smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(F)C1=CC[NH+]=C(c2ccccc2)N1 ZINC001504245067 963644726 /nfs/dbraw/zinc/64/47/26/963644726.db2.gz RUUHFHILQMLUSZ-UHFFFAOYSA-N 1 1 226.201 2.483 40 0 BEABMO Cc1cc2cccnc2c(C[NH+]2CCOCC2)c1 ZINC000026511607 1170863397 /nfs/dbraw/zinc/86/33/97/1170863397.db2.gz XCUZXXRYKDMRBN-UHFFFAOYSA-N 1 1 242.322 2.375 40 0 BEABMO Cc1cc(Nc2cc(F)ccc2F)nc(N)[nH+]1 ZINC000107279678 178192539 /nfs/dbraw/zinc/19/25/39/178192539.db2.gz FRBBPBAEAUACGF-UHFFFAOYSA-N 1 1 236.225 2.389 40 0 BEABMO Cc1cc(=O)cc([C@@H]2CC[N@H+](C(C)C)C2)[nH]1 ZINC000072383189 178199821 /nfs/dbraw/zinc/19/98/21/178199821.db2.gz MZXVPKOHPVEWKP-LLVKDONJSA-N 1 1 220.316 2.293 40 0 BEABMO Cc1ccc(-c2noc([C@H](C)[NH3+])n2)cc1C ZINC000074110308 178343531 /nfs/dbraw/zinc/34/35/31/178343531.db2.gz XTTOJAALNMNILG-VIFPVBQESA-N 1 1 217.272 2.373 40 0 BEABMO OC[C@@H](c1c(F)cccc1F)[NH+]1CCCC1 ZINC000070452997 259313390 /nfs/dbraw/zinc/31/33/90/259313390.db2.gz UUBWECOHULPWKF-NSHDSACASA-N 1 1 227.254 2.094 40 0 BEABMO OC[C@H](c1c(F)cccc1F)[NH+]1CCCC1 ZINC000070452996 259313402 /nfs/dbraw/zinc/31/34/02/259313402.db2.gz UUBWECOHULPWKF-LLVKDONJSA-N 1 1 227.254 2.094 40 0 BEABMO C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000049633344 342673326 /nfs/dbraw/zinc/67/33/26/342673326.db2.gz UPTZXWDOZCFQJA-UHFFFAOYSA-N 1 1 234.126 2.418 40 0 BEABMO CNc1ncccc1[C@H]1CCCC[N@H+]1C ZINC000072212551 259317158 /nfs/dbraw/zinc/31/71/58/259317158.db2.gz HMFOOENVYROYNF-LLVKDONJSA-N 1 1 205.305 2.280 40 0 BEABMO Cc1nc(N)ccc1[C@@H]1CCCC[N@@H+]1C ZINC000072218574 259318278 /nfs/dbraw/zinc/31/82/78/259318278.db2.gz UEKDFUSKQWKHJN-NSHDSACASA-N 1 1 205.305 2.129 40 0 BEABMO C[N@H+]1CCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213764 259318337 /nfs/dbraw/zinc/31/83/37/259318337.db2.gz MGBUQNKEGUXJQF-LBPRGKRZSA-N 1 1 217.316 2.423 40 0 BEABMO C1CC[N@@H+]2C[C@H]3CCCN4CCC[C@@H]([C@H]34)[C@@H]2C1 ZINC000005085266 342757939 /nfs/dbraw/zinc/75/79/39/342757939.db2.gz UENROKUHQFYYJA-KBXIAJHMSA-N 1 1 234.387 2.345 40 0 BEABMO C1CC[N@H+]2C[C@H]3CCCN4CCC[C@@H]([C@H]34)[C@@H]2C1 ZINC000005085266 342757940 /nfs/dbraw/zinc/75/79/40/342757940.db2.gz UENROKUHQFYYJA-KBXIAJHMSA-N 1 1 234.387 2.345 40 0 BEABMO C1CCN2C[C@H]3CCC[N@@H+]4CCC[C@H]([C@@H]2C1)[C@H]34 ZINC000005085266 342757941 /nfs/dbraw/zinc/75/79/41/342757941.db2.gz UENROKUHQFYYJA-KBXIAJHMSA-N 1 1 234.387 2.345 40 0 BEABMO C1CCN2C[C@H]3CCC[N@H+]4CCC[C@H]([C@@H]2C1)[C@H]34 ZINC000005085266 342757942 /nfs/dbraw/zinc/75/79/42/342757942.db2.gz UENROKUHQFYYJA-KBXIAJHMSA-N 1 1 234.387 2.345 40 0 BEABMO CC[C@](C)(C(=O)OC)[N@H+]1CCC[C@H](C)C1 ZINC000035655765 342804557 /nfs/dbraw/zinc/80/45/57/342804557.db2.gz MGVMHLJMIWYJRP-CMPLNLGQSA-N 1 1 213.321 2.060 40 0 BEABMO Cc1[nH+]c(N2CCCCCC2)ccc1CO ZINC000072224564 259322110 /nfs/dbraw/zinc/32/21/10/259322110.db2.gz IUCBRBQJTQJAKI-UHFFFAOYSA-N 1 1 220.316 2.263 40 0 BEABMO CCN(CC)c1ccc([C@@H](C)O)c(C)[nH+]1 ZINC000072224302 259322134 /nfs/dbraw/zinc/32/21/34/259322134.db2.gz VNHXGGOIBVCLLQ-SNVBAGLBSA-N 1 1 208.305 2.290 40 0 BEABMO CCN(CC)CC[NH2+]Cc1ccsc1 ZINC000019919240 342963198 /nfs/dbraw/zinc/96/31/98/342963198.db2.gz NMPSAROCBKLULI-UHFFFAOYSA-N 1 1 212.362 2.180 40 0 BEABMO C[C@@H](C[NH+]1CCCC1)NCc1ccccc1 ZINC000022073588 343039627 /nfs/dbraw/zinc/03/96/27/343039627.db2.gz STPNJXDWCNEGFA-ZDUSSCGKSA-N 1 1 218.344 2.261 40 0 BEABMO C1COC(N[C@H]2CCC[C@H]3CCCC[C@H]32)=[NH+]1 ZINC000005189997 187247756 /nfs/dbraw/zinc/24/77/56/187247756.db2.gz ARGKDOYQHZOQEK-UTUOFQBUSA-N 1 1 222.332 2.321 40 0 BEABMO O=C1CCC[C@@]2(c3ccccc3)[NH2+]CCCCN12 ZINC000035572427 343298559 /nfs/dbraw/zinc/29/85/59/343298559.db2.gz OWXBAYLITTYOKA-OAHLLOKOSA-N 1 1 244.338 2.235 40 0 BEABMO CN(C)[C@@H]1[C@@H]2CC[C@](C)([C@@H]1[NH+](C)C)C2(C)C ZINC000039738147 343392147 /nfs/dbraw/zinc/39/21/47/343392147.db2.gz WWHMPEUSLLXFGZ-FMCLSXCISA-N 1 1 224.392 2.303 40 0 BEABMO CC[NH+]1CCN(C(=O)c2cc(C)ccc2C)CC1 ZINC000046465709 343545721 /nfs/dbraw/zinc/54/57/21/343545721.db2.gz LZVVKWIXSMCVAU-UHFFFAOYSA-N 1 1 246.354 2.081 40 0 BEABMO CC(=O)c1c(N)sc2c1C[C@H]1CC[C@@H]2[N@H+]1C ZINC000083744562 343662716 /nfs/dbraw/zinc/66/27/16/343662716.db2.gz JVVYEWFPMWXSTB-APPZFPTMSA-N 1 1 236.340 2.224 40 0 BEABMO CC[NH+](CC)[C@@H](C)C(=O)c1ccc2c(c1)OCO2 ZINC000222378643 344421512 /nfs/dbraw/zinc/42/15/12/344421512.db2.gz DWARVNWIBRHVMQ-JTQLQIEISA-N 1 1 249.310 2.328 40 0 in-vitro BEABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000082321212 178742741 /nfs/dbraw/zinc/74/27/41/178742741.db2.gz HRTXGVAWGLKWRN-GFCCVEGCSA-N 1 1 232.327 2.275 40 0 BEABMO Cc1cccc(CC[N@@H+]2CCCC[C@@H]2CN)c1 ZINC000096523606 179056937 /nfs/dbraw/zinc/05/69/37/179056937.db2.gz PIGKZGZRKXKUST-OAHLLOKOSA-N 1 1 232.371 2.351 40 0 BEABMO Cc1cccc(CC[N@H+]2CCCC[C@@H]2CN)c1 ZINC000096523606 179056939 /nfs/dbraw/zinc/05/69/39/179056939.db2.gz PIGKZGZRKXKUST-OAHLLOKOSA-N 1 1 232.371 2.351 40 0 BEABMO Cc1cccc(C[N@H+]2CCC[C@H](O)C2)c1C ZINC000038539508 179077567 /nfs/dbraw/zinc/07/75/67/179077567.db2.gz AKTVBDGSHBIDJU-AWEZNQCLSA-N 1 1 219.328 2.260 40 0 BEABMO Cc1cccc([C@@H](CN)[NH+]2CCCCC2)c1 ZINC000038809138 179184004 /nfs/dbraw/zinc/18/40/04/179184004.db2.gz MUCTYFFCYRIBAA-CQSZACIVSA-N 1 1 218.344 2.481 40 0 BEABMO Cc1ccccc1-c1n[nH]c([C@@H]([NH3+])C(C)C)n1 ZINC000095534765 179238532 /nfs/dbraw/zinc/23/85/32/179238532.db2.gz DJTCDCZTZNLVCQ-NSHDSACASA-N 1 1 230.315 2.436 40 0 BEABMO Cc1ccccc1CC[N@@H+]1CCCC[C@H]1CN ZINC000096523605 179264018 /nfs/dbraw/zinc/26/40/18/179264018.db2.gz KTCQBOGFTLESBB-HNNXBMFYSA-N 1 1 232.371 2.351 40 0 BEABMO Cc1ccccc1CC[N@H+]1CCCC[C@H]1CN ZINC000096523605 179264020 /nfs/dbraw/zinc/26/40/20/179264020.db2.gz KTCQBOGFTLESBB-HNNXBMFYSA-N 1 1 232.371 2.351 40 0 BEABMO Cc1ccc(F)cc1C[N@H+]1CCC[C@H](O)C1 ZINC000038539894 348705162 /nfs/dbraw/zinc/70/51/62/348705162.db2.gz KGVBZRPUUVNUFK-ZDUSSCGKSA-N 1 1 223.291 2.091 40 0 BEABMO Cc1nc([C@@H]2CCCC[N@H+]2C)cc(N(C)C)n1 ZINC000072382317 180043349 /nfs/dbraw/zinc/04/33/49/180043349.db2.gz XGMMQXPZGQGAIZ-LBPRGKRZSA-N 1 1 234.347 2.008 40 0 BEABMO Cc1nc([C@@H]2CC[N@H+](C)C2)c2sccn12 ZINC000257327373 180044352 /nfs/dbraw/zinc/04/43/52/180044352.db2.gz