/25/369440025.db2.gz YVUHKZSGYREHBF-GFCCVEGCSA-N 1 0 272.186 3.135 40 0 CGABRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000053906584 369489854 /nfs/dbraw/zinc/48/98/54/369489854.db2.gz USLZOFHFXTUGBC-OAHLLOKOSA-N 1 0 263.381 3.497 40 0 CGABRO Brc1ccc2oc([C@@H]3CCC[NH2+]C3)nc2c1 ZINC000062557593 369625079 /nfs/dbraw/zinc/62/50/79/369625079.db2.gz WGMCAXXDWZXUHA-MRVPVSSYSA-N 1 0 281.153 3.057 40 0 CGABRO CCOc1cc(C[N@@H+]2CC[C@@H](CC)C2)ccc1OC ZINC000091929641 370081287 /nfs/dbraw/zinc/08/12/87/370081287.db2.gz ADABDHPILACLIK-CYBMUJFWSA-N 1 0 263.381 3.326 40 0 CGABRO COc1ccc2c(c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000097758934 370253066 /nfs/dbraw/zinc/25/30/66/370253066.db2.gz IDPLGDDZKKYYFD-UHFFFAOYSA-N 1 0 253.345 3.254 40 0 CGABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)N1c1ccccc1 ZINC000096056612 370203363 /nfs/dbraw/zinc/20/33/63/370203363.db2.gz RSHLDBAWXXQATR-IAGOWNOFSA-N 1 0 296.370 3.050 40 0 CGABRO c1ncc(C[N@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)[nH]1 ZINC000257210761 190011979 /nfs/dbraw/zinc/01/19/79/190011979.db2.gz BWBDQCSIGNYLEP-CQSZACIVSA-N 1 0 292.386 3.023 40 0 CGABRO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@@H](c2cc[nH]n2)C1 ZINC000257212017 190013058 /nfs/dbraw/zinc/01/30/58/190013058.db2.gz CBOSETXNGDZEHB-GFCCVEGCSA-N 1 0 298.365 3.328 40 0 CGABRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)s1 ZINC000257217168 190013627 /nfs/dbraw/zinc/01/36/27/190013627.db2.gz CXUUNKKAFQYANE-AWEZNQCLSA-N 1 0 259.378 3.184 40 0 CGABRO Cc1cccc(C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257221296 190014945 /nfs/dbraw/zinc/01/49/45/190014945.db2.gz DOJDQTRCTMPWBM-INIZCTEOSA-N 1 0 281.403 3.240 40 0 CGABRO Clc1ccc(C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000257240294 190018653 /nfs/dbraw/zinc/01/86/53/190018653.db2.gz HSWWPZDINZJTKP-AWEZNQCLSA-N 1 0 265.784 3.041 40 0 CGABRO CC(C)n1nccc1-c1ccc(C[C@@H]2CCC[NH2+]C2)cn1 ZINC000257256223 190021525 /nfs/dbraw/zinc/02/15/25/190021525.db2.gz KKNMSNVNASROHW-AWEZNQCLSA-N 1 0 284.407 3.068 40 0 CGABRO CCc1cc(C[C@@H]2CCC[NH2+]CC2)c2cnccc2n1 ZINC000257290537 190027482 /nfs/dbraw/zinc/02/74/82/190027482.db2.gz QDJPMAMULDTSRH-CYBMUJFWSA-N 1 0 269.392 3.124 40 0 CGABRO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257328256 190034929 /nfs/dbraw/zinc/03/49/29/190034929.db2.gz XEWGOVCXIFHAPS-HNNXBMFYSA-N 1 0 297.406 3.255 40 0 CGABRO CC(C)n1nccc1-c1ccc(CC2CC[NH+](C)CC2)cn1 ZINC000257335860 190036064 /nfs/dbraw/zinc/03/60/64/190036064.db2.gz YMFLRVNEWMOFRQ-UHFFFAOYSA-N 1 0 298.434 3.410 40 0 CGABRO Cc1cnc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)s1 ZINC000257342597 190037076 /nfs/dbraw/zinc/03/70/76/190037076.db2.gz ZPKKEGREWPFYSF-CYBMUJFWSA-N 1 0 273.405 3.226 40 0 CGABRO [NH3+]CCSc1n[nH]c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000224978722 376289501 /nfs/dbraw/zinc/28/95/01/376289501.db2.gz HSYDIAPBSHHRDP-UHFFFAOYSA-N 1 0 296.399 3.190 40 0 CGABRO CCCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000225161948 376296657 /nfs/dbraw/zinc/29/66/57/376296657.db2.gz XJUHXZSRFBKDGD-UONOGXRCSA-N 1 0 263.381 3.305 40 0 CGABRO CCCNc1ncc([C@@H]([NH3+])c2ccccc2)cc1C ZINC000072222182 256706803 /nfs/dbraw/zinc/70/68/03/256706803.db2.gz RUFQLSGPNDRRSO-HNNXBMFYSA-N 1 0 255.365 3.260 40 0 CGABRO Cc1ccc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c(C)c1 ZINC000002388719 391914952 /nfs/dbraw/zinc/91/49/52/391914952.db2.gz YTVBIIWCZUTCRJ-ULQDDVLXSA-N 1 0 291.435 3.306 40 0 CGABRO CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccc[n+](C)c3)[C@@H]1[C@H]2C ZINC000004027163 391918355 /nfs/dbraw/zinc/91/83/55/391918355.db2.gz JHAJBRWIERGXKC-NNCYVUHOSA-N 1 0 258.385 3.047 40 0 CGABRO C[NH2+][C@@H](CN1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000022465495 391946143 /nfs/dbraw/zinc/94/61/43/391946143.db2.gz LRRGBERSAASSOC-ZDUSSCGKSA-N 1 0 273.207 3.350 40 0 CGABRO CCC[C@H]([NH2+]Cc1cnc(NC)nc1)c1ccccc1 ZINC000062717474 392133183 /nfs/dbraw/zinc/13/31/83/392133183.db2.gz JWRZXRNRNVRMRB-HNNXBMFYSA-N 1 0 270.380 3.149 40 0 CGABRO CCCC[N@@H+]1CCC[C@@H]1c1cnc(N(C)C)cc1C ZINC000072218685 392200444 /nfs/dbraw/zinc/20/04/44/392200444.db2.gz RFGUTEPEQPDFGW-OAHLLOKOSA-N 1 0 261.413 3.393 40 0 CGABRO CC(C)C[N@@H+]1CCC[C@@]2(CCN(c3ccccn3)C2)C1 ZINC000096215272 392246903 /nfs/dbraw/zinc/24/69/03/392246903.db2.gz PRZFXCNAKBRMPP-QGZVFWFLSA-N 1 0 273.424 3.030 40 0 CGABRO COc1ccc2cc(Br)ccc2c1CC[NH3+] ZINC000044248988 397618819 /nfs/dbraw/zinc/61/88/19/397618819.db2.gz FFHZPKMTVYHHDV-UHFFFAOYSA-N 1 0 280.165 3.112 40 0 CGABRO O=C(Cc1ccccc1)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005647027 170123501 /nfs/dbraw/zinc/12/35/01/170123501.db2.gz ANRKBSNCMOEINP-SJORKVTESA-N 1 0 287.403 3.037 40 0 biogenic,in-vitro CGABRO CC[C@@H](CNc1cc(OC)cc2cccnc21)[NH2+]C(C)C ZINC000005846078 170146753 /nfs/dbraw/zinc/14/67/53/170146753.db2.gz NEJXNENEWVFUGQ-AWEZNQCLSA-N 1 0 287.407 3.432 40 0 CGABRO CCCCCC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000006427138 170200499 /nfs/dbraw/zinc/20/04/99/170200499.db2.gz WQBVRPXYHJXLOT-UHFFFAOYSA-N 1 0 251.370 3.374 40 0 CGABRO COc1ccc(C(=O)[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000006437164 170201475 /nfs/dbraw/zinc/20/14/75/170201475.db2.gz XVFCULDDSWYQLS-QGZVFWFLSA-N 1 0 283.371 3.223 40 0 CGABRO [NH3+]CCc1c2cccc(Cl)c2[nH]c1-c1ccncc1 ZINC000006733578 170236567 /nfs/dbraw/zinc/23/65/67/170236567.db2.gz OEMRAYIWIDVJQM-UHFFFAOYSA-N 1 0 271.751 3.385 40 0 CGABRO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000006934319 170256569 /nfs/dbraw/zinc/25/65/69/170256569.db2.gz CEZPKIGJZWWHJT-XHDPSFHLSA-N 1 0 256.349 3.152 40 0 CGABRO Cc1c(Cl)cccc1-c1ccc(C[NH2+]C[C@H](C)O)o1 ZINC000007538967 170290059 /nfs/dbraw/zinc/29/00/59/170290059.db2.gz KUWGOUGNUNNVRI-JTQLQIEISA-N 1 0 279.767 3.379 40 0 CGABRO CCOc1cc(C=O)ccc1OCC[NH+]1CCC(C)CC1 ZINC000009237720 170368057 /nfs/dbraw/zinc/36/80/57/170368057.db2.gz YSWFBSHFHPWANG-UHFFFAOYSA-N 1 0 291.391 3.009 40 0 CGABRO O=c1[nH]c2ccccc2cc1C[NH2+]CCCc1ccccc1 ZINC000013998897 170615150 /nfs/dbraw/zinc/61/51/50/170615150.db2.gz ANPZBCSSOLSFND-UHFFFAOYSA-N 1 0 292.382 3.251 40 0 CGABRO [NH3+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000020483477 171223648 /nfs/dbraw/zinc/22/36/48/171223648.db2.gz FRLAPJUTCPQDCQ-UHFFFAOYSA-N 1 0 292.176 3.487 40 0 CGABRO [NH3+]Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000022148669 171357699 /nfs/dbraw/zinc/35/76/99/171357699.db2.gz HQNSKVZAZWCPKE-UHFFFAOYSA-N 1 0 294.276 3.416 40 0 CGABRO c1ccc(CN(Cc2ccccc2)[C@H]2CC[NH2+]C2)cc1 ZINC000051783473 175524559 /nfs/dbraw/zinc/52/45/59/175524559.db2.gz RSBBPYMMUAWQSI-SFHVURJKSA-N 1 0 266.388 3.051 40 0 CGABRO Fc1ccccc1-c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072356396 176375701 /nfs/dbraw/zinc/37/57/01/176375701.db2.gz NTCRFJCTYMHRRT-LBPRGKRZSA-N 1 0 256.324 3.355 40 0 CGABRO Cc1nc(-c2ccc(F)c(F)c2)cc(C2CC[NH2+]CC2)n1 ZINC000072365101 176380245 /nfs/dbraw/zinc/38/02/45/176380245.db2.gz CGMLYFAQOQQQIY-UHFFFAOYSA-N 1 0 289.329 3.197 40 0 CGABRO Cc1ccc(Nc2nccc([C@H]3CCC[N@H+]3C(C)C)n2)nc1 ZINC000072377455 176385606 /nfs/dbraw/zinc/38/56/06/176385606.db2.gz NLATYIRTCIFXSN-OAHLLOKOSA-N 1 0 297.406 3.469 40 0 CGABRO COCCC[NH2+][C@H](C)c1ccn(Cc2ccccc2)c1 ZINC000078406233 177338453 /nfs/dbraw/zinc/33/84/53/177338453.db2.gz OZHORBMEOXMTKI-OAHLLOKOSA-N 1 0 272.392 3.224 40 0 CGABRO CC(C)N(CC[NH3+])Cc1cc(Cl)ccc1Cl ZINC000079420162 177486726 /nfs/dbraw/zinc/48/67/26/177486726.db2.gz FTKFZOIWWXOOAG-UHFFFAOYSA-N 1 0 261.196 3.163 40 0 CGABRO C[C@@H]1CCCN([C@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000242574921 287359281 /nfs/dbraw/zinc/35/92/81/287359281.db2.gz NJLPFISAWFGTMU-BXUZGUMPSA-N 1 0 252.789 3.072 40 0 CGABRO NC(=[NH2+])c1ccc(OCc2ccccc2Cl)cc1 ZINC000019441418 274932136 /nfs/dbraw/zinc/93/21/36/274932136.db2.gz OOZUCVWMJZTWQL-UHFFFAOYSA-N 1 0 260.724 3.203 40 0 CGABRO C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000019366235 275393477 /nfs/dbraw/zinc/39/34/77/275393477.db2.gz QHYOXODERCRGTD-USTZCAOPSA-N 1 0 276.468 3.230 40 0 CGABRO CCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000218744171 276014178 /nfs/dbraw/zinc/01/41/78/276014178.db2.gz ABIUUKNUNRYAKJ-UHFFFAOYSA-N 1 0 254.171 3.217 40 0 CGABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]([NH3+])c1ccccc1 ZINC000072208713 278387036 /nfs/dbraw/zinc/38/70/36/278387036.db2.gz UNGCJHBVTMJSNS-HUUCEWRRSA-N 1 0 290.407 3.476 40 0 CGABRO C[C@H]1CCCN([C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000022166023 290452918 /nfs/dbraw/zinc/45/29/18/290452918.db2.gz HTUFBLYJYHUCRK-FZMZJTMJSA-N 1 0 297.240 3.181 40 0 CGABRO c1ccc(C[N@H+](Cc2ccccn2)C[C@H]2CCOC2)cc1 ZINC000072398436 526468451 /nfs/dbraw/zinc/46/84/51/526468451.db2.gz WPFLSAYKHQXLTG-QGZVFWFLSA-N 1 0 282.387 3.120 40 0 CGABRO Cc1ccccc1-c1nnc([C@H]([NH3+])Cc2ccccc2)[nH]1 ZINC000095534890 185008469 /nfs/dbraw/zinc/00/84/69/185008469.db2.gz TVFURRFLTZEMQS-OAHLLOKOSA-N 1 0 278.359 3.023 40 0 CGABRO COc1ccc(NC[C@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000095951405 185040339 /nfs/dbraw/zinc/04/03/39/185040339.db2.gz PZVAUIQCXCSUKE-AWEZNQCLSA-N 1 0 270.376 3.285 40 0 CGABRO c1cc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)co1 ZINC000096049293 185073603 /nfs/dbraw/zinc/07/36/03/185073603.db2.gz PHWUJWAHRYHJMQ-UHFFFAOYSA-N 1 0 274.408 3.120 40 0 CGABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096056714 185077976 /nfs/dbraw/zinc/07/79/76/185077976.db2.gz WLUZQRWPHGWGOF-JKSUJKDBSA-N 1 0 295.448 3.074 40 0 CGABRO C[C@H]1C[C@H]2C[N@H+](Cc3ccc4ccccc4n3)CC[C@@H]2O1 ZINC000096070525 185086389 /nfs/dbraw/zinc/08/63/89/185086389.db2.gz RBFGSLAVALTHFZ-YEWWUXTCSA-N 1 0 282.387 3.234 40 0 CGABRO COC[C@H]1COCCC12CC[NH+](Cc1cccs1)CC2 ZINC000096106253 185098732 /nfs/dbraw/zinc/09/87/32/185098732.db2.gz FEFIPINEQHBXHG-AWEZNQCLSA-N 1 0 295.448 3.013 40 0 CGABRO C[C@@H]1C[C@@](O)(Cc2cccc3ccccc32)[C@@H](C)C[N@@H+]1C ZINC000022002489 344893681 /nfs/dbraw/zinc/89/36/81/344893681.db2.gz NVBSQIZIZBOTAX-QMTMVMCOSA-N 1 0 283.415 3.474 40 0 CGABRO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000046959903 345047478 /nfs/dbraw/zinc/04/74/78/345047478.db2.gz MKNWQEMCMBUTHT-HNNXBMFYSA-N 1 0 288.435 3.155 40 0 CGABRO [NH3+]CCc1ncc(-c2ccc(F)c3ccccc23)o1 ZINC000085390699 179047987 /nfs/dbraw/zinc/04/79/87/179047987.db2.gz BYASKLPLHZEDDV-UHFFFAOYSA-N 1 0 256.280 3.135 40 0 CGABRO COCC[NH2+]Cc1ccc(Br)c2ccccc12 ZINC000085391749 179048497 /nfs/dbraw/zinc/04/84/97/179048497.db2.gz ZVKKVEXKEFNEKC-UHFFFAOYSA-N 1 0 294.192 3.338 40 0 CGABRO Cc1c(C)n(C)c2ccc(NC(=O)CC3CC[NH2+]CC3)cc12 ZINC000585164853 346726017 /nfs/dbraw/zinc/72/60/17/346726017.db2.gz FFHXSOXWQIPATC-UHFFFAOYSA-N 1 0 299.418 3.123 40 0 CGABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(C)s1)C2 ZINC000107751697 186189020 /nfs/dbraw/zinc/18/90/20/186189020.db2.gz WLUZQRWPHGWGOF-HOTGVXAUSA-N 1 0 295.448 3.074 40 0 CGABRO CCOC(=O)C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000001569398 368419666 /nfs/dbraw/zinc/41/96/66/368419666.db2.gz BLNAEFOCNRFVFF-INIZCTEOSA-N 1 0 275.392 3.413 40 0 CGABRO OCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1Cl ZINC000001666260 368427985 /nfs/dbraw/zinc/42/79/85/368427985.db2.gz DGPTUOCACJKOGN-INIZCTEOSA-N 1 0 275.779 3.206 40 0 CGABRO COc1cc(NCCC[NH2+]C(C)C)c2nccc(C)c2c1 ZINC000001677540 368429983 /nfs/dbraw/zinc/42/99/83/368429983.db2.gz FRJNBBPUGUZFEQ-UHFFFAOYSA-N 1 0 287.407 3.352 40 0 CGABRO C[N@@H+]1CCC(=O)C(c2ccccc2)(c2ccccc2)CC1 ZINC000001681676 368431509 /nfs/dbraw/zinc/43/15/09/368431509.db2.gz MADWTYLXETXWLD-UHFFFAOYSA-N 1 0 279.383 3.267 40 0 CGABRO C[C@@H](COC(=O)c1ccccc1)[NH2+]C1CCCCC1 ZINC000001714839 368434166 /nfs/dbraw/zinc/43/41/66/368434166.db2.gz VYOGAMNPDNSPEN-ZDUSSCGKSA-N 1 0 261.365 3.154 40 0 CGABRO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000002694455 368473056 /nfs/dbraw/zinc/47/30/56/368473056.db2.gz KCXDJIWVKTZZAH-GJZGRUSLSA-N 1 0 277.408 3.036 40 0 CGABRO COC(=O)/C(=C\c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000005340842 368561809 /nfs/dbraw/zinc/56/18/09/368561809.db2.gz KDNZTTATNGKRIP-KAMYIIQDSA-N 1 0 293.794 3.382 40 0 CGABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000004197762 368536411 /nfs/dbraw/zinc/53/64/11/368536411.db2.gz VBRPHTQWMPRTIL-YDHLFZDLSA-N 1 0 297.826 3.343 40 0 CGABRO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCCC1 