XBBYBNKRGXZTQM-SECBINFHSA-N 1 1 221.329 2.123 40 0 BEABMO Cc1nccc([C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000072350798 180209119 /nfs/dbraw/zinc/20/91/19/180209119.db2.gz SEOHCZWTMQGHPF-ZDUSSCGKSA-N 1 1 231.343 2.374 40 0 BEABMO CC[N@H+]1CCC[C@@H](Cc2cnc(NC)cn2)CC1 ZINC000257262526 351042952 /nfs/dbraw/zinc/04/29/52/351042952.db2.gz LLTJCGYLUDPULC-GFCCVEGCSA-N 1 1 248.374 2.183 40 0 BEABMO CC(C)Cn1ccc(C[NH2+]Cc2cccn2C)n1 ZINC000256052229 188020779 /nfs/dbraw/zinc/02/07/79/188020779.db2.gz MLXHMBRWOPSSTG-UHFFFAOYSA-N 1 1 246.358 2.167 40 0 BEABMO CC(C)c1ccc([C@H](CN)[NH+](C)C)cc1 ZINC000019796042 353120657 /nfs/dbraw/zinc/12/06/57/353120657.db2.gz BSDWAFYGYONRKD-ZDUSSCGKSA-N 1 1 206.333 2.371 40 0 BEABMO C1CCC([N@H+]2CCN[C@@H]3CCCC[C@H]32)C1 ZINC000218827772 188251769 /nfs/dbraw/zinc/25/17/69/188251769.db2.gz ZWKJNDZNZSTNMG-CHWSQXEVSA-N 1 1 208.349 2.145 40 0 BEABMO CC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000001675930 188274304 /nfs/dbraw/zinc/27/43/04/188274304.db2.gz XNDPPXXLNZOULZ-UHFFFAOYSA-N 1 1 203.285 2.024 40 0 BEABMO C1CCN2C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]2C1 ZINC000054962088 188300474 /nfs/dbraw/zinc/30/04/74/188300474.db2.gz SLRCCWJSBJZJBV-KBXIAJHMSA-N 1 1 234.387 2.345 40 0 BEABMO C1CCN2C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]2C1 ZINC000054962088 188300476 /nfs/dbraw/zinc/30/04/76/188300476.db2.gz SLRCCWJSBJZJBV-KBXIAJHMSA-N 1 1 234.387 2.345 40 0 BEABMO CC(C)Cc1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000021520773 188354418 /nfs/dbraw/zinc/35/44/18/188354418.db2.gz OXTMARDYVKTESR-VIFPVBQESA-N 1 1 209.293 2.083 40 0 BEABMO Cc1ccc2[nH]c([C@H]3CC[N@H+](C)C3)nc2c1 ZINC000035446554 357242904 /nfs/dbraw/zinc/24/29/04/357242904.db2.gz MXVBUXPSTQBXIZ-JTQLQIEISA-N 1 1 215.300 2.290 40 0 biogenic,in-vitro BEABMO Cc1ccc2nc([C@H]3CC[N@@H+](C)C3)[nH]c2c1 ZINC000035446554 357242908 /nfs/dbraw/zinc/24/29/08/357242908.db2.gz MXVBUXPSTQBXIZ-JTQLQIEISA-N 1 1 215.300 2.290 40 0 biogenic,in-vitro BEABMO Cc1ccc2nc([C@H]3CC[N@H+](C)C3)[nH]c2c1 ZINC000035446554 357242911 /nfs/dbraw/zinc/24/29/11/357242911.db2.gz MXVBUXPSTQBXIZ-JTQLQIEISA-N 1 1 215.300 2.290 40 0 biogenic,in-vitro BEABMO CC[N@H+]1CCC[C@H]1c1ccc(N(C)C)nc1 ZINC000072212588 259525935 /nfs/dbraw/zinc/52/59/35/259525935.db2.gz QWHIRYRSSNOGCQ-LBPRGKRZSA-N 1 1 219.332 2.304 40 0 BEABMO Cc1cc([C@H]2CCC[N@@H+]2C)c[nH]c1=S ZINC000072218246 259528982 /nfs/dbraw/zinc/52/89/82/259528982.db2.gz XNYOUKMMXOSSOY-SNVBAGLBSA-N 1 1 208.330 2.445 40 0 BEABMO [NH3+]CC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000044511908 181364962 /nfs/dbraw/zinc/36/49/62/181364962.db2.gz XCMGSDDQOJHLMS-UHFFFAOYSA-N 1 1 240.297 2.136 40 0 BEABMO OCCOC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079390544 183085848 /nfs/dbraw/zinc/08/58/48/183085848.db2.gz ZSLPPTNIOXWNFI-HNNXBMFYSA-N 1 1 249.354 2.050 40 0 BEABMO O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000096311765 183198953 /nfs/dbraw/zinc/19/89/53/183198953.db2.gz ZAYOZGMHAWPBQH-SNVBAGLBSA-N 1 1 229.682 2.046 40 0 BEABMO O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000096311765 183198955 /nfs/dbraw/zinc/19/89/55/183198955.db2.gz ZAYOZGMHAWPBQH-SNVBAGLBSA-N 1 1 229.682 2.046 40 0 BEABMO CCCN(Cc1ccco1)C[C@H]1CCC[NH2+]C1 ZINC000096523667 169178660 /nfs/dbraw/zinc/17/86/60/169178660.db2.gz WBKDXHIFLJPJEK-ZDUSSCGKSA-N 1 1 236.359 2.491 40 0 BEABMO c1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n[nH]1 ZINC000072187763 183342076 /nfs/dbraw/zinc/34/20/76/183342076.db2.gz KGQVCDKEBFLIOC-ZDUSSCGKSA-N 1 1 242.326 2.184 40 0 BEABMO c1cc([C@H]2CCC[N@H+](Cc3cncs3)C2)n[nH]1 ZINC000121187296 183361852 /nfs/dbraw/zinc/36/18/52/183361852.db2.gz NDGZPNSUNNAHRK-JTQLQIEISA-N 1 1 248.355 2.246 40 0 BEABMO c1ccc(CN2CC[C@H](C[NH2+]C3CC3)C2)cc1 ZINC000034264451 383861787 /nfs/dbraw/zinc/86/17/87/383861787.db2.gz BMFDRCPVKBNLAA-CQSZACIVSA-N 1 1 230.355 2.261 40 0 BEABMO CCO[C@@H](C[NH+](C)C)C(Cl)(Cl)Cl ZINC000001557941 383906028 /nfs/dbraw/zinc/90/60/28/383906028.db2.gz FZCUAQVZBBAPEK-LURJTMIESA-N 1 1 234.554 2.323 40 0 BEABMO C[C@H]([NH2+]Cc1ccccc1)c1cc[nH]n1 ZINC000037906343 384040386 /nfs/dbraw/zinc/04/03/86/384040386.db2.gz KQGLAUZGLZGSGA-JTQLQIEISA-N 1 1 201.273 2.261 40 0 BEABMO NC[C@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000035677083 384089297 /nfs/dbraw/zinc/08/92/97/384089297.db2.gz NWFCYTZWYNFJAU-HNNXBMFYSA-N 1 1 242.322 2.224 40 0 BEABMO NC[C@@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000035677082 384089385 /nfs/dbraw/zinc/08/93/85/384089385.db2.gz NWFCYTZWYNFJAU-OAHLLOKOSA-N 1 1 242.322 2.224 40 0 BEABMO C[C@H]1[C@H]2CC[N@@H+](C)[C@@H]1Cc1ccc(O)cc12 ZINC000005766170 384130695 /nfs/dbraw/zinc/13/06/95/384130695.db2.gz SVPZRQDNNLAJMW-MRCXROJRSA-N 1 1 217.312 2.372 40 0 BEABMO NNc1[nH+]cnc2c3ccc(Cl)cc3[nH]c21 ZINC000408712466 384179510 /nfs/dbraw/zinc/17/95/10/384179510.db2.gz MHFHHICNJHPNDH-UHFFFAOYSA-N 1 1 233.662 2.050 40 0 BEABMO CNc1cc(C[C@H]2CCC[N@H+](C(C)C)C2)ncn1 ZINC000072356987 384209639 /nfs/dbraw/zinc/20/96/39/384209639.db2.gz ANCBIONJYYCODZ-GFCCVEGCSA-N 1 1 248.374 2.181 40 0 BEABMO Nc1nccc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072356810 384210785 /nfs/dbraw/zinc/21/07/85/384210785.db2.gz MHNAKIKPBDEVJU-GFCCVEGCSA-N 1 1 232.331 2.138 40 0 BEABMO Nc1nccc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072356809 384210876 /nfs/dbraw/zinc/21/08/76/384210876.db2.gz MHNAKIKPBDEVJU-LBPRGKRZSA-N 1 1 232.331 2.138 40 0 BEABMO Cc1c[nH]nc1[C@@H]1C[N@H+](C2CCCCC2)CCO1 ZINC000072381192 384217686 /nfs/dbraw/zinc/21/76/86/384217686.db2.gz YUBJCCKNWSOKGD-ZDUSSCGKSA-N 1 1 249.358 2.424 40 0 BEABMO CCN(CC)CC[NH2+]Cc1ccc(C)o1 ZINC000095188437 384365989 /nfs/dbraw/zinc/36/59/89/384365989.db2.gz URWVUYWMNPKDLX-UHFFFAOYSA-N 1 1 210.321 2.019 40 0 BEABMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000082321213 384665936 /nfs/dbraw/zinc/66/59/36/384665936.db2.gz HRTXGVAWGLKWRN-LBPRGKRZSA-N 1 1 232.327 2.275 40 0 BEABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000082324279 384669449 /nfs/dbraw/zinc/66/94/49/384669449.db2.gz ZDVXCFPUDGMJII-SNVBAGLBSA-N 1 1 236.290 2.106 40 0 BEABMO CC(C)(C)Cc1noc([C@H]2CCCC[NH2+]2)n1 