ZINC000008730439 368575063 /nfs/dbraw/zinc/57/50/63/368575063.db2.gz JPRVDULVBRZMLF-UHFFFAOYSA-N 1 0 256.349 3.092 40 0 CGABRO COc1ccccc1OCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000015424213 368695383 /nfs/dbraw/zinc/69/53/83/368695383.db2.gz NGICOCXTHGKXMB-UHFFFAOYSA-N 1 0 296.370 3.345 40 0 CGABRO Cc1ccc(C[NH2+]Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000013998408 368672634 /nfs/dbraw/zinc/67/26/34/368672634.db2.gz HNFDCDCAJIORPL-UHFFFAOYSA-N 1 0 292.382 3.435 40 0 CGABRO Cc1cc(C)[n+](C)c(/C=C\c2ccccc2Cl)n1 ZINC000017145591 368728487 /nfs/dbraw/zinc/72/84/87/368728487.db2.gz PRZHHUKSJWYGFR-HJWRWDBZSA-N 1 0 259.760 3.347 40 0 CGABRO Cc1ccc(C[NH+](C)C)c([C@@H](O)c2ccccc2)c1 ZINC000017380256 368733279 /nfs/dbraw/zinc/73/32/79/368733279.db2.gz HNFLYAXDXOQHQS-KRWDZBQOSA-N 1 0 255.361 3.138 40 0 CGABRO Cc1ccccc1C[NH2+][C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019237275 368745583 /nfs/dbraw/zinc/74/55/83/368745583.db2.gz JMOVCCJFWOMGLP-ZWKOTPCHSA-N 1 0 285.362 3.406 40 0 CGABRO Cc1ccsc1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(C)ncc12 ZINC000019238608 368746073 /nfs/dbraw/zinc/74/60/73/368746073.db2.gz XYUVWJONYGFYEN-SWLSCSKDSA-N 1 0 285.416 3.417 40 0 CGABRO COC(=O)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000020368404 368807411 /nfs/dbraw/zinc/80/74/11/368807411.db2.gz HHYPEAOPTICQSM-UHFFFAOYSA-N 1 0 253.386 3.127 40 0 CGABRO C[NH+](C)CCN(Cc1ccsc1)Cc1cccs1 ZINC000023247843 368818233 /nfs/dbraw/zinc/81/82/33/368818233.db2.gz DVPARCIXDIXELP-UHFFFAOYSA-N 1 0 280.462 3.373 40 0 CGABRO O[C@H](C[NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000026897958 368864748 /nfs/dbraw/zinc/86/47/48/368864748.db2.gz APTMYAYREOUIFX-OAHLLOKOSA-N 1 0 261.752 3.163 40 0 CGABRO Clc1ccc(Cl)c(CO[C@H]2CCC[NH2+]C2)c1 ZINC000034268906 368974018 /nfs/dbraw/zinc/97/40/18/368974018.db2.gz NMLUXSNKRVKUNI-NSHDSACASA-N 1 0 260.164 3.262 40 0 CGABRO COCCC[NH2+]Cc1ccccc1OC1CCCC1 ZINC000032113243 368925179 /nfs/dbraw/zinc/92/51/79/368925179.db2.gz UGPYCJHOVSCNSS-UHFFFAOYSA-N 1 0 263.381 3.134 40 0 CGABRO [NH3+]C[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000034958726 368982651 /nfs/dbraw/zinc/98/26/51/368982651.db2.gz OMLYTSCCWWLIPH-NSHDSACASA-N 1 0 273.207 3.307 40 0 CGABRO [NH3+]CCSc1ccnc2ccc(C(F)(F)F)cc21 ZINC000036533613 369022057 /nfs/dbraw/zinc/02/20/57/369022057.db2.gz PRCAYOHEFMOOCL-UHFFFAOYSA-N 1 0 272.295 3.304 40 0 CGABRO CC(C)(C)C[N@@H+]1CC[C@H](c2nnc(-c3ccco3)o2)C1 ZINC000049169510 369391415 /nfs/dbraw/zinc/39/14/15/369391415.db2.gz JESPBQIGLLRZCQ-NSHDSACASA-N 1 0 275.352 3.165 40 0 biogenic,in-vitro CGABRO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000088611784 370036913 /nfs/dbraw/zinc/03/69/13/370036913.db2.gz GPXKIJMETNRECD-OAHLLOKOSA-N 1 0 286.375 3.364 40 0 CGABRO Cc1cc(C)c(C[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1C ZINC000248122112 189945120 /nfs/dbraw/zinc/94/51/20/189945120.db2.gz YGAUHRIAVQQHDT-JFIYKMOQSA-N 1 0 275.436 3.246 40 0 CGABRO Cc1cc(-c2cccc(C[C@@H]3CC[N@@H+](C(C)C)C3)n2)n[nH]1 ZINC000257207875 190012066 /nfs/dbraw/zinc/01/20/66/190012066.db2.gz BJSVGPSABNXNKO-AWEZNQCLSA-N 1 0 284.407 3.053 40 0 CGABRO Clc1ccc(C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000257240295 190018534 /nfs/dbraw/zinc/01/85/34/190018534.db2.gz HSWWPZDINZJTKP-CQSZACIVSA-N 1 0 265.784 3.041 40 0 CGABRO Cc1nccc([C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)n1 ZINC000257248162 190019815 /nfs/dbraw/zinc/01/98/15/190019815.db2.gz JCKBHPVZPCODGC-INIZCTEOSA-N 1 0 299.393 3.346 40 0 CGABRO Cc1ccsc1C[NH+]1CCC(c2cnccn2)CC1 ZINC000257268257 190023644 /nfs/dbraw/zinc/02/36/44/190023644.db2.gz MKWLCUGEWIZKEA-UHFFFAOYSA-N 1 0 273.405 3.226 40 0 CGABRO c1[nH]c2ccccc2c1C[NH+]1CCC(c2cnccn2)CC1 ZINC000257263107 190022452 /nfs/dbraw/zinc/02/24/52/190022452.db2.gz LOKLNUHJGSEREJ-UHFFFAOYSA-N 1 0 292.386 3.338 40 0 CGABRO Cc1nccc([C@H]2CCC[N@H+](Cc3ccsc3)C2)n1 ZINC000257278238 190025398 /nfs/dbraw/zinc/02/53/98/190025398.db2.gz OBKQJYRHCAUSSP-AWEZNQCLSA-N 1 0 273.405 3.226 40 0 CGABRO CC(C)n1nccc1C[N@@H+]1CCC[C@H]1CCc1ccncc1 ZINC000257288061 190027307 /nfs/dbraw/zinc/02/73/07/190027307.db2.gz PSQFMJJLHSCDRD-KRWDZBQOSA-N 1 0 298.434 3.456 40 0 CGABRO Cc1cc(CC[C@H]2CCC[N@@H+]2CC2CCOCC2)ccn1 ZINC000257311689 190031642 /nfs/dbraw/zinc/03/16/42/190031642.db2.gz UKQAARSVVGOQES-GOSISDBHSA-N 1 0 288.435 3.214 40 0 CGABRO Cc1cc(CN2CCC[C@H](c3ncc(C)s3)C2)no1 ZINC000257301000 190029122 /nfs/dbraw/zinc/02/91/22/190029122.db2.gz RWMXNQXZUHBZGN-LBPRGKRZSA-N 1 0 277.393 3.128 40 0 CGABRO Cc1csc(Nc2cccc(C3CC[NH+](C)CC3)n2)n1 ZINC000257311159 190032339 /nfs/dbraw/zinc/03/23/39/190032339.db2.gz UIFSLZQJHXVVLI-UHFFFAOYSA-N 1 0 288.420 3.399 40 0 CGABRO C[N@@H+]1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257319276 190033297 /nfs/dbraw/zinc/03/32/97/190033297.db2.gz VRQOZFKITYQNOR-CYBMUJFWSA-N 1 0 274.339 3.214 40 0 CGABRO CC(C)[N@@H+]1CC[C@@H](Cc2cccc(-c3nccs3)n2)C1 ZINC000257338987 190037285 /nfs/dbraw/zinc/03/72/85/190037285.db2.gz YZSILVDEQJKNOR-ZDUSSCGKSA-N 1 0 287.432 3.478 40 0 CGABRO Fc1ccc(N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000225207752 376298938 /nfs/dbraw/zinc/29/89/38/376298938.db2.gz PAQNXKFYEKKZTL-UHFFFAOYSA-N 1 0 296.389 3.115 40 0 CGABRO C[NH+](C)CCC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000255187256 377740193 /nfs/dbraw/zinc/74/01/93/377740193.db2.gz CIPPMFYHLFJVNE-UHFFFAOYSA-N 1 0 279.689 3.493 40 0 CGABRO Fc1ccc(F)c(CN2CCCC[C@H]2c2ccncn2)c1 ZINC000257222789 377795329 /nfs/dbraw/zinc/79/53/29/377795329.db2.gz DURZIYNJXBXJHI-INIZCTEOSA-N 1 0 289.329 3.482 40 0 CGABRO CNc1nc(-c2ccccc2)[n+](-c2ccccc2)s1 ZINC000000041847 169514655 /nfs/dbraw/zinc/51/46/55/169514655.db2.gz FFUBTEITUNMMOK-UHFFFAOYSA-O 1 0 268.365 3.129 40 0 CGABRO OC1/C(=C/c2ccccc2)C[NH2+]C/C1=C/c1ccccc1 ZINC000001624823 285242520 /nfs/dbraw/zinc/24/25/20/285242520.db2.gz ZYPHMHISTJAFFJ-MJZABRMRSA-N 1 0 277.367 3.118 40 0 CGABRO CN(c1ccccc1)c1ncccc1C1=[NH+]CCC1 ZINC000072214239 256713089 /nfs/dbraw/zinc/71/30/89/256713089.db2.gz PVROVIXUHNDQDY-UHFFFAOYSA-N 1 0 251.333 3.432 40 0 CGABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCCCC1 ZINC000003864480 391918892 /nfs/dbraw/zinc/91/88/92/391918892.db2.gz UGFKGDCZWPHAQX-ZJPYXAASSA-N 1 0 297.483 3.311 40 0 CGABRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220571 391954608 /nfs/dbraw/zinc/95/46/08/391954608.db2.gz KYYGBOLBXWBOAP-CQSZACIVSA-N 1 0 294.826 3.077 40 0 CGABRO CCSc1ncc(C[NH2+][C@H](C)c2ccccc2)cn1 ZINC000062717284 392133146 /nfs/dbraw/zinc/13/31/46/392133146.db2.gz PYNXSRXGMRZROX-GFCCVEGCSA-N 1 0 273.405 3.439 40 0 CGABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)C)nc1 ZINC000072212620 392198850 /nfs/dbraw/zinc/19/88/50/392198850.db2.gz FVBZHBWSCXYWJW-OAHLLOKOSA-N 1 0 261.413 3.475 40 0 CGABRO CCCC[N@@H+]1CCC[C@@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218625 392200046 /nfs/dbraw/zinc/20/00/46/392200046.db2.gz VQZKQHTUSDSFJF-OAHLLOKOSA-N 1 0 261.413 3.393 40 0 CGABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1Br ZINC000072221925 392201931 /nfs/dbraw/zinc/20/19/31/392201931.db2.gz LXTHAIGPIADPJN-LBPRGKRZSA-N 1 0 277.165 3.201 40 0 CGABRO Cc1cc2[nH]c(C3=CC[N@H+](C)CC3)nc2cc1Cl ZINC000073636244 392213264 /nfs/dbraw/zinc/21/32/64/392213264.db2.gz COBFCDJGCJJMIE-UHFFFAOYSA-N 1 0 261.756 3.244 40 0 CGABRO C[N@@H+]1CCC[C@H]1COCc1cccc(Br)c1 ZINC000096525815 392257672 /nfs/dbraw/zinc/25/76/72/392257672.db2.gz TXHQMYPZWWEMRS-ZDUSSCGKSA-N 1 0 284.197 3.060 40 0 CGABRO Brc1cccc(C[NH2+]Cc2ccccc2)n1 ZINC000162494159 392597121 /nfs/dbraw/zinc/59/71/21/392597121.db2.gz HGAMKEZAWYEVGK-UHFFFAOYSA-N 1 0 277.165 3.134 40 0 CGABRO CC(C)C[N@@H+]1CCC[C@@H](c2cccc3nccn32)C1 ZINC000257220904 393135887 /nfs/dbraw/zinc/13/58/87/393135887.db2.gz DMSOQAFIXIIMGJ-CQSZACIVSA-N 1 0 257.381 3.170 40 0 CGABRO C[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccccc1 ZINC000005721668 170133270 /nfs/dbraw/zinc/13/32/70/170133270.db2.gz KCGKAZUFEIHZOP-YJBOKZPZSA-N 1 0 269.388 3.331 40 0 CGABRO CC[NH+](CC)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000006384795 170196550 /nfs/dbraw/zinc/19/65/50/170196550.db2.gz WQYKRGOOOWDXBD-NSHDSACASA-N 1 0 268.788 3.317 40 0 CGABRO CC[NH+](CC)C[C@@H](O)c1c(OC)ccc2ccccc21 ZINC000006382466 170196638 /nfs/dbraw/zinc/19/66/38/170196638.db2.gz GYMIPMSSKSUEAZ-OAHLLOKOSA-N 1 0 273.376 3.224 40 0 CGABRO O=Cc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000008731496 170351188 /nfs/dbraw/zinc/35/11/88/170351188.db2.gz RZTLQVUOXMNATH-UHFFFAOYSA-N 1 0 261.365 3.144 40 0 CGABRO CCOc1cc(C[NH2+]C(C)C)ccc1OC(C)C ZINC000034815863 171869326 /nfs/dbraw/zinc/86/93/26/171869326.db2.gz VGHNPCGMRCQZMT-UHFFFAOYSA-N 1 0 251.370 3.371 40 0 CGABRO Fc1ccccc1C[N@@H+]1CC[C@H](c2nc3cccnc3[nH]2)C1 ZINC000035442893 172202872 /nfs/dbraw/zinc/20/28/72/172202872.db2.gz PSRZHRROKHILLW-ZDUSSCGKSA-N 1 0 296.349 3.087 40 0 biogenic,in-vitro CGABRO CC(C)(C)OC(=O)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000036878973 172774445 /nfs/dbraw/zinc/77/44/45/172774445.db2.gz HCYVBUAUJVKTHW-UHFFFAOYSA-N 1 0 282.428 3.166 40 0 CGABRO C[C@@H]1CCC[N@H+](Cc2ccc(N)cc2Br)C1 ZINC000037460440 173224404 /nfs/dbraw/zinc/22/44/04/173224404.db2.gz UKSFEDFIBQWRBQ-SNVBAGLBSA-N 1 0 283.213 3.263 40 0 CGABRO CC(C)CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000038832417 174157288 /nfs/dbraw/zinc/15/72/88/174157288.db2.gz VFCCASFNNBKEEK-OAHLLOKOSA-N 1 0 288.435 3.304 40 0 CGABRO CN(Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000072203556 176341684 /nfs/dbraw/zinc/34/16/84/176341684.db2.gz NXICHINWDCUHHU-LLVKDONJSA-N 1 0 273.207 3.177 40 0 CGABRO CSCc1cccc(NC2CC[NH+](C)CC2)c1 ZINC000072226357 176343236 /nfs/dbraw/zinc/34/32/36/176343236.db2.gz LOTADARSOBXDLV-UHFFFAOYSA-N 1 0 250.411 3.056 40 0 CGABRO O=C1N(c2ccccc2)CC12CC[NH+](CC1CCCC1)CC2 ZINC000096202927 275021497 /nfs/dbraw/zinc/02/14/97/275021497.db2.gz RIZDYMYCCNKEGS-UHFFFAOYSA-N 1 0 298.430 3.306 40 0 CGABRO CC[NH2+]Cc1c(C)nc2ccc(N(C)C)cc2c1Cl ZINC000001562583 276266943 /nfs/dbraw/zinc/26/69/43/276266943.db2.gz ZUFRPRBXHAIGGZ-UHFFFAOYSA-N 1 0 277.799 3.372 40 0 CGABRO C[C@@H]([C@H](O)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001665292 278410591 /nfs/dbraw/zinc/41/05/91/278410591.db2.gz OUBANBNSLLAFIF-FZMZJTMJSA-N 1 0 253.773 3.248 40 0 CGABRO COc1cccc(OC)c1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072221424 295311192 /nfs/dbraw/zinc/31/11/92/295311192.db2.gz REGAZJSOJUWIKR-ZDUSSCGKSA-N 1 0 263.381 3.497 40 0 CGABRO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2ccccc2Cl)n[nH]1 ZINC000095534886 185007887 /nfs/dbraw/zinc/00/78/87/185007887.db2.gz UTWBMNVLUGKJFA-AWEZNQCLSA-N 1 0 298.777 3.368 40 0 CGABRO C[N@@H+]1CCCCC12CCN(Cc1ccsc1)CC2 ZINC000096051192 185074828 /nfs/dbraw/zinc/07/48/28/185074828.db2.gz WPPAXKJENHRUGM-UHFFFAOYSA-N 1 0 264.438 3.198 40 0 CGABRO CC(C)[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096073250 185087828 /nfs/dbraw/zinc/08/78/28/185087828.db2.gz GBJPLBMBBLKMJF-OAHLLOKOSA-N 1 0 263.381 3.307 40 0 CGABRO C[C@H]([NH3+])c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 ZINC000143778725 346115363 /nfs/dbraw/zinc/11/53/63/346115363.db2.gz BRTIHPMUDVKVLP-JTQLQIEISA-N 1 0 299.761 3.059 40 0 CGABRO CCCC[NH2+]Cc1c(Cl)nc2sc(C)cn12 ZINC000256052981 346399768 /nfs/dbraw/zinc/39/97/68/346399768.db2.gz PNIUOXYEPFHXGR-UHFFFAOYSA-N 1 0 257.790 3.247 40 0 CGABRO CCCn1nccc1-c1ncccc1C[C@@H]1CCC[N@H+](C)C1 ZINC000585180195 346725705 /nfs/dbraw/zinc/72/57/05/346725705.db2.gz IVKHWRFSWMIGIC-HNNXBMFYSA-N 1 0 298.434 3.239 40 0 CGABRO Cc1ccc(C(=O)Nc2nc([C@@H]3CCC[NH2+]3)cs2)cc1 ZINC000585266940 346725967 /nfs/dbraw/zinc/72/59/67/346725967.db2.gz XKWKMAVVRYEBMH-LBPRGKRZSA-N 1 0 287.388 3.128 40 0 CGABRO O=C(C[NH2+]C1CCCCC1)Nc1cccc(Cl)c1 ZINC000001671426 368428985 /nfs/dbraw/zinc/42/89/85/368428985.db2.gz YZUMXFCMVRVXQZ-UHFFFAOYSA-N 1 0 266.772 3.201 40 0 CGABRO CCc1ccc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000005477323 368563459 /nfs/dbraw/zinc/56/34/59/368563459.db2.gz VMDAXPFTCFMPFN-ZOBUZTSGSA-N 1 0 291.435 3.252 40 0 CGABRO Cc1cccc(C)c1OC[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000012169974 368605014 /nfs/dbraw/zinc/60/50/14/368605014.db2.gz GUZAMDMFRDCEJA-CKEIUWERSA-N 1 0 291.435 3.021 40 0 CGABRO COc1cc(SC(C)C)c(OC)cc1C[C@@H](C)[NH3+] ZINC000013641751 368660086 /nfs/dbraw/zinc/66/00/86/368660086.db2.gz BCWCXWKCQMBFBQ-SNVBAGLBSA-N 1 0 269.410 