ZINC000082673407 384701430 /nfs/dbraw/zinc/70/14/30/384701430.db2.gz LMRSCXBSWYTJPQ-SECBINFHSA-N 1 1 223.320 2.473 40 0 BEABMO CCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C)C1 ZINC000022538663 384766931 /nfs/dbraw/zinc/76/69/31/384766931.db2.gz KXYNBVINDFDWQW-GHMZBOCLSA-N 1 1 213.321 2.060 40 0 BEABMO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000095147661 385129391 /nfs/dbraw/zinc/12/93/91/385129391.db2.gz QOLAVFJYNHHXEP-NEPJUHHUSA-N 1 1 236.334 2.476 40 0 BEABMO Cc1cc(=O)[nH]cc1[C@@H]1CCCC[N@@H+]1C ZINC000072218154 385100283 /nfs/dbraw/zinc/10/02/83/385100283.db2.gz MUMIHOHSBATYJF-NSHDSACASA-N 1 1 206.289 2.252 40 0 BEABMO CC[N@H+]1CCC[C@@H]1c1cnc(N)c(C)c1 ZINC000072218431 385100932 /nfs/dbraw/zinc/10/09/32/385100932.db2.gz VMWWWYACWAJDNS-LLVKDONJSA-N 1 1 205.305 2.129 40 0 BEABMO CC(=O)N1CCC[C@H]1c1c[nH+]c(N(C)C)cc1C ZINC000072218673 385103175 /nfs/dbraw/zinc/10/31/75/385103175.db2.gz AOLUHJBEGLNLGT-ZDUSSCGKSA-N 1 1 247.342 2.139 40 0 BEABMO CNc1ncc([C@H]2CCC[N@H+]2C)cc1C ZINC000072218966 385105128 /nfs/dbraw/zinc/10/51/28/385105128.db2.gz BKKQCJIJJHRBSG-LLVKDONJSA-N 1 1 205.305 2.198 40 0 BEABMO CC(C)c1nccn1[C@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000096510526 385249955 /nfs/dbraw/zinc/24/99/55/385249955.db2.gz DZALLZYRMODTAK-QWHCGFSZSA-N 1 1 249.358 2.042 40 0 BEABMO CN(C)CC[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000020273985 385514657 /nfs/dbraw/zinc/51/46/57/385514657.db2.gz BHCWWKIOLOCHRY-LLVKDONJSA-N 1 1 212.724 2.292 40 0 BEABMO C[C@@H](F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261506721 385816282 /nfs/dbraw/zinc/81/62/82/385816282.db2.gz AILCJMUBAAZTJT-YPMHNXCESA-N 1 1 223.291 2.245 40 0 BEABMO C[C@@H](F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261506721 385816286 /nfs/dbraw/zinc/81/62/86/385816286.db2.gz AILCJMUBAAZTJT-YPMHNXCESA-N 1 1 223.291 2.245 40 0 BEABMO CCN(CC)[C@H](C[NH3+])c1cccc(C)c1 ZINC000038860269 386140316 /nfs/dbraw/zinc/14/03/16/386140316.db2.gz PYCOBKDXVRLWGL-CYBMUJFWSA-N 1 1 206.333 2.337 40 0 BEABMO N[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000218857303 386303825 /nfs/dbraw/zinc/30/38/25/386303825.db2.gz GTUUAWHXFFOHNE-NEPJUHHUSA-N 1 1 224.373 2.150 40 0 BEABMO C[C@H]1[C@H](O)CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000000270728 386478862 /nfs/dbraw/zinc/47/88/62/386478862.db2.gz VPGJNXCGHFUNEJ-UHTWSYAYSA-N 1 1 205.301 2.060 40 0 BEABMO Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000049169159 387420035 /nfs/dbraw/zinc/42/00/35/387420035.db2.gz LBZYNTQTLNWGDW-ZDUSSCGKSA-N 1 1 243.310 2.368 40 0 biogenic,in-vitro BEABMO Cc1nnc([C@H]2CC[N@@H+](Cc3cccs3)C2)o1 ZINC000049169242 387420725 /nfs/dbraw/zinc/42/07/25/387420725.db2.gz RJMBSBVZUJVSME-JTQLQIEISA-N 1 1 249.339 2.429 40 0 biogenic,in-vitro BEABMO CCCn1nccc1C[NH2+]Cc1ccco1 ZINC000164824519 387853397 /nfs/dbraw/zinc/85/33/97/387853397.db2.gz JRQYAIWKCZYZTA-UHFFFAOYSA-N 1 1 219.288 2.176 40 0 BEABMO CC(C)[C@H]([NH3+])c1nnc(-c2ccccc2)o1 ZINC000011586350 388707736 /nfs/dbraw/zinc/70/77/36/388707736.db2.gz UPKISGPBRVKPBU-JTQLQIEISA-N 1 1 217.272 2.392 40 0 BEABMO Cc1ccc(C[N@@H+]2CCN[C@@H]3CCC[C@@H]32)cc1 ZINC000225715557 388841233 /nfs/dbraw/zinc/84/12/33/388841233.db2.gz SEBNHSQPYQEASB-CABCVRRESA-N 1 1 230.355 2.321 40 0 BEABMO Cc1ccc(C[N@H+]2CCN[C@@H]3CCC[C@@H]32)cc1 ZINC000225715557 388841236 /nfs/dbraw/zinc/84/12/36/388841236.db2.gz SEBNHSQPYQEASB-CABCVRRESA-N 1 1 230.355 2.321 40 0 BEABMO c1ccc(C2=[NH+]N(c3ccccc3)CCN2)cc1 ZINC000006222853 132317984 /nfs/dbraw/zinc/31/79/84/132317984.db2.gz GDLJNFYUSJFWAS-UHFFFAOYSA-N 1 1 237.306 2.458 40 0 BEABMO CCCn1cc(C[NH2+]Cc2ccco2)c(C)n1 ZINC000256049865 398040617 /nfs/dbraw/zinc/04/06/17/398040617.db2.gz BUDVEODFIJSXAP-UHFFFAOYSA-N 1 1 233.315 2.484 40 0 BEABMO Cc1cn2cc(C(F)(F)F)cc(N)c2[nH+]1 ZINC000074536362 411206370 /nfs/dbraw/zinc/20/63/70/411206370.db2.gz AXVADFBNMTVRBO-UHFFFAOYSA-N 1 1 215.178 2.244 40 0 BEABMO CC[C@@H]1c2cc(OC)c(O)cc2CC[N@@H+]1C ZINC000003847422 171162114 /nfs/dbraw/zinc/16/21/14/171162114.db2.gz CZISOUSQPMDBJE-LLVKDONJSA-N 1 1 221.300 2.340 40 0 BEABMO C[N@H+]1CCC[C@@H](c2cccc3nccn32)C1 ZINC000257326719 173021938 /nfs/dbraw/zinc/02/19/38/173021938.db2.gz WYHSVWHQSPTQPP-LLVKDONJSA-N 1 1 215.300 2.144 40 0 BEABMO C[N@H+]1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000082317352 173038088 /nfs/dbraw/zinc/03/80/88/173038088.db2.gz KUIQQBKDGDLPQQ-LBPRGKRZSA-N 1 1 238.375 2.167 40 0 BEABMO C[N@H+]1CCC[C@H](Cc2nccnc2Cl)C1 ZINC000072363343 173042925 /nfs/dbraw/zinc/04/29/25/173042925.db2.gz IBLDKRUXJUEPSM-SECBINFHSA-N 1 1 225.723 2.014 40 0 BEABMO C[N@@H+]1[C@@H]2CC[C@H]1CC1(C2)SCCS1 ZINC000001720345 173206575 /nfs/dbraw/zinc/20/65/75/173206575.db2.gz VKSXHWATSCYZAH-DTORHVGOSA-N 1 1 215.387 2.419 40 0 BEABMO COc1ccc([C@@H]2CNCC[N@@H+]2C(C)C)cc1 ZINC000077369923 175184042 /nfs/dbraw/zinc/18/40/42/175184042.db2.gz DKBLZPOXUPBSLH-AWEZNQCLSA-N 1 1 234.343 2.050 40 0 BEABMO COc1ccc([C@@H]2CNCC[N@H+]2C(C)C)cc1 ZINC000077369923 175184043 /nfs/dbraw/zinc/18/40/43/175184043.db2.gz DKBLZPOXUPBSLH-AWEZNQCLSA-N 1 1 234.343 2.050 40 0 BEABMO COc1cccc(Nc2cc(N)[nH+]c(C)n2)c1 ZINC000049467296 175281158 /nfs/dbraw/zinc/28/11/58/175281158.db2.gz XCIUEHUSWJYGMF-UHFFFAOYSA-N 1 1 230.271 2.119 40 0 BEABMO COc1cccc(Nc2cc(N)nc(C)[nH+]2)c1 ZINC000049467296 175281160 /nfs/dbraw/zinc/28/11/60/175281160.db2.gz XCIUEHUSWJYGMF-UHFFFAOYSA-N 1 1 230.271 2.119 40 0 BEABMO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000095147658 176859984 /nfs/dbraw/zinc/85/99/84/176859984.db2.gz QOLAVFJYNHHXEP-NWDGAFQWSA-N 1 1 236.334 2.476 40 0 BEABMO C[C@@H](c1ccccc1)[N@@H+]1CCNC[C@@H]1C ZINC000041213213 177284590 /nfs/dbraw/zinc/28/45/90/177284590.db2.gz OPHHITNORRLRPQ-RYUDHWBXSA-N 1 1 204.317 2.041 40 0 BEABMO C[C@@H](c1ccccc1)[N@H+]1CCNC[C@@H]1C ZINC000041213213 177284591 /nfs/dbraw/zinc/28/45/91/177284591.db2.gz OPHHITNORRLRPQ-RYUDHWBXSA-N 1 1 204.317 2.041 40 0 BEABMO C[C@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096062526 177352481 /nfs/dbraw/zinc/35/24/81/177352481.db2.gz IVWWGXWOTVFSCP-WCFLWFBJSA-N 1 1 221.300 2.279 40 0 BEABMO C[C@H]1C[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]2O1 