3.094 40 0 in-vitro CGABRO C[C@@H](C[N@H+](CCO)Cc1cccs1)c1ccccc1 ZINC000013997440 368673065 /nfs/dbraw/zinc/67/30/65/368673065.db2.gz RMKWJADYBVERGF-AWEZNQCLSA-N 1 0 275.417 3.346 40 0 CGABRO CC1CCC(N2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000019900079 368775655 /nfs/dbraw/zinc/77/56/55/368775655.db2.gz ALKCVQHSCHWEHN-YRUNKUHOSA-N 1 0 288.479 3.395 40 0 CGABRO C[NH+](C)CCN(Cc1cccs1)Cc1cccc(F)c1 ZINC000023247837 368818700 /nfs/dbraw/zinc/81/87/00/368818700.db2.gz DKIBJLPOYGTKNB-UHFFFAOYSA-N 1 0 292.423 3.451 40 0 CGABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ccccc1 ZINC000027984104 368879127 /nfs/dbraw/zinc/87/91/27/368879127.db2.gz QQZUVNPZNYNQKE-AWEZNQCLSA-N 1 0 298.386 3.366 40 0 CGABRO Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000036576567 369023623 /nfs/dbraw/zinc/02/36/23/369023623.db2.gz CLXJBSWMGNPNLE-BBWFWOEESA-N 1 0 291.435 3.306 40 0 CGABRO C[NH2+][C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000053201434 369480899 /nfs/dbraw/zinc/48/08/99/369480899.db2.gz ZCAWZADIRXMZBL-LLVKDONJSA-N 1 0 273.207 3.177 40 0 CGABRO Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000067801166 369730833 /nfs/dbraw/zinc/73/08/33/369730833.db2.gz VBNHPAWKAZXPSA-OAHLLOKOSA-N 1 0 290.407 3.094 40 0 CGABRO CC(C)[NH+]1CCC(O)(c2ccc(F)c(Cl)c2)CC1 ZINC000079030379 369960293 /nfs/dbraw/zinc/96/02/93/369960293.db2.gz VOCOGITZMGEHNU-UHFFFAOYSA-N 1 0 271.763 3.171 40 0 CGABRO C[NH2+][C@H]1CCCC[C@H]1N(Cc1ccccc1)C1CC1 ZINC000079438033 369968855 /nfs/dbraw/zinc/96/88/55/369968855.db2.gz GBXVGBWCLZSMGO-DLBZAZTESA-N 1 0 258.409 3.182 40 0 CGABRO CC(C)Sc1ccccc1C(=O)NC1CC[NH+](C)CC1 ZINC000113959147 370488966 /nfs/dbraw/zinc/48/89/66/370488966.db2.gz IAHJRSHTTAEKBY-UHFFFAOYSA-N 1 0 292.448 3.011 40 0 CGABRO C[NH+](C)[C@@H]1CCC2=N[C@H]3C=CC(Br)=CC3=C2C1 ZINC000329060641 374398114 /nfs/dbraw/zinc/39/81/14/374398114.db2.gz WMYJERFRHFHULG-MFKMUULPSA-N 1 0 293.208 3.069 40 0 CGABRO Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCC[NH2+]2)n1 ZINC000257197638 190009926 /nfs/dbraw/zinc/00/99/26/190009926.db2.gz FJTRFZYKQUJGPF-ZDUSSCGKSA-N 1 0 288.782 3.194 40 0 CGABRO Cn1cccc1C[N@@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257211003 190012048 /nfs/dbraw/zinc/01/20/48/190012048.db2.gz BXBOLGFLSQZGNJ-MRXNPFEDSA-N 1 0 269.392 3.017 40 0 CGABRO c1ncc(C[N@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)[nH]1 ZINC000257210760 190012608 /nfs/dbraw/zinc/01/26/08/190012608.db2.gz BWBDQCSIGNYLEP-AWEZNQCLSA-N 1 0 292.386 3.023 40 0 CGABRO Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3cccs3)C2)n1 ZINC000257254969 190020974 /nfs/dbraw/zinc/02/09/74/190020974.db2.gz KFNUVPBWFUJSBJ-CYBMUJFWSA-N 1 0 273.405 3.144 40 0 CGABRO Cc1cc(-c2cc(C[C@H]3CCC[N@@H+](C(C)C)C3)ccn2)n[nH]1 ZINC000257266080 190023273 /nfs/dbraw/zinc/02/32/73/190023273.db2.gz MBLRHIJDIKNVEP-MRXNPFEDSA-N 1 0 298.434 3.443 40 0 CGABRO C[C@@H]([NH3+])COc1cccc(F)c1Oc1ccccc1 ZINC000257266203 190023349 /nfs/dbraw/zinc/02/33/49/190023349.db2.gz MBZLICYPYWEFNQ-LLVKDONJSA-N 1 0 261.296 3.344 40 0 CGABRO Cc1csc(-c2cc(C[C@H]3CCC[NH2+]C3)ccn2)n1 ZINC000257270687 190023922 /nfs/dbraw/zinc/02/39/22/190023922.db2.gz MVGFLMLLQUFXFW-CYBMUJFWSA-N 1 0 273.405 3.056 40 0 CGABRO Cc1cnc(Nc2cccc(C[C@H]3CCC[NH2+]C3)n2)s1 ZINC000257290876 190028093 /nfs/dbraw/zinc/02/80/93/190028093.db2.gz QERMOSOZKLAHBG-GFCCVEGCSA-N 1 0 288.420 3.132 40 0 CGABRO Fc1cccc(N[C@H]2CC[NH2+]C[C@H]2Cc2ccccc2)c1 ZINC000257295642 190028287 /nfs/dbraw/zinc/02/82/87/190028287.db2.gz QZGSVCXDIKKWIB-QAPCUYQASA-N 1 0 284.378 3.458 40 0 CGABRO COc1ccccc1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000257318161 190032579 /nfs/dbraw/zinc/03/25/79/190032579.db2.gz VMSWCVFCLDGABF-CYBMUJFWSA-N 1 0 288.416 3.216 40 0 CGABRO c1coc(C[NH2+]Cc2ccc(Cc3ccco3)[nH]2)c1 ZINC000226021148 376338495 /nfs/dbraw/zinc/33/84/95/376338495.db2.gz ISHOQULUHAJZNT-UHFFFAOYSA-N 1 0 256.305 3.081 40 0 CGABRO CCn1c(C)ccc1C[NH2+]Cc1ccc(OC)cc1 ZINC000226019227 376338886 /nfs/dbraw/zinc/33/88/86/376338886.db2.gz KHCYXSXVQIVSLH-UHFFFAOYSA-N 1 0 258.365 3.115 40 0 CGABRO COCC[NH2+][C@H](C)c1ccc(OC2CCCC2)cc1 ZINC000225169622 376296850 /nfs/dbraw/zinc/29/68/50/376296850.db2.gz IHQXSSYJPQBXJF-CYBMUJFWSA-N 1 0 263.381 3.305 40 0 CGABRO CC[C@H](C)Oc1ccc([C@H](C)[NH2+]CCOC)cc1 ZINC000225169790 376297246 /nfs/dbraw/zinc/29/72/46/376297246.db2.gz PEMSCOJQOXXGFM-STQMWFEESA-N 1 0 251.370 3.161 40 0 CGABRO CC[C@@H](C)Oc1cccc([C@H](C)[NH2+]CCOC)c1 ZINC000225166499 376297563 /nfs/dbraw/zinc/29/75/63/376297563.db2.gz WGJOCJASYBSMEE-OLZOCXBDSA-N 1 0 251.370 3.161 40 0 CGABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccco3)C[C@@H]12 ZINC000248079709 377265687 /nfs/dbraw/zinc/26/56/87/377265687.db2.gz ACSZNQVPNYRNTG-RTBURBONSA-N 1 0 296.414 3.127 40 0 CGABRO CC[NH+](CC)CCNc1cc(OC)c(C)c2cccnc12 ZINC000001591901 169720531 /nfs/dbraw/zinc/72/05/31/169720531.db2.gz ZFEWHWXSMVGEFO-UHFFFAOYSA-N 1 0 287.407 3.306 40 0 CGABRO CCN(C)c1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000072212719 392198474 /nfs/dbraw/zinc/19/84/74/392198474.db2.gz ANWWBWWRLUAXCM-HNNXBMFYSA-N 1 0 261.413 3.331 40 0 CGABRO Cc1cc([C@@H]2CCCC[N@H+]2C)cnc1N1CCCC1 ZINC000072218814 392199989 /nfs/dbraw/zinc/19/99/89/392199989.db2.gz HTWDJDNYYMJXDO-HNNXBMFYSA-N 1 0 259.397 3.147 40 0 CGABRO CC[C@H]([NH3+])c1cnc(N2CCc3ccccc3C2)c(C)c1 ZINC000072222853 392201349 /nfs/dbraw/zinc/20/13/49/392201349.db2.gz WGKKAWLJDCWQOG-KRWDZBQOSA-N 1 0 281.403 3.363 40 0 CGABRO Cc1cc(N(C)Cc2ccccc2)ncc1[C@@H](C)[NH3+] ZINC000072223401 392202946 /nfs/dbraw/zinc/20/29/46/392202946.db2.gz UHWNKYWEROBDHF-CYBMUJFWSA-N 1 0 255.365 3.046 40 0 CGABRO C[C@H]([NH3+])c1cccc2c1ccn2C(=O)OC(C)(C)C ZINC000096509791 392256613 /nfs/dbraw/zinc/25/66/13/392256613.db2.gz WJJHTPBZQFPFOZ-JTQLQIEISA-N 1 0 260.337 3.444 40 0 CGABRO CC(C)[NH2+][C@H]1CCN(C)Cc2ccc(Cl)cc21 ZINC000096510455 392257858 /nfs/dbraw/zinc/25/78/58/392257858.db2.gz MTNYLGNORUWNLE-AWEZNQCLSA-N 1 0 252.789 3.215 40 0 CGABRO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc2ccccc21 ZINC000096527844 392259185 /nfs/dbraw/zinc/25/91/85/392259185.db2.gz OQZCFQXRQRTQFW-HNNXBMFYSA-N 1 0 271.360 3.117 40 0 CGABRO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccc(Br)cc1 