ZINC000096062524 177352718 /nfs/dbraw/zinc/35/27/18/177352718.db2.gz JCOZIKHHYQOZHA-GMXVVIOVSA-N 1 1 221.300 2.279 40 0 BEABMO C[C@H]1C[C@H]2C[N@@H+](Cc3ccccn3)CC[C@@H]2O1 ZINC000096045896 177387450 /nfs/dbraw/zinc/38/74/50/177387450.db2.gz YJUILXHWEKGUKU-OBJOEFQTSA-N 1 1 232.327 2.081 40 0 BEABMO CCn1ccc(C[NH2+]Cc2ccc(OC)cc2)n1 ZINC000002536098 523493463 /nfs/dbraw/zinc/49/34/63/523493463.db2.gz BBDJWCSENITGNM-UHFFFAOYSA-N 1 1 245.326 2.201 40 0 BEABMO CCn1ccc(C[NH2+]Cc2cccc(OC)c2)n1 ZINC000002536100 523494135 /nfs/dbraw/zinc/49/41/35/523494135.db2.gz NFWMALUDBKUSKF-UHFFFAOYSA-N 1 1 245.326 2.201 40 0 BEABMO CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000034453826 1167574125 /nfs/dbraw/zinc/57/41/25/1167574125.db2.gz OUPOBONEBFRSPF-CABCVRRESA-N 1 1 230.355 2.213 40 0 BEABMO C[N@@H+]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000034453826 1167574131 /nfs/dbraw/zinc/57/41/31/1167574131.db2.gz OUPOBONEBFRSPF-CABCVRRESA-N 1 1 230.355 2.213 40 0 BEABMO C[N@H+]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000034453826 1167574136 /nfs/dbraw/zinc/57/41/36/1167574136.db2.gz OUPOBONEBFRSPF-CABCVRRESA-N 1 1 230.355 2.213 40 0 BEABMO Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](O)C1 ZINC000096311762 178065835 /nfs/dbraw/zinc/06/58/35/178065835.db2.gz MDKQATOBJXTWNJ-LBPRGKRZSA-N 1 1 225.719 2.215 40 0 BEABMO CNc1ncccc1[C@@H]1CCCC[N@H+]1C ZINC000072212550 259317213 /nfs/dbraw/zinc/31/72/13/259317213.db2.gz HMFOOENVYROYNF-NSHDSACASA-N 1 1 205.305 2.280 40 0 BEABMO CC(=O)N1CCC[C@@H]1c1c[nH+]c(N(C)C)cc1C ZINC000072218674 259318125 /nfs/dbraw/zinc/31/81/25/259318125.db2.gz AOLUHJBEGLNLGT-CYBMUJFWSA-N 1 1 247.342 2.139 40 0 BEABMO CC[C@H](O)c1c[nH+]c(NC2CC2)cc1C ZINC000072223812 259321612 /nfs/dbraw/zinc/32/16/12/259321612.db2.gz ABNCBGAMMBPZIO-NSHDSACASA-N 1 1 206.289 2.408 40 0 BEABMO Cc1ccc(CN[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000218854648 398328927 /nfs/dbraw/zinc/32/89/27/398328927.db2.gz ONBQDJOJQCEANE-KBPBESRZSA-N 1 1 218.344 2.355 40 0 BEABMO CCN(CC)CC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 ZINC000022591839 343052312 /nfs/dbraw/zinc/05/23/12/343052312.db2.gz CICDOJLASYRIJX-NMWPEEMBSA-N 1 1 234.387 2.082 40 0 BEABMO C[C@@H](C(=O)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000035021124 343142510 /nfs/dbraw/zinc/14/25/10/343142510.db2.gz UYOUBVZNVDVMOA-JTQLQIEISA-N 1 1 221.275 2.493 40 0 in-vitro BEABMO C[NH+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000014152876 136274853 /nfs/dbraw/zinc/27/48/53/136274853.db2.gz JULIBQBCWYYRTF-UHFFFAOYSA-N 1 1 246.232 2.206 40 0 BEABMO CCO[C@H]1OC[N@@H+](C(C)C)CC1(C)C ZINC000031720524 343223543 /nfs/dbraw/zinc/22/35/43/343223543.db2.gz FXIWHWUVKUEVRJ-JTQLQIEISA-N 1 1 201.310 2.073 40 0 BEABMO CCO[C@H]1OC[N@H+](C(C)C)CC1(C)C ZINC000031720524 343223544 /nfs/dbraw/zinc/22/35/44/343223544.db2.gz FXIWHWUVKUEVRJ-JTQLQIEISA-N 1 1 201.310 2.073 40 0 BEABMO CC(C)[N@H+]1CC[C@@H](Nc2ccnc(Cl)n2)C1 ZINC000038579681 187255439 /nfs/dbraw/zinc/25/54/39/187255439.db2.gz ZRRCHVQXBQFVQU-SECBINFHSA-N 1 1 240.738 2.025 40 0 BEABMO Cc1cc([C@H]2CCC[N@@H+]2C(C)C)c[nH]c1=O ZINC000072217958 344514008 /nfs/dbraw/zinc/51/40/08/344514008.db2.gz AMQQYOSDFVKWKU-GFCCVEGCSA-N 1 1 220.316 2.229 40 0 BEABMO CC(C)(C)c1ccc(C[NH2+]CCN)cc1 ZINC000037712250 323107726 /nfs/dbraw/zinc/10/77/26/323107726.db2.gz LVNWSRPKSFNYIW-UHFFFAOYSA-N 1 1 206.333 2.032 40 0 BEABMO Cc1cccc(C[N@H+]2CCC[C@@H](O)C2)c1F ZINC000038539595 179073658 /nfs/dbraw/zinc/07/36/58/179073658.db2.gz MUTIVJHRCZZXJZ-GFCCVEGCSA-N 1 1 223.291 2.091 40 0 BEABMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000082321001 179139785 /nfs/dbraw/zinc/13/97/85/179139785.db2.gz AQEINNCCKCLQIZ-LBPRGKRZSA-N 1 1 232.327 2.275 40 0 BEABMO COC(=O)[C@H](C(C)C)[N@H+]1CCCC[C@@H]1C ZINC000022123325 350084433 /nfs/dbraw/zinc/08/44/33/350084433.db2.gz LGVTXLWASYUXKR-QWRGUYRKSA-N 1 1 213.321 2.058 40 0 BEABMO CSCC[C@H]([NH3+])c1nc(C2CCCC2)no1 ZINC000037756499 350288791 /nfs/dbraw/zinc/28/87/91/350288791.db2.gz BNEZDHOGRMUPAQ-VIFPVBQESA-N 1 1 241.360 2.480 40 0 BEABMO Cc1[nH+]cn(CCC2CCOCC2)c1C ZINC000292753600 180284935 /nfs/dbraw/zinc/28/49/35/180284935.db2.gz WZGMZJLZMWSIBH-UHFFFAOYSA-N 1 1 208.305 2.317 40 0 BEABMO CC[N@H+]1CCC[C@@H](Oc2ccccc2N)C1 ZINC000020351893 350490933 /nfs/dbraw/zinc/49/09/33/350490933.db2.gz PYOLIBDAFLUYTO-LLVKDONJSA-N 1 1 220.316 2.132 40 0 BEABMO CC(=O)O[C@]1(c2ccccc2)C[C@@H](C)C[N@@H+](C)C1 ZINC000004474743 188277098 /nfs/dbraw/zinc/27/70/98/188277098.db2.gz QSTBERFREDOMJD-IUODEOHRSA-N 1 1 247.338 2.417 40 0 BEABMO C[N@@H+]1CCC=C(c2cccc(Cl)n2)C1 ZINC000039158080 188290549 /nfs/dbraw/zinc/29/05/49/188290549.db2.gz ZBOFNPQOXYURQT-UHFFFAOYSA-N 1 1 208.692 2.454 40 0 BEABMO C[N@H+]1CCC=C(c2cccc(Cl)n2)C1 ZINC000039158080 188290550 /nfs/dbraw/zinc/29/05/50/188290550.db2.gz ZBOFNPQOXYURQT-UHFFFAOYSA-N 1 1 208.692 2.454 40 0 BEABMO CC(C)Cc1nnc([C@@H]([NH3+])c2ccc(F)cc2)[nH]1 ZINC000095533341 188320409 /nfs/dbraw/zinc/32/04/09/188320409.db2.gz CUOPOOKPMSQHTL-LBPRGKRZSA-N 1 1 248.305 2.190 40 0 BEABMO CC(C)[N@H+]1CCC[C@@]1(C)c1ccnc2ccnn21 ZINC000257279969 188369876 /nfs/dbraw/zinc/36/98/76/188369876.db2.gz OIYCKMHRDOZGTN-AWEZNQCLSA-N 1 1 244.342 2.449 40 0 BEABMO CC[C@H]1c2cc(O)c(OC)cc2CC[N@@H+]1C ZINC000001719352 359632339 /nfs/dbraw/zinc/63/23/39/359632339.db2.gz LSSNGUXKALZUIF-NSHDSACASA-N 1 1 221.300 2.340 40 0 BEABMO CNc1cc(C)c([C@@H]2CCCCN2C=O)c[nH+]1 ZINC000072219072 259530425 /nfs/dbraw/zinc/53/04/25/259530425.db2.gz OUXUIXVXHJILEQ-LBPRGKRZSA-N 1 1 233.315 2.115 40 0 BEABMO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cscn3)C2)n1 ZINC000205688542 368358445 /nfs/dbraw/zinc/35/84/45/368358445.db2.gz APIZUUQHYNEIHX-SNVBAGLBSA-N 1 1 248.355 2.164 40 0 BEABMO Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cscn3)C2)n1 ZINC000205688542 368358448 /nfs/dbraw/zinc/35/84/48/368358448.db2.gz APIZUUQHYNEIHX-SNVBAGLBSA-N 1 1 248.355 2.164 40 0 BEABMO CC(C)C(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000013425061 371064075 /nfs/dbraw/zinc/06/40/75/371064075.db2.gz OKDZSBOUVNBQMR-STQMWFEESA-N 1 1 239.359 2.450 40 0 BEABMO