ZINC000218682008 392997594 /nfs/dbraw/zinc/99/75/94/392997594.db2.gz LGWGIPOIUMTYIC-NEPJUHHUSA-N 1 0 269.186 3.131 40 0 CGABRO CC(C)C[N@@H+]1CCC[C@H](c2cccc3nccn32)C1 ZINC000257220903 393135774 /nfs/dbraw/zinc/13/57/74/393135774.db2.gz DMSOQAFIXIIMGJ-AWEZNQCLSA-N 1 0 257.381 3.170 40 0 CGABRO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]([NH3+])C(C)(C)C ZINC000072208710 397640182 /nfs/dbraw/zinc/64/01/82/397640182.db2.gz VJANFPNTCOWLKL-RYUDHWBXSA-N 1 0 270.417 3.149 40 0 CGABRO COc1cc2c(cc1OC)[C@H](CC(C)C)[N@H+](C)CC2 ZINC000003848583 286260524 /nfs/dbraw/zinc/26/05/24/286260524.db2.gz XLYGKISSKFHOEE-AWEZNQCLSA-N 1 0 263.381 3.279 40 0 CGABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH+](CC)CC ZINC000002694475 286814400 /nfs/dbraw/zinc/81/44/00/286814400.db2.gz ILZNGEAPOFFSCE-CABCVRRESA-N 1 0 279.424 3.282 40 0 CGABRO Cc1ccccc1C[NH2+]CCCSc1ncccn1 ZINC000004984178 170049011 /nfs/dbraw/zinc/04/90/11/170049011.db2.gz HHDDRLUYKJNYEU-UHFFFAOYSA-N 1 0 273.405 3.057 40 0 CGABRO O=C(Cc1ccccc1)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005682319 170127953 /nfs/dbraw/zinc/12/79/53/170127953.db2.gz ANRKBSNCMOEINP-IAGOWNOFSA-N 1 0 287.403 3.037 40 0 biogenic,in-vitro CGABRO O=C(Cc1ccccc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000005999050 170166628 /nfs/dbraw/zinc/16/66/28/170166628.db2.gz WJZDRXSVVALLEX-UHFFFAOYSA-N 1 0 294.398 3.464 40 0 CGABRO CC[NH+](CC)CCOc1ccc(C[C@@H](C)C(C)=O)cc1 ZINC000006382322 170196962 /nfs/dbraw/zinc/19/69/62/170196962.db2.gz JBZWUASHZOMEFL-CQSZACIVSA-N 1 0 277.408 3.175 40 0 CGABRO COC(=O)C[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000006482274 170205100 /nfs/dbraw/zinc/20/51/00/170205100.db2.gz PEXABBMNOLTVOG-AWEZNQCLSA-N 1 0 281.783 3.430 40 0 CGABRO [NH3+]CCc1c2cc(Cl)ccc2[nH]c1-c1ccccn1 ZINC000006732123 170235980 /nfs/dbraw/zinc/23/59/80/170235980.db2.gz CFNIAHRASUWQQO-UHFFFAOYSA-N 1 0 271.751 3.385 40 0 CGABRO [NH3+]CCc1c2cc(Cl)ccc2[nH]c1-c1ccncc1 ZINC000006732131 170236252 /nfs/dbraw/zinc/23/62/52/170236252.db2.gz JNQNCAUXNNYOFA-UHFFFAOYSA-N 1 0 271.751 3.385 40 0 CGABRO C[NH+](C)C[C@@H](O)C12C[C@@H]3C[C@@H](CC(c4ccccc4)(C3)C1)C2 ZINC000016778703 170712289 /nfs/dbraw/zinc/71/22/89/170712289.db2.gz NIRBDHSDDLHSCH-ZUIZHIFYSA-N 1 0 299.458 3.447 40 0 CGABRO Cc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1 ZINC000035289203 172106141 /nfs/dbraw/zinc/10/61/41/172106141.db2.gz FCONMNQDMCRZQI-UHFFFAOYSA-N 1 0 265.360 3.204 40 0 CGABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)c(C)c1 ZINC000057288877 175590684 /nfs/dbraw/zinc/59/06/84/175590684.db2.gz WSBGCIQQCOYACT-UHFFFAOYSA-N 1 0 288.435 3.299 40 0 CGABRO COc1ccccc1-c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072348385 176373146 /nfs/dbraw/zinc/37/31/46/176373146.db2.gz RLTADPXQOXMLAZ-CYBMUJFWSA-N 1 0 268.360 3.224 40 0 CGABRO c1ccc(Cc2cccc(C3CC[NH2+]CC3)n2)cc1 ZINC000072356407 176375422 /nfs/dbraw/zinc/37/54/22/176375422.db2.gz NPDBYDGNILABSI-UHFFFAOYSA-N 1 0 252.361 3.139 40 0 CGABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3cnccn3)C2)cc1F ZINC000072369372 176384189 /nfs/dbraw/zinc/38/41/89/176384189.db2.gz UQJPUJQECLTKLU-ZDUSSCGKSA-N 1 0 289.329 3.134 40 0 CGABRO Cc1cc(C)nc(Nc2ccc([C@@H]3CCCC[NH2+]3)cn2)n1 ZINC000072376700 176384987 /nfs/dbraw/zinc/38/49/87/176384987.db2.gz RFLPSKSPJWHBGC-AWEZNQCLSA-N 1 0 283.379 3.047 40 0 CGABRO Cc1cncc([C@@H]2CCC[N@H+](CCOc3ccccc3)C2)n1 ZINC000072385393 176389794 /nfs/dbraw/zinc/38/97/94/176389794.db2.gz HIJZZJWFYADRJD-MRXNPFEDSA-N 1 0 297.402 3.043 40 0 CGABRO CC(C)[NH2+]C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079437246 177490328 /nfs/dbraw/zinc/49/03/28/177490328.db2.gz UCBZLXRRPOSCJK-UHFFFAOYSA-N 1 0 290.407 3.222 40 0 CGABRO CO[C@H]1CC[N@H+](Cc2cccc3ccccc32)[C@H]2CCO[C@@H]21 ZINC000096215830 274080514 /nfs/dbraw/zinc/08/05/14/274080514.db2.gz JZVDREQPBACFHY-FHWLQOOXSA-N 1 0 297.398 3.218 40 0 CGABRO CC[NH+](CC)C[C@H](O)c1c(OC)ccc2ccccc21 ZINC000001706291 276108904 /nfs/dbraw/zinc/10/89/04/276108904.db2.gz GYMIPMSSKSUEAZ-HNNXBMFYSA-N 1 0 273.376 3.224 40 0 CGABRO C[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000006481892 277299059 /nfs/dbraw/zinc/29/90/59/277299059.db2.gz SKGVDOBLIRESNQ-QGZVFWFLSA-N 1 0 271.360 3.207 40 0 CGABRO COc1cc2c3c(c1OC)-c1ccccc1C[C@@H]3[NH2+]CC2 ZINC000026980973 277856558 /nfs/dbraw/zinc/85/65/58/277856558.db2.gz QQKAHDMMPBQDAC-AWEZNQCLSA-N 1 0 281.355 3.114 40 0 biogenic,in-vitro CGABRO CCCC[C@@H](CC)[C@@H]1OC[C@H](C[NH+]2CCCC2)O1 ZINC000004124581 278722509 /nfs/dbraw/zinc/72/25/09/278722509.db2.gz YGCPCVLTZNXDDJ-QLFBSQMISA-N 1 0 255.402 3.040 40 0 CGABRO CN1[C@@H]2CCCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257280484 290316617 /nfs/dbraw/zinc/31/66/17/290316617.db2.gz OLBMUNVNIUFADC-FKSLSLAPSA-N 1 0 284.447 3.223 40 0 CGABRO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257328257 301034265 /nfs/dbraw/zinc/03/42/65/301034265.db2.gz XEWGOVCXIFHAPS-OAHLLOKOSA-N 1 0 297.406 3.255 40 0 CGABRO O=C1Nc2ccccc2C12CC[NH+](Cc1cccs1)CC2 ZINC000096052472 185073903 /nfs/dbraw/zinc/07/39/03/185073903.db2.gz XWVMPIVTZRUCHZ-UHFFFAOYSA-N 1 0 298.411 3.234 40 0 CGABRO CC[C@@H]1[N@H+](Cc2ccc(C)s2)CCC[C@]12CCC(=O)N2 ZINC000096052395 185074907 /nfs/dbraw/zinc/07/49/07/185074907.db2.gz OXZGFXMLPYRBOA-HOCLYGCPSA-N 1 0 292.448 3.080 40 0 CGABRO CC(C)[C@H]1COC2(C1)CC[NH+](Cc1ccncc1F)CC2 ZINC000096072970 185087796 /nfs/dbraw/zinc/08/77/96/185087796.db2.gz CLNPOIXXVKSDCH-OAHLLOKOSA-N 1 0 292.398 3.248 40 0 CGABRO CC[NH+](CC)CCCNc1cc(O)cc2cccnc21 ZINC000001873623 344856328 /nfs/dbraw/zinc/85/63/28/344856328.db2.gz GKEZTOANAUGURO-UHFFFAOYSA-N 1 0 273.380 3.084 40 0 CGABRO CC(C)N1C[C@@]2(CCC[N@@H+]([C@H](C)c3ccccc3)C2)C1=O ZINC000585099442 346724235 /nfs/dbraw/zinc/72/42/35/346724235.db2.gz JNQCJPAYAYGKAR-QAPCUYQASA-N 1 0 286.419 3.080 40 0 CGABRO COCC[C@H]1CCOC12CC[NH+](Cc1cccs1)CC2 ZINC000585103445 346724274 /nfs/dbraw/zinc/72/42/74/346724274.db2.gz WIUJSUYTNFFUGX-AWEZNQCLSA-N 1 0 295.448 3.156 40 0 CGABRO COCC[C@H]1Cn2cccc2C[N@H+](Cc2ccsc2)C1 ZINC000585094666 346724456 /nfs/dbraw/zinc/72/44/56/346724456.db2.gz VQCXPAFUUVJXDH-CQSZACIVSA-N 1 0 290.432 3.218 40 0 CGABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585177454 346725744 /nfs/dbraw/zinc/72/57/44/346725744.db2.gz PVJOJDVNAGPKHI-OAHLLOKOSA-N 1 0 280.375 3.189 40 0 CGABRO [NH3+][C@H]1CCCC[C@@H]1Nc1ccc(Br)cc1 ZINC000218682072 283622062 /nfs/dbraw/zinc/62/20/62/283622062.db2.gz LGWGIPOIUMTYIC-RYUDHWBXSA-N 1 0 269.186 3.131 40 0 CGABRO C[C@H](CC(O)(c1cccs1)c1cccs1)[NH+](C)C ZINC000001700293 368433067 /nfs/dbraw/zinc/43/30/67/368433067.db2.gz KUYLKQQSZDJZSA-LLVKDONJSA-N 1 0 281.446 3.386 40 0 CGABRO Cc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccc(F)cc3)cc2c1 ZINC000004132765 368532697 /nfs/dbraw/zinc/53/26/97/368532697.db2.gz DMKGUEQGMLYGEU-UHFFFAOYSA-N 1 0 296.345 3.265 40 0 CGABRO CCCCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010335032 368580036 /nfs/dbraw/zinc/58/00/36/368580036.db2.gz ONPLGFRRZDLAIJ-UHFFFAOYSA-N 1 0 274.408 3.202 40 0 CGABRO Cc1cc(C)cc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000012169929 368605093 /nfs/dbraw/zinc/60/50/93/368605093.db2.gz JGRVELMYSIWKMD-YESZJQIVSA-N 1 0 291.435 3.021 40 0 CGABRO OCCC[N@H+](Cc1ccncc1)Cc1cccc(Cl)c1 ZINC000013568174 368656948 /nfs/dbraw/zinc/65/69/48/368656948.db2.gz FDIPJAGXSFFMHG-UHFFFAOYSA-N 1 0 290.794 3.120 40 0 CGABRO Cc1cc(C)c(C(=O)CCCSC(N)=[NH2+])c(C)c1 ZINC000017159896 368728075 /nfs/dbraw/zinc/72/80/75/368728075.db2.gz MLLIRIKXEOLNFC-UHFFFAOYSA-N 1 0 264.394 3.201 40 0 CGABRO C[C@H]1CCCN([C@@H](C[NH3+])c2ccccc2Br)C1 ZINC000019471584 368754487 /nfs/dbraw/zinc/75/44/87/368754487.db2.gz IBLBHSHLRDRWHD-FZMZJTMJSA-N 1 0 297.240 3.181 40 0 CGABRO CC[C@H](C)[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000020085653 368797816 /nfs/dbraw/zinc/79/78/16/368797816.db2.gz AXBMHYBPDIGFFX-LBPRGKRZSA-N 1 0 251.370 3.371 40 0 CGABRO Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1C ZINC000026780462 368863646 /nfs/dbraw/zinc/86/36/46/368863646.db2.gz BISBEBJIEHXHHW-KRWDZBQOSA-N 1 0 291.435 3.308 40 0 CGABRO NC(=[NH2+])CCN(Cc1ccccc1)Cc1ccccc1 ZINC000026898006 368866347 /nfs/dbraw/zinc/86/63/47/368866347.db2.gz BVLGQTLZRPSFMG-UHFFFAOYSA-N 1 0 267.376 3.015 40 0 CGABRO O=C(NC1CCCCC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000027979504 368879551 /nfs/dbraw/zinc/87/95/51/368879551.db2.gz SPYDAKOQGJPCFM-UHFFFAOYSA-N 1 0 290.407 3.328 40 0 CGABRO Cc1ccc(OCC[C@H](O)C[NH+]2CCC(C)CC2)cc1C ZINC000028295335 368885128 /nfs/dbraw/zinc/88/51/28/368885128.db2.gz CXJUNMDUSOQKQP-KRWDZBQOSA-N 1 0 291.435 3.165 40 0 CGABRO Clc1ccc(COC[C@H]2CCC[NH2+]2)cc1Cl ZINC000051816483 369454454 /nfs/dbraw/zinc/45/44/54/369454454.db2.gz OYXDNXLHCKNEGG-SNVBAGLBSA-N 1 0 260.164 3.262 40 0 CGABRO CC[C@H](C)Oc1ccccc1C[NH2+]C[C@H]1CCCO1 ZINC000066115695 369688777 /nfs/dbraw/zinc/68/87/77/369688777.db2.gz BUTNOOXYCKSCCH-DZGCQCFKSA-N 1 0 263.381 3.133 40 0 CGABRO C[N@@H+]1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358361 369817681 /nfs/dbraw/zinc/81/76/81/369817681.db2.gz IQZMCBJYRVGMQV-CYBMUJFWSA-N 1 0 271.339 3.092 40 0 CGABRO Cc1ccc(Cl)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000074921007 369890748 /nfs/dbraw/zinc/89/07/48/369890748.db2.gz POFQENNDSMITLR-UHFFFAOYSA-N 1 0 280.799 3.319 40 0 CGABRO COc1c(C)cc(C2(O)CC[NH+](C(C)C)CC2)cc1C ZINC000079030415 369960196 /nfs/dbraw/zinc/96/01/96/369960196.db2.gz RBRDYHRQPPXAME-UHFFFAOYSA-N 1 0 277.408 3.004 40 0 CGABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000082337875 370002750 /nfs/dbraw/zinc/00/27/50/370002750.db2.gz HHUIMFXANRBIGA-SECBINFHSA-N 1 0 287.190 3.274 40 0 CGABRO Cc1cc(Br)cnc1C[C@H]([NH3+])c1ccccc1 ZINC000094051732 370165466 /nfs/dbraw/zinc/16/54/66/370165466.db2.gz DEVUTHFBRICPNN-ZDUSSCGKSA-N 1 0 291.192 3.395 40 0 CGABRO CC(C)[N@@H+]1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC000096189518 370207300 /nfs/dbraw/zinc/20/73/00/370207300.db2.gz AMGXADFTJMLWPT-UHFFFAOYSA-N 1 0 299.418 3.073 40 0 CGABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291023053 372095853 /nfs/dbraw/zinc/09/58/53/372095853.db2.gz AODZXFUBOLKFRH-GLNPCMGASA-N 1 0 281.346 3.039 40 0 CGABRO CCOc1ccc(C[NH2+]Cc2cnn(CC(C)C)c2)cc1 ZINC000256053656 190005051 /nfs/dbraw/zinc/00/50/51/190005051.db2.gz SHHNQIMGLMPONW-UHFFFAOYSA-N 1 0 287.407 3.228 40 0 CGABRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000256051141 190003437 /nfs/dbraw/zinc/00/34/37/190003437.db2.gz HXHPXQARSSANTL-UHFFFAOYSA-N 1 0 261.344 3.201 40 0 CGABRO Cc1ccc(Oc2nccnc2C2CC[NH2+]CC2)cc1 ZINC000257197642 190009897 /nfs/dbraw/zinc/00/98/97/190009897.db2.gz FNAHPHYUVGIJAJ-UHFFFAOYSA-N 1 0 269.348 3.044 40 0 CGABRO CNc1nccc([C@H]2CCCC[N@@H+]2Cc2cccs2)n1 ZINC000257243995 190019285 /nfs/dbraw/zinc/01/92/85/190019285.db2.gz IJLJIMQUBVJEQF-CQSZACIVSA-N 1 0 288.420 3.307 40 0 CGABRO Fc1ccccc1Cc1cnc([C@@H]2CCCC[NH2+]2)o1 ZINC000257251307 190020132 /nfs/dbraw/zinc/02/01/32/190020132.db2.gz JQFDJAOPZCLRCR-AWEZNQCLSA-N 1 0 260.312 3.219 40 0 CGABRO [NH3+][C@@H]1CCC[C@@H](Nc2ccccc2Oc2ccccc2)[C@@H]1O ZINC000257261610 190022612 /nfs/dbraw/zinc/02/26/12/190022612.db2.gz LIBWCKVXPXZMRK-QGPMSJSTSA-N 1 0 298.386 3.132 40 0 CGABRO CC(C)n1nccc1-c1cc(C[C@H]2CCC[NH2+]C2)ccn1 ZINC000257261462 190022662 /nfs/dbraw/zinc/02/26/62/190022662.db2.gz LHKIMGZOVJGDSL-OAHLLOKOSA-N 1 0 284.407 3.068 40 0 CGABRO Cc1cnc(C2(C)CC[NH+](CC3CCOCC3)CC2)s1 ZINC000257287372 190027079 /nfs/dbraw/zinc/02/70/79/190027079.db2.gz PPQGHHJVVPNOQX-UHFFFAOYSA-N 1 0 294.464 3.232 40 0 CGABRO Cc1cc(-c2cccc([C@@H]3CCC[N@@H+](C(C)C)C3)n2)n[nH]1 ZINC000257302038 190030715 /nfs/dbraw/zinc/03/07/15/190030715.db2.gz SBDWNGFEKGPIRG-CQSZACIVSA-N 1 0 284.407 3.368 40 0 CGABRO Cc1cc(C)nc(Nc2cccc(C3CC[NH+](C)CC3)n2)n1 ZINC000257328236 190034584 /nfs/dbraw/zinc/03/45/84/190034584.db2.gz XETKCDHJUCLTIA-UHFFFAOYSA-N 1 0 297.406 3.041 40 0 CGABRO Cc1ccc(Cc2cc(C3CC[NH2+]CC3)nc(C)n2)cc1 ZINC000257341464 190036735 /nfs/dbraw/zinc/03/67/35/190036735.db2.gz ZKKZFDKELOOMGM-UHFFFAOYSA-N 1 0 281.403 3.151 40 0 CGABRO CC(C)[NH+]1CCC(Cc2cccc(-c3ccnn3C)n2)CC1 ZINC000257339720 190037141 /nfs/dbraw/zinc/03/71/41/190037141.db2.gz ZCXMKNNSDASCRT-UHFFFAOYSA-N 1 0 298.434 3.145 40 0 CGABRO [NH3+]CCCNc1ccnc2c(Cl)cc(Cl)cc12 ZINC000222680600 376240746 /nfs/dbraw/zinc/24/07/46/376240746.db2.gz SRSKNEMSKFHKJP-UHFFFAOYSA-N 1 0 270.163 3.302 40 0 CGABRO COCCC[NH2+]Cc1ccn([C@H](C)c2ccccc2)c1 