Cc1ccc([C@H]([NH3+])CN2CCCCC2)cc1 ZINC000019821196 371192701 /nfs/dbraw/zinc/19/27/01/371192701.db2.gz KZAQKTBENFPOFP-CQSZACIVSA-N 1 1 218.344 2.481 40 0 BEABMO N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000218853431 181576545 /nfs/dbraw/zinc/57/65/45/181576545.db2.gz MDLZPTBFVRHYHS-ZIAGYGMSSA-N 1 1 218.344 2.089 40 0 BEABMO C([C@H]1CCCCN1)[NH+]1CCCCCCC1 ZINC000020266057 371256665 /nfs/dbraw/zinc/25/66/65/371256665.db2.gz NOLHLBOSSOJEMB-CYBMUJFWSA-N 1 1 210.365 2.395 40 0 BEABMO OCCC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000052762280 183063535 /nfs/dbraw/zinc/06/35/35/183063535.db2.gz RKQFVFSOECMBDG-AWEZNQCLSA-N 1 1 219.328 2.424 40 0 BEABMO OCCNc1[nH]c2cc3ccccc3cc2[nH+]1 ZINC000026439659 183080730 /nfs/dbraw/zinc/08/07/30/183080730.db2.gz SGNZZCBKPLQBRV-UHFFFAOYSA-N 1 1 227.267 2.120 40 0 BEABMO OCCOC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079390542 183085950 /nfs/dbraw/zinc/08/59/50/183085950.db2.gz ZSLPPTNIOXWNFI-OAHLLOKOSA-N 1 1 249.354 2.050 40 0 BEABMO CCCCc1noc([C@H]2CCCC[NH2+]2)n1 ZINC000057340788 169033097 /nfs/dbraw/zinc/03/30/97/169033097.db2.gz UPRFINMMMJAVGA-SECBINFHSA-N 1 1 209.293 2.227 40 0 BEABMO O[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000038539577 183194378 /nfs/dbraw/zinc/19/43/78/183194378.db2.gz YYHNIWSXIJBCJM-SNVBAGLBSA-N 1 1 243.709 2.436 40 0 BEABMO O[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000038539577 183194380 /nfs/dbraw/zinc/19/43/80/183194380.db2.gz YYHNIWSXIJBCJM-SNVBAGLBSA-N 1 1 243.709 2.436 40 0 BEABMO c1ccc(CN(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000079438004 183396981 /nfs/dbraw/zinc/39/69/81/183396981.db2.gz BNNLBKGITSVWMS-UHFFFAOYSA-N 1 1 230.355 2.403 40 0 BEABMO c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n[nH]1 ZINC000072187692 183398518 /nfs/dbraw/zinc/39/85/18/183398518.db2.gz OKLKRMMFDLHIAK-GFCCVEGCSA-N 1 1 242.326 2.184 40 0 BEABMO Cc1ccc(C[N@H+](CCO)C(C)C)cc1 ZINC000049825108 383819165 /nfs/dbraw/zinc/81/91/65/383819165.db2.gz XZONFSPRQJKBQQ-UHFFFAOYSA-N 1 1 207.317 2.198 40 0 BEABMO C[C@H]1[C@@H](O)CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000001233053 383891394 /nfs/dbraw/zinc/89/13/94/383891394.db2.gz VPGJNXCGHFUNEJ-DRZSPHRISA-N 1 1 205.301 2.060 40 0 BEABMO C[C@@H](NC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000038040626 384061400 /nfs/dbraw/zinc/06/14/00/384061400.db2.gz KLIHGWHMEAEHKN-SNVBAGLBSA-N 1 1 222.307 2.228 40 0 BEABMO Cn1cnnc1[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000072356839 384210189 /nfs/dbraw/zinc/21/01/89/384210189.db2.gz MEQDLBPKFJVKHZ-GFCCVEGCSA-N 1 1 248.374 2.327 40 0 BEABMO c1cnc([C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000072361338 384212646 /nfs/dbraw/zinc/21/26/46/384212646.db2.gz VUCZYUKZZRXBNP-GFCCVEGCSA-N 1 1 217.316 2.066 40 0 BEABMO CC(=O)N1CC[N@H+](C(C)C)[C@@H](c2ccccc2)C1 ZINC000072366559 384214037 /nfs/dbraw/zinc/21/40/37/384214037.db2.gz GRWKRYOMXMVRKK-OAHLLOKOSA-N 1 1 246.354 2.300 40 0 BEABMO Cc1nc(N)cc([C@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000072387470 384219498 /nfs/dbraw/zinc/21/94/98/384219498.db2.gz FCRFAHAOBQUKQG-CYBMUJFWSA-N 1 1 246.358 2.447 40 0 BEABMO CC(C)c1nc([C@H]2CCCCC[NH2+]2)no1 ZINC000095348376 384371154 /nfs/dbraw/zinc/37/11/54/384371154.db2.gz KLDPGDMWAJSWFQ-SECBINFHSA-N 1 1 209.293 2.398 40 0 BEABMO C1C[C@]2(CC[N@H+](C3CCCCC3)C2)CO1 ZINC000096051072 384428612 /nfs/dbraw/zinc/42/86/12/384428612.db2.gz PLCFTPNVCNILNX-ZDUSSCGKSA-N 1 1 209.333 2.432 40 0 BEABMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000096054901 384428666 /nfs/dbraw/zinc/42/86/66/384428666.db2.gz CNGRAOAKMAGIBK-OKILXGFUSA-N 1 1 217.312 2.073 40 0 BEABMO CC(=O)c1cccc(Nc2cc(N)[nH+]c(C)n2)c1 ZINC000049467322 384536178 /nfs/dbraw/zinc/53/61/78/384536178.db2.gz SZPVBYAYCIREFI-UHFFFAOYSA-N 1 1 242.282 2.313 40 0 BEABMO Clc1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000072203324 385056110 /nfs/dbraw/zinc/05/61/10/385056110.db2.gz JORURHDRVJYWJS-GFCCVEGCSA-N 1 1 238.762 2.429 40 0 BEABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N)nc1 ZINC000072212365 385075948 /nfs/dbraw/zinc/07/59/48/385075948.db2.gz VLAGACIWOOGJBS-GFCCVEGCSA-N 1 1 219.332 2.457 40 0 BEABMO CCN(C)c1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000072212701 385078348 /nfs/dbraw/zinc/07/83/48/385078348.db2.gz DDVYMRYEYLAUOR-LBPRGKRZSA-N 1 1 219.332 2.304 40 0 BEABMO CC(C)Cc1nnc([C@@H]([NH3+])c2ccccc2)[nH]1 ZINC000095533473 385032464 /nfs/dbraw/zinc/03/24/64/385032464.db2.gz ANOIEMPWNNMUSG-LBPRGKRZSA-N 1 1 230.315 2.051 40 0 BEABMO Cc1[nH+]c(N)ccc1[C@H](O)c1ccccc1 ZINC000072224126 385115534 /nfs/dbraw/zinc/11/55/34/385115534.db2.gz RKFPKEXCZMYGCW-CYBMUJFWSA-N 1 1 214.268 2.054 40 0 BEABMO Cc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccccc2)o1 ZINC000072227354 385122722 /nfs/dbraw/zinc/12/27/22/385122722.db2.gz UNDJYBILXHRWCS-QWHCGFSZSA-N 1 1 242.278 2.003 40 0 BEABMO C[N@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215908 385093848 /nfs/dbraw/zinc/09/38/48/385093848.db2.gz ZODYVBOJYKCRPQ-ZDUSSCGKSA-N 1 1 231.343 2.449 40 0 BEABMO Cc1cc(=S)[nH]cc1[C@@H]1CCC[N@@H+]1C ZINC000072218305 385100512 /nfs/dbraw/zinc/10/05/12/385100512.db2.gz CBGSOLUGYGGVLY-JTQLQIEISA-N 1 1 208.330 2.445 40 0 BEABMO CC[N@H+]1CCC[C@H]1c1cnc(N)c(C)c1 ZINC000072218432 385100633 /nfs/dbraw/zinc/10/06/33/385100633.db2.gz VMWWWYACWAJDNS-NSHDSACASA-N 1 1 205.305 2.129 40 0 BEABMO CC(=O)N1CCCC[C@H]1c1c[nH+]c(N)cc1C ZINC000072218534 385101508 /nfs/dbraw/zinc/10/15/08/385101508.db2.gz QARLHCBJDHSWFX-LBPRGKRZSA-N 1 1 233.315 2.046 40 0 BEABMO CNc1ncc([C@@H]2CCC[N@H+]2C)cc1C ZINC000072218965 385104894 /nfs/dbraw/zinc/10/48/94/385104894.db2.gz BKKQCJIJJHRBSG-NSHDSACASA-N 1 1 205.305 2.198 40 0 BEABMO CCN(CC[C@H]([NH3+])C(C)C)Cc1ccncc1 ZINC000096523800 385266477 /nfs/dbraw/zinc/26/64/77/385266477.db2.gz NTKBNNVXCPVXJR-AWEZNQCLSA-N 1 1 235.375 2.277 40 0 BEABMO NC[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC000096523617 385269212 /nfs/dbraw/zinc/26/92/12/385269212.db2.gz BWROVJAJIZRKEO-ZDUSSCGKSA-N 1 1 210.365 2.380 40 0 BEABMO [NH3+]C[C@@H]1CCCCN1CCC1CCCC1 ZINC000096523617 385269219 /nfs/dbraw/zinc/26/92/19/385269219.db2.gz BWROVJAJIZRKEO-ZDUSSCGKSA-N 1 1 210.365 2.380 40 0 BEABMO Clc1ccccc1C[N@@H+]1CC[C@@H]2O[C@@H]2C1 ZINC000095097773 385449842 /nfs/dbraw/zinc/44/98/42/385449842.db2.gz YWJBKBIXBSXBHX-NWDGAFQWSA-N 1 1 223.703 2.313 40 0 BEABMO Clc1ccccc1C[N@H+]1CC[C@@H]2O[C@@H]2C1 ZINC000095097773 385449844 /nfs/dbraw/zinc/44/98/44/385449844.db2.gz YWJBKBIXBSXBHX-NWDGAFQWSA-N 1 1 223.703 2.313 40 0 BEABMO Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cc(C)on3)C2)n1 ZINC000257252611 385757352 /nfs/dbraw/zinc/75/73/52/385757352.db2.gz JVKXSNHWOYOHAX-LLVKDONJSA-N 1 1 246.314 2.004 40 0 BEABMO Cc1c[nH]c([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000257327896 385765634 /nfs/dbraw/zinc/76/56/34/385765634.db2.gz XDFDWTKNHIXPNS-LBPRGKRZSA-N 1 1 235.331 2.034 40 0 BEABMO C[C@H]1[NH2+]CCn2c(COCC3CCCC3)cnc21 ZINC000306143264 385992516 /nfs/dbraw/zinc/99/25/16/385992516.db2.gz XXKWOQJYFQMDTK-LLVKDONJSA-N 1 1 249.358 2.254 40 0 BEABMO C[C@H]([NH3+])c1nc([C@@H]2CCCSCC2)no1 ZINC000575415021 387022267 /nfs/dbraw/zinc/02/22/67/387022267.db2.gz JKBMUVKUIXMOCV-JGVFFNPUSA-N 1 1 227.333 2.090 40 0 BEABMO C1CC(c2noc([C@H]3CCCC[NH2+]3)n2)C1 ZINC000083120098 387401393 /nfs/dbraw/zinc/40/13/93/387401393.db2.gz ZFPVBLUCIBUVRG-SECBINFHSA-N 1 1 207.277 2.152 40 0 BEABMO FC(F)n1nccc1C[NH2+]Cc1ccco1 ZINC000256053533 387862694 /nfs/dbraw/zinc/86/26/94/387862694.db2.gz RVCZFEDMPUCEPV-UHFFFAOYSA-N 1 1 227.214 2.161 40 0 BEABMO C[NH2+][C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000050269994 387955124 /nfs/dbraw/zinc/95/51/24/387955124.db2.gz IATAHNRFLYIWSF-VIFPVBQESA-N 1 1 219.115 2.213 40 0 BEABMO CC(C)c1nnc([C@@H]([NH3+])c2ccc(F)cc2)[nH]1 ZINC000095533245 388776847 /nfs/dbraw/zinc/77/68/47/388776847.db2.gz TYFQJSGHGKKBAD-JTQLQIEISA-N 1 1 234.278 2.115 40 0 BEABMO CC(C)c1nnc([C@H]([NH3+])c2ccc(F)cc2)[nH]1 ZINC000095533244 388777209 /nfs/dbraw/zinc/77/72/09/388777209.db2.gz TYFQJSGHGKKBAD-SNVBAGLBSA-N 1 1 234.278 2.115 40 0 BEABMO C1C[C@@H]2NCC[N@H+](C3CCCCC3)[C@H]2C1 ZINC000242495520 388817923 /nfs/dbraw/zinc/81/79/23/388817923.db2.gz GHGZLQZVXKLYNC-STQMWFEESA-N 1 1 208.349 2.145 40 0 BEABMO C[N@@H+]1C[C@@H](N)[C@@H](c2cccc3ccccc32)C1 ZINC000225606783 388839380 /nfs/dbraw/zinc/83/93/80/388839380.db2.gz ZFXMGGNUDJFQJW-HUUCEWRRSA-N 1 1 226.323 2.196 40 0 BEABMO C[N@H+]1C[C@@H](N)[C@@H](c2cccc3ccccc32)C1 ZINC000225606783 388839382 /nfs/dbraw/zinc/83/93/82/388839382.db2.gz ZFXMGGNUDJFQJW-HUUCEWRRSA-N 1 1 226.323 2.196 40 0 BEABMO Cc1ccc([C@@H](CN)[NH+]2CCCC2)cc1C ZINC000037179866 397971610 /nfs/dbraw/zinc/97/16/10/397971610.db2.gz INJUAPOOOREKPT-CQSZACIVSA-N 1 1 218.344 2.399 40 0 BEABMO CC(C)Nc1[nH]nc2nc([C@H]3CCC[NH2+]3)ccc21 ZINC000019695602 167150141 /nfs/dbraw/zinc/15/01/41/167150141.db2.gz PQHUWISIZFANOX-SNVBAGLBSA-N 1 1 245.330 2.203 40 0 BEABMO CCC(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000225274491 168233815 /nfs/dbraw/zinc/23/38/15/168233815.db2.gz NGVYZVDQUNEMFT-UHFFFAOYSA-N 1 1 243.310 2.207 40 0 BEABMO CCOCC[N@H+]1CCCC[C@@H]1c1n[nH]cc1C ZINC000257260432 170397943 /nfs/dbraw/zinc/39/79/43/170397943.db2.gz LCUUZVGZSSCPFU-GFCCVEGCSA-N 1 1 237.347 2.282 40 0 BEABMO CCOCC[N@@H+]1CCCC[C@@H]1c1[nH]ncc1C ZINC000257260432 170397944 /nfs/dbraw/zinc/39/79/44/170397944.db2.gz LCUUZVGZSSCPFU-GFCCVEGCSA-N 1 1 237.347 2.282 40 0 BEABMO CCOCC[N@H+]1CCCC[C@@H]1c1[nH]ncc1C ZINC000257260432 170397946 /nfs/dbraw/zinc/39/79/46/170397946.db2.gz LCUUZVGZSSCPFU-GFCCVEGCSA-N 1 1 237.347 2.282 40 0 BEABMO CC[C@@H]1c2cc(O)c(OC)cc2CC[N@@H+]1C ZINC000003847412 171162098 /nfs/dbraw/zinc/16/20/98/171162098.db2.gz LSSNGUXKALZUIF-LLVKDONJSA-N 1 1 221.300 2.340 40 0 BEABMO CC[C@@](C)(C(=O)OC)[N@H+]1CCC[C@H](C)C1 ZINC000035655764 171163947 /nfs/dbraw/zinc/16/39/47/171163947.db2.gz MGVMHLJMIWYJRP-JQWIXIFHSA-N 1 1 213.321 2.060 40 0 BEABMO C[N@H+]1CCCC[C@H]1[C@](C)(O)c1ccccc1 ZINC000004777751 173009845 /nfs/dbraw/zinc/00/98/45/173009845.db2.gz LXDBGLKINLPWMY-UONOGXRCSA-N 1 1 219.328 2.378 40 0 BEABMO C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000034300804 173048748 /nfs/dbraw/zinc/04/87/48/173048748.db2.gz AAWGPUXIHPRTHQ-JTQLQIEISA-N 1 1 215.300 2.372 40 0 BEABMO Cn1nccc1-c1cccc([C@@H]2CCC[N@H+]2C)n1 ZINC000257244343 173060168 /nfs/dbraw/zinc/06/01/68/173060168.db2.gz IKWMNDVBUZZONA-ZDUSSCGKSA-N 1 1 242.326 2.249 40 0 BEABMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](OC(=O)c1ccco1)C2 ZINC000100745142 173204898 /nfs/dbraw/zinc/20/48/98/173204898.db2.gz GGHICGWVZFRCPF-GDNZZTSVSA-N 1 1 249.310 2.452 40 0 BEABMO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCc1ccccc1)C2 ZINC000100243797 173205759 /nfs/dbraw/zinc/20/57/59/173205759.db2.gz IJBWOPMYRYEKGI-QDMKHBRRSA-N 1 1 230.355 2.401 40 0 BEABMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCc1ccccc1)C2 ZINC000100243797 173205761 /nfs/dbraw/zinc/20/57/61/173205761.db2.gz IJBWOPMYRYEKGI-QDMKHBRRSA-N 1 1 230.355 2.401 40 0 BEABMO COc1ccccc1[C@H](CN)[N@@H+]1CCC[C@H](C)C1 ZINC000038809152 175353597 /nfs/dbraw/zinc/35/35/97/175353597.db2.gz AWACISUOWGQNCH-JSGCOSHPSA-N 1 1 248.370 2.427 40 0 BEABMO COc1ccccc1[C@H](CN)[N@H+]1CCC[C@H](C)C1 ZINC000038809152 175353599 /nfs/dbraw/zinc/35/35/99/175353599.db2.gz AWACISUOWGQNCH-JSGCOSHPSA-N 1 1 248.370 2.427 40 0 BEABMO C[C@@H]1CCCN(C[N@H+]2CCC[C@H](C)C2)C1 ZINC000019202611 177099136 /nfs/dbraw/zinc/09/91/36/177099136.db2.gz KLFHRQOZJWCFOI-BETUJISGSA-N 1 1 210.365 2.408 40 0 BEABMO C[C@@H]1CCC[N@@H+](CN2CCC[C@H](C)C2)C1 ZINC000019202611 177099137 /nfs/dbraw/zinc/09/91/37/177099137.db2.gz KLFHRQOZJWCFOI-BETUJISGSA-N 1 1 210.365 2.408 40 0 BEABMO C[C@@H]1CCC[N@H+](CN2CCC[C@H](C)C2)C1 ZINC000019202611 177099138 /nfs/dbraw/zinc/09/91/38/177099138.db2.gz KLFHRQOZJWCFOI-BETUJISGSA-N 1 1 210.365 2.408 40 0 BEABMO CCC(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260764688 323126988 /nfs/dbraw/zinc/12/69/88/323126988.db2.gz LIICHGVIIAHLRV-GFCCVEGCSA-N 1 1 226.364 2.167 40 0 BEABMO CCN(CC)CC[NH2+]Cc1ccccc1OC ZINC000019919158 520688352 /nfs/dbraw/zinc/68/83/52/520688352.db2.gz FRLUFYAWTAZMMX-UHFFFAOYSA-N 1 1 236.359 2.127 40 0 BEABMO NCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC000082390058 1166038392 /nfs/dbraw/zinc/03/83/92/1166038392.db2.gz VKLNIHVWRRQDPR-UHFFFAOYSA-N 1 1 218.344 2.438 40 0 BEABMO [NH3+]CC1(NCc2ccccc2)CCCCC1 ZINC000082390058 1166038401 /nfs/dbraw/zinc/03/84/01/1166038401.db2.gz VKLNIHVWRRQDPR-UHFFFAOYSA-N 1 1 218.344 2.438 40 0 BEABMO Cc1ccc(-c2n[nH]c([C@H]([NH3+])C(C)C)n2)cc1 ZINC000095534784 178337489 /nfs/dbraw/zinc/33/74/89/178337489.db2.gz FTJJOVHIWRMMRZ-LLVKDONJSA-N 1 1 230.315 2.436 40 0 BEABMO Nc1[nH]c2ccc([C@H](O)c3ccccc3)cc2[nH+]1 ZINC000005117403 342758398 /nfs/dbraw/zinc/75/83/98/342758398.db2.gz IUOONJFBASBHAA-CYBMUJFWSA-N 1 1 239.278 2.227 40 0 in-vitro BEABMO Cc1cc(N)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223083 259320978 /nfs/dbraw/zinc/32/09/78/259320978.db2.gz IGJCRGYQFNMHCU-CYBMUJFWSA-N 1 1 214.268 2.054 40 0 BEABMO COC(=O)[C@H](C(C)C)[N@H+]1CCCC[C@H]1C ZINC000035655760 342804606 /nfs/dbraw/zinc/80/46/06/342804606.db2.gz LGVTXLWASYUXKR-MNOVXSKESA-N 1 1 213.321 2.058 40 0 BEABMO Cc1c[nH+]cn1CC(=O)c1ccccc1 ZINC000013281792 342865228 /nfs/dbraw/zinc/86/52/28/342865228.db2.gz IXNPPUZMZUWSEV-UHFFFAOYSA-N 1 1 200.241 2.074 40 0 BEABMO C1CCC([N@H+]2CCN[C@H]3CCCC[C@H]32)C1 ZINC000218827850 398328565 /nfs/dbraw/zinc/32/85/65/398328565.db2.gz ZWKJNDZNZSTNMG-QWHCGFSZSA-N 1 1 208.349 2.145 40 0 BEABMO COC(C[N@@H+](C)Cc1c[nH]c2ccccc12)OC ZINC000031689648 343223119 /nfs/dbraw/zinc/22/31/19/343223119.db2.gz YZXQZBGIXBSJIL-UHFFFAOYSA-N 1 1 248.326 2.219 40 0 BEABMO CCCC[N@@H+](CC)CCC(=O)OCC ZINC000036984790 343329497 /nfs/dbraw/zinc/32/94/97/343329497.db2.gz DFODMGBOXJGZTI-UHFFFAOYSA-N 1 1 201.310 2.062 40 0 BEABMO CCCC[N@H+]1CCC[C@]2(CCC(=O)N2C)CC1 ZINC000585100526 344131457 /nfs/dbraw/zinc/13/14/57/344131457.db2.gz MGTUTLXKMSWQLP-AWEZNQCLSA-N 1 1 238.375 2.263 40 0 BEABMO CC[N@H+]1CCCC[C@@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217973 344513841 /nfs/dbraw/zinc/51/38/41/344513841.db2.gz VXJSSAGJNZMHDN-GFCCVEGCSA-N 1 1 220.316 2.230 40 0 BEABMO Cc1cc([C@H]2CCC[N@@H+]2CC(C)C)c[nH]c1=O ZINC000072217962 344514075 /nfs/dbraw/zinc/51/40/75/344514075.db2.gz BHGSUFHXYHMOHZ-CYBMUJFWSA-N 1 1 234.343 2.476 40 0 BEABMO Cc1ccc(O)c[n+]1Cc1ccccc1 ZINC000104227801 187292129 /nfs/dbraw/zinc/29/21/29/187292129.db2.gz AMILRNRKOLIQDX-UHFFFAOYSA-N 1 1 200.261 2.147 40 0 BEABMO Cc1cccc(C[N@@H+]2CC[C@H]3C[C@H](C)O[C@@H]3C2)n1 ZINC000096046016 179082702 /nfs/dbraw/zinc/08/27/02/179082702.db2.gz GDUVXQZJDDWPBZ-KCQAQPDRSA-N 1 1 246.354 2.389 40 0 BEABMO Cc1cccc(Nc2cc(N)[nH+]c(C)n2)c1 ZINC000039109479 179159358 /nfs/dbraw/zinc/15/93/58/179159358.db2.gz RDNJROPYFRYCNZ-UHFFFAOYSA-N 1 1 214.272 2.419 40 0 BEABMO Cc1cccc(Nc2cc(N)nc(C)[nH+]2)c1 ZINC000039109479 179159362 /nfs/dbraw/zinc/15/93/62/179159362.db2.gz RDNJROPYFRYCNZ-UHFFFAOYSA-N 1 1 214.272 2.419 40 0 BEABMO Cc1cccc([C@@H]2CCC[N@@H+]2CCN)c1 ZINC000032553276 179190101 /nfs/dbraw/zinc/19/01/01/179190101.db2.gz XNAJNSLEVJKKIS-ZDUSSCGKSA-N 1 1 204.317 2.091 40 0 BEABMO Cc1cccc([C@@H]2CCC[N@H+]2CCN)c1 ZINC000032553276 179190102 /nfs/dbraw/zinc/19/01/02/179190102.db2.gz XNAJNSLEVJKKIS-ZDUSSCGKSA-N 1 1 204.317 2.091 40 0 BEABMO C([C@@H]1CCCCN1)[NH+]1CCCCCCC1 ZINC000020266054 349256782 /nfs/dbraw/zinc/25/67/82/349256782.db2.gz NOLHLBOSSOJEMB-ZDUSSCGKSA-N 1 1 210.365 2.395 40 0 BEABMO Cc1nc([C@H]2CCC[N@H+]2C2CCCC2)cc(=O)[nH]1 ZINC000072356827 180057739 /nfs/dbraw/zinc/05/77/39/180057739.db2.gz BAOISJKRASXGEE-CYBMUJFWSA-N 1 1 247.342 2.158 40 0 BEABMO CCN(CC)[C@@H](C[NH3+])c1ccccc1C ZINC000038827557 350324047 /nfs/dbraw/zinc/32/40/47/350324047.db2.gz OWQIRLVOUXXGRO-ZDUSSCGKSA-N 1 1 206.333 2.337 40 0 BEABMO CC(C)[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000072348451 188306796 /nfs/dbraw/zinc/30/67/96/188306796.db2.gz GJQVBCIGTGUMFV-LLVKDONJSA-N 1 1 205.305 2.064 40 0 BEABMO CC(=O)OC/C=C(\C)CC[C@@H]1[N@@H+](C)C1(C)C ZINC000169804282 188338871 /nfs/dbraw/zinc/33/88/71/188338871.db2.gz IKXGGDPTPVSXQR-MPFAEQKASA-N 1 1 225.332 2.369 40 0 BEABMO CC(=O)OC/C=C(\C)CC[C@@H]1[N@H+](C)C1(C)C ZINC000169804282 188338874 /nfs/dbraw/zinc/33/88/74/188338874.db2.gz IKXGGDPTPVSXQR-MPFAEQKASA-N 1 1 225.332 2.369 40 0 BEABMO COc1ccc(C[C@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000257227351 188370103 /nfs/dbraw/zinc/37/01/03/188370103.db2.gz FOWXUCQHVIJVFE-HNNXBMFYSA-N 1 1 249.354 2.347 40 0 BEABMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000004203901 357337269 /nfs/dbraw/zinc/33/72/69/357337269.db2.gz BESBVPBWOJMGFI-CYBMUJFWSA-N 1 1 219.328 2.279 40 0 BEABMO CN1[C@@H]2CCCC[C@@H]2[N@H+](C)[C@H]2CCCC[C@@H]21 ZINC000169657688 360780711 /nfs/dbraw/zinc/78/07/11/360780711.db2.gz LODHMOLPIMTBHV-XDQVBPFNSA-N 1 1 222.376 2.486 40 0 BEABMO CN1[C@H]2CCCC[C@H]2[N@@H+](C)[C@H]2CCCC[C@@H]21 ZINC000169657688 360780713 /nfs/dbraw/zinc/78/07/13/360780713.db2.gz LODHMOLPIMTBHV-XDQVBPFNSA-N 1 1 222.376 2.486 40 0 BEABMO [NH3+]CC1CCN(Cc2c(F)cccc2F)CC1 ZINC000044511906 181365438 /nfs/dbraw/zinc/36/54/38/181365438.db2.gz SQAZVVNHHAXSKK-UHFFFAOYSA-N 1 1 240.297 2.136 40 0 BEABMO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3ccncc3)C2)n1 ZINC000205694749 368358223 /nfs/dbraw/zinc/35/82/23/368358223.db2.gz ZDDBLBDIIDRJRV-ZDUSSCGKSA-N 1 1 242.326 2.103 40 0 BEABMO CCC[N@@H+](C)C[C@@H]1Cc2ccccc2N1 ZINC000087655862 169077805 /nfs/dbraw/zinc/07/78/05/169077805.db2.gz LAIZUVWRYCXFGQ-LBPRGKRZSA-N 1 1 204.317 2.365 40 0 BEABMO O[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000038539751 183194501 /nfs/dbraw/zinc/19/45/01/183194501.db2.gz WHAGZZRYXKCPOX-SNVBAGLBSA-N 1 1 243.709 2.436 40 0 BEABMO O[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000038539751 183194503 /nfs/dbraw/zinc/19/45/03/183194503.db2.gz WHAGZZRYXKCPOX-SNVBAGLBSA-N 1 1 243.709 2.436 40 0 BEABMO c1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CC2CC2)co1 ZINC000096063946 183346041 /nfs/dbraw/zinc/34/60/41/183346041.db2.gz SWRBDSBQBYKFNP-LSDHHAIUSA-N 1 1 246.354 2.338 40 0 BEABMO CCC[N@H+]1CCc2ncnc(NC(C)C)c2CC1 ZINC000096255537 169209124 /nfs/dbraw/zinc/20/91/24/169209124.db2.gz WIEUQQGNEJLXJO-UHFFFAOYSA-N 1 1 248.374 2.108 40 0 BEABMO c1cc([C@@H]2CCCC[N@@H+]2CC2CCOCC2)n[nH]1 ZINC000257290696 183360614 /nfs/dbraw/zinc/36/06/14/183360614.db2.gz QDZIVYFOCCMNDA-AWEZNQCLSA-N 1 1 249.358 2.363 40 0 BEABMO CCC[NH2+]Cc1nc2ccc(C)cc2[nH]1 ZINC000022122039 169269741 /nfs/dbraw/zinc/26/97/41/169269741.db2.gz UVLJVOPFKHSLIE-UHFFFAOYSA-N 1 1 203.289 2.371 40 0 BEABMO c1ccc(C[N@@H+]2CCN[C@@H]3CCC[C@H]32)cc1 ZINC000218842826 183399807 /nfs/dbraw/zinc/39/98/07/183399807.db2.gz OMWCMAVXTQXEHA-ZIAGYGMSSA-N 1 1 216.328 2.013 40 0 BEABMO c1ccc(C[N@H+]2CCN[C@@H]3CCC[C@H]32)cc1 ZINC000218842826 183399809 /nfs/dbraw/zinc/39/98/09/183399809.db2.gz OMWCMAVXTQXEHA-ZIAGYGMSSA-N 1 1 216.328 2.013 40 0 BEABMO CCC[C@@H](C(=O)OC)[N@H+]1CCCC[C@@H]1C ZINC000022538658 169346637 /nfs/dbraw/zinc/34/66/37/169346637.db2.gz XCUSXHHSDBPAFM-QWRGUYRKSA-N 1 1 213.321 2.203 40 0 BEABMO c1ccc(CN2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000034264452 383862790 /nfs/dbraw/zinc/86/27/90/383862790.db2.gz BMFDRCPVKBNLAA-AWEZNQCLSA-N 1 1 230.355 2.261 40 0 BEABMO Cc1noc([C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000072356833 384209621 /nfs/dbraw/zinc/20/96/21/384209621.db2.gz WBSNTULMMPGVAN-JTQLQIEISA-N 1 1 221.304 2.110 40 0 BEABMO CC(C)[N@H+]1CCO[C@H](c2cc3cccnc3[nH]2)C1 ZINC000072381400 384217179 /nfs/dbraw/zinc/21/71/79/384217179.db2.gz IYDIYSWPPOSSOL-ZDUSSCGKSA-N 1 1 245.326 2.345 40 0 BEABMO CC(C)c1nc([C@@H]2CCCCC[NH2+]2)no1 ZINC000095348375 384371655 /nfs/dbraw/zinc/37/16/55/384371655.db2.gz KLDPGDMWAJSWFQ-VIFPVBQESA-N 1 1 209.293 2.398 40 0 BEABMO O=C1[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000012506037 384323268 /nfs/dbraw/zinc/32/32/68/384323268.db2.gz TWCUMUDCNSLOTN-OKILXGFUSA-N 1 1 229.323 2.488 40 0 BEABMO O=C1[C@@H]2CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000012506037 384323273 /nfs/dbraw/zinc/32/32/73/384323273.db2.gz TWCUMUDCNSLOTN-OKILXGFUSA-N 1 1 229.323 2.488 40 0 BEABMO CCO[C@@H]1CC[N@@H+](C2CCCC2)[C@H]2CCO[C@@H]21 ZINC000096220280 384443757 /nfs/dbraw/zinc/44/37/57/384443757.db2.gz QBVMIQYUARESTI-MJBXVCDLSA-N 1 1 239.359 2.197 40 0 BEABMO CCc1cccc2c(NN)cc(C)[nH+]c12 ZINC000019721962 384534603 /nfs/dbraw/zinc/53/46/03/384534603.db2.gz CBJODOKWSKSLAZ-UHFFFAOYSA-N 1 1 201.273 2.391 40 0 BEABMO Cc1c[nH+]c(N2CCCC[C@H]2C)c(N)c1 ZINC000085425097 384520926 /nfs/dbraw/zinc/52/09/26/384520926.db2.gz WZVOZBKADGDIQG-SNVBAGLBSA-N 1 1 205.305 2.351 40 0 BEABMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000082306122 384662414 /nfs/dbraw/zinc/66/24/14/384662414.db2.gz KPIJBNIEQKRTLM-JSGCOSHPSA-N 1 1 246.354 2.206 40 0 BEABMO CSCC[C@H]([NH3+])c1nnc(-c2ccccc2)o1 ZINC000072210633 385067569 /nfs/dbraw/zinc/06/75/69/385067569.db2.gz VFHOKQNWPQCOAA-JTQLQIEISA-N 1 1 249.339 2.490 40 0 BEABMO CCOc1ncccc1[C@@H]1CCC[N@H+]1C ZINC000072211824 385070938 /nfs/dbraw/zinc/07/09/38/385070938.db2.gz FZYALRGLBBOCJI-NSHDSACASA-N 1 1 206.289 2.247 40 0 BEABMO CCOc1ncccc1[C@H]1CCC[N@H+]1C ZINC000072211825 385071703 /nfs/dbraw/zinc/07/17/03/385071703.db2.gz FZYALRGLBBOCJI-LLVKDONJSA-N 1 1 206.289 2.247 40 0 BEABMO CC[N@H+]1CCCC[C@@H]1c1ccc[nH]c1=O ZINC000072212322 385074333 /nfs/dbraw/zinc/07/43/33/385074333.db2.gz VGGLQOOUGCRAMY-LLVKDONJSA-N 1 1 206.289 2.334 40 0 BEABMO CCC[N@H+]1CCC[C@H]1c1ccc(N)nc1 ZINC000072212364 385076996 /nfs/dbraw/zinc/07/69/96/385076996.db2.gz VHEOZDFBESXITP-NSHDSACASA-N 1 1 205.305 2.211 40 0 BEABMO C[N@H+]1CCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213703 385082934 /nfs/dbraw/zinc/08/29/34/385082934.db2.gz KXRLVNPPCNWYRB-GFCCVEGCSA-N 1 1 217.316 2.423 40 0 BEABMO Cc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccccc2)o1 ZINC000072227355 385121835 /nfs/dbraw/zinc/12/18/35/385121835.db2.gz UNDJYBILXHRWCS-STQMWFEESA-N 1 1 242.278 2.003 40 0 BEABMO Cc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccccc2)o1 ZINC000072227356 385122919 /nfs/dbraw/zinc/12/29/19/385122919.db2.gz UNDJYBILXHRWCS-CHWSQXEVSA-N 1 1 242.278 2.003 40 0 BEABMO C[N@H+]1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215968 385093987 /nfs/dbraw/zinc/09/39/87/385093987.db2.gz GCXSQOZSCNDDKG-ZDUSSCGKSA-N 1 1 231.343 2.449 40 0 BEABMO CCO[C@@H]1OC[N@@H+](C(C)C)CC1(C)C ZINC000031720522 385099628 /nfs/dbraw/zinc/09/96/28/385099628.db2.gz FXIWHWUVKUEVRJ-SNVBAGLBSA-N 1 1 201.310 2.073 40 0 BEABMO CCO[C@@H]1OC[N@H+](C(C)C)CC1(C)C ZINC000031720522 385099634 /nfs/dbraw/zinc/09/96/34/385099634.db2.gz FXIWHWUVKUEVRJ-SNVBAGLBSA-N 1 1 201.310 2.073 40 0 BEABMO CC[N@H+]1CCC[C@H]1c1ccc(N)nc1C ZINC000072218552 385101489 /nfs/dbraw/zinc/10/14/89/385101489.db2.gz WODJHSIWXJQFLJ-NSHDSACASA-N 1 1 205.305 2.129 40 0 BEABMO Cc1cc(N(C)C)ncc1[C@H]1CCC[N@H+]1C ZINC000072218666 385101670 /nfs/dbraw/zinc/10/16/70/385101670.db2.gz FEHBFAWECJCHDF-GFCCVEGCSA-N 1 1 219.332 2.223 40 0 BEABMO Cn1cccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193856433 385415100 /nfs/dbraw/zinc/41/51/00/385415100.db2.gz XTXGJDUMHJWIKD-LBPRGKRZSA-N 1 1 244.342 2.128 40 0 BEABMO Cn1cccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193856433 385415103 /nfs/dbraw/zinc/41/51/03/385415103.db2.gz XTXGJDUMHJWIKD-LBPRGKRZSA-N 1 1 244.342 2.128 40 0 BEABMO Cn1cccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193856433 385415107 /nfs/dbraw/zinc/41/51/07/385415107.db2.gz XTXGJDUMHJWIKD-LBPRGKRZSA-N 1 1 244.342 2.128 40 0 BEABMO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000257247564 385756504 /nfs/dbraw/zinc/75/65/04/385756504.db2.gz IZNGAFXVDWAWEQ-JTQLQIEISA-N 1 1 248.355 2.164 40 0 BEABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000257247564 385756510 /nfs/dbraw/zinc/75/65/10/385756510.db2.gz IZNGAFXVDWAWEQ-JTQLQIEISA-N 1 1 248.355 2.164 40 0 BEABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC000257258679 385759404 /nfs/dbraw/zinc/75/94/04/385759404.db2.gz KVBQUYVWQREMIB-LBPRGKRZSA-N 1 1 219.332 2.308 40 0 BEABMO CC(C)OCCC[N@@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000218831193 386056538 /nfs/dbraw/zinc/05/65/38/386056538.db2.gz SVOFHSOHNPEOPL-UONOGXRCSA-N 1 1 240.391 2.018 40 0 BEABMO CC(C)OCCC[N@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000218831193 386056541 /nfs/dbraw/zinc/05/65/41/386056541.db2.gz SVOFHSOHNPEOPL-UONOGXRCSA-N 1 1 240.391 2.018 40 0 BEABMO O=Cc1ccc(F)cc1C[NH+]1CCCC1 ZINC000095738936 387004441 /nfs/dbraw/zinc/00/44/41/387004441.db2.gz GJBNKAXEYPJSTD-UHFFFAOYSA-N