ZINC000223695169 376260473 /nfs/dbraw/zinc/26/04/73/376260473.db2.gz CTXBPERBWAUCRI-OAHLLOKOSA-N 1 0 272.392 3.224 40 0 CGABRO Cc1cc(-c2cc(C)nc([C@H]3CCCC[N@H+]3C(C)C)n2)n[nH]1 ZINC000257343641 377794994 /nfs/dbraw/zinc/79/49/94/377794994.db2.gz ZTVMCANJNXOODH-MRXNPFEDSA-N 1 0 299.422 3.419 40 0 CGABRO Fc1ccc(-c2nccnc2C[C@H]2CCC[NH2+]CC2)cc1 ZINC000257279345 377796717 /nfs/dbraw/zinc/79/67/17/377796717.db2.gz OGEFRGTVVXORNU-ZDUSSCGKSA-N 1 0 285.366 3.215 40 0 CGABRO CC1CCC2(CC1)CCN(CCC[NH+](C)C)CC2 ZINC000001698933 391913422 /nfs/dbraw/zinc/91/34/22/391913422.db2.gz FMMRMWJPNUTOMH-UHFFFAOYSA-N 1 0 252.446 3.230 40 0 CGABRO CC[C@@]12CC[C@@H](O)[C@@H]1[N@H+](C)CC[C@@H]2Sc1ccccc1 ZINC000005808192 391925514 /nfs/dbraw/zinc/92/55/14/391925514.db2.gz KXKOAQZKAXUINI-QZWWFDLISA-N 1 0 291.460 3.403 40 0 CGABRO [NH3+][C@H](COCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000020264024 391940171 /nfs/dbraw/zinc/94/01/71/391940171.db2.gz IDPUFXPEPXQSEY-GFCCVEGCSA-N 1 0 259.271 3.132 40 0 CGABRO CSc1ncc(C[NH2+][C@@H](C)CCc2ccccc2)cn1 ZINC000062717257 392133227 /nfs/dbraw/zinc/13/32/27/392133227.db2.gz ONONDBGTCKQEAD-ZDUSSCGKSA-N 1 0 287.432 3.309 40 0 CGABRO CNc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072212526 392197495 /nfs/dbraw/zinc/19/74/95/392197495.db2.gz CEVNGCRQIWKGSU-MRXNPFEDSA-N 1 0 267.376 3.460 40 0 CGABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215982 392200640 /nfs/dbraw/zinc/20/06/40/392200640.db2.gz BHOPRJPFQJPFAT-HNNXBMFYSA-N 1 0 259.397 3.227 40 0 CGABRO Cc1nc(N2CC[NH+](C)CC2)ccc1SC(C)(C)C ZINC000072224660 392204234 /nfs/dbraw/zinc/20/42/34/392204234.db2.gz VEUBDQQYSQGTRS-UHFFFAOYSA-N 1 0 279.453 3.032 40 0 CGABRO CC[C@@H](c1ccccc1)N(C(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000079418743 392220791 /nfs/dbraw/zinc/22/07/91/392220791.db2.gz QQCFCPRAFRZOIS-HOTGVXAUSA-N 1 0 276.424 3.358 40 0 CGABRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](CC3CC3)C2)C1=O ZINC000096100313 392245556 /nfs/dbraw/zinc/24/55/56/392245556.db2.gz MWUIETMEXGNTRC-IBGZPJMESA-N 1 0 298.430 3.043 40 0 CGABRO C[N@@H+]1CCC[C@@H]1COCc1cccc(Br)c1 ZINC000096525813 392257515 /nfs/dbraw/zinc/25/75/15/392257515.db2.gz TXHQMYPZWWEMRS-CYBMUJFWSA-N 1 0 284.197 3.060 40 0 CGABRO CC(C)(C)OC(=O)n1ccc2cccc(C3([NH3+])CC3)c21 ZINC000575628881 542763986 /nfs/dbraw/zinc/76/39/86/542763986.db2.gz FNMIKIGLOWCHSI-UHFFFAOYSA-N 1 0 272.348 3.372 40 0 CGABRO C[C@H](Cc1ccccc1)[N@H+](C)C[C@H]1C(=O)[C@H]2CC[C@@H]1C2 ZINC000005048634 170060830 /nfs/dbraw/zinc/06/08/30/170060830.db2.gz GSYMIHNIKDTMFJ-MXASKKJJSA-N 1 0 271.404 3.165 40 0 CGABRO CCCCC[C@@H](C)[NH2+]CCOC(=O)c1ccccc1 ZINC000005550821 170112542 /nfs/dbraw/zinc/11/25/42/170112542.db2.gz CHTVGNQIZAXOHT-CQSZACIVSA-N 1 0 263.381 3.402 40 0 CGABRO CCCCC[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000007261293 170273885 /nfs/dbraw/zinc/27/38/85/170273885.db2.gz VVQPSNVKVNHZRZ-UHFFFAOYSA-N 1 0 251.370 3.374 40 0 CGABRO CCOc1ccc(C[NH2+][C@H](C)CC)cc1OCC ZINC000008325978 170331330 /nfs/dbraw/zinc/33/13/30/170331330.db2.gz MTXHBNNRUYDGMZ-GFCCVEGCSA-N 1 0 251.370 3.372 40 0 CGABRO S=C(NCC[NH+]1CCCCC1)Nc1ccccc1Cl ZINC000008380379 170334291 /nfs/dbraw/zinc/33/42/91/170334291.db2.gz XGDXNAZJRJLXHH-UHFFFAOYSA-N 1 0 297.855 3.112 40 0 CGABRO COCCC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000020142879 171028550 /nfs/dbraw/zinc/02/85/50/171028550.db2.gz INLMVGQFPJLFAP-CQSZACIVSA-N 1 0 265.397 3.409 40 0 CGABRO CC(C)C[C@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441121 173210070 /nfs/dbraw/zinc/21/00/70/173210070.db2.gz WKHWVBBIIZLYIH-VIFPVBQESA-N 1 0 282.185 3.371 40 0 CGABRO COC[C@@]12C[C@]1(c1ccc(Cl)c(Cl)c1)CC[NH2+]C2 ZINC000053243925 175544894 /nfs/dbraw/zinc/54/48/94/175544894.db2.gz ICXJGCSEMJXNQF-KBPBESRZSA-N 1 0 286.202 3.261 40 0 CGABRO Clc1ccc(CNC[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000072203656 176341362 /nfs/dbraw/zinc/34/13/62/176341362.db2.gz BRYNZNMTVPHSCC-NSHDSACASA-N 1 0 273.207 3.225 40 0 CGABRO Clc1cccc(Cl)c1CNC[C@H]1CCCC[NH2+]1 ZINC000072203700 176342091 /nfs/dbraw/zinc/34/20/91/176342091.db2.gz ZLWWWEAWBFSUIE-SNVBAGLBSA-N 1 0 273.207 3.225 40 0 CGABRO Cc1c[nH]nc1C1CC[NH+](CCc2ccccc2)CC1 ZINC000072363736 176378398 /nfs/dbraw/zinc/37/83/98/176378398.db2.gz DNHDNRYJBULRTC-UHFFFAOYSA-N 1 0 269.392 3.140 40 0 CGABRO COc1ccccc1-c1nccnc1C[C@H]1CCC[NH2+]CC1 ZINC000072365108 176380253 /nfs/dbraw/zinc/38/02/53/176380253.db2.gz SNVLCEFNWMRRGK-AWEZNQCLSA-N 1 0 297.402 3.084 40 0 CGABRO Cc1ccc(Cc2cc(C)nc(C3CC[NH2+]CC3)n2)cc1 ZINC000072365186 176380469 /nfs/dbraw/zinc/38/04/69/176380469.db2.gz BXKXNKYRJBLPPM-UHFFFAOYSA-N 1 0 281.403 3.151 40 0 CGABRO CC(C)c1nccn1-c1cccc(C2CC[NH+](C)CC2)n1 ZINC000072378670 176386077 /nfs/dbraw/zinc/38/60/77/176386077.db2.gz ARHIDINSVNDHOZ-UHFFFAOYSA-N 1 0 284.407 3.200 40 0 CGABRO Cc1cccc(C[N@@H+]2CCC[C@H](Cc3ccccn3)C2)n1 ZINC000072385806 176390643 /nfs/dbraw/zinc/39/06/43/176390643.db2.gz VRCTUQZEIJFFRV-MRXNPFEDSA-N 1 0 281.403 3.240 40 0 CGABRO COc1ccc(-c2cc([C@H]3CCC[NH2+]C3)ccn2)cc1 ZINC000072386816 176392383 /nfs/dbraw/zinc/39/23/83/176392383.db2.gz IYYUUUKZNZGYDP-HNNXBMFYSA-N 1 0 268.360 3.224 40 0 CGABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000043323665 277184328 /nfs/dbraw/zinc/18/43/28/277184328.db2.gz ZXCOFYZBOCNPPS-CQSZACIVSA-N 1 0 282.428 3.308 40 0 CGABRO CC(C)(C)OC(=O)N1CC[C@]2(CCC[NH2+]2)c2ccccc21 ZINC000521396063 277194031 /nfs/dbraw/zinc/19/40/31/277194031.db2.gz PJIWYCJOMBTJBX-QGZVFWFLSA-N 1 0 288.391 3.411 40 0 CGABRO C[C@@H]([NH3+])c1ccc2ncc(Br)cc2c1 ZINC000032914917 278319119 /nfs/dbraw/zinc/31/91/19/278319119.db2.gz RBSRHKUMFVBXDC-SSDOTTSWSA-N 1 0 251.127 3.017 40 0 CGABRO [NH3+]C[C@H](c1cccc(Cl)c1Cl)N1CCCC1 ZINC000019511686 295264485 /nfs/dbraw/zinc/26/44/85/295264485.db2.gz PWQNYCVVZIVXLA-LLVKDONJSA-N 1 0 259.180 3.089 40 0 CGABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1ccccc1Cl ZINC000073642211 295357597 /nfs/dbraw/zinc/35/75/97/295357597.db2.gz KCFKOYYZVUSJCI-UHFFFAOYSA-N 1 0 299.761 3.002 40 0 CGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC1CCCCC1 ZINC000225756774 567955082 /nfs/dbraw/zinc/95/50/82/567955082.db2.gz GFJKZIOTIAXNQX-MRXNPFEDSA-N 1 0 295.471 3.273 40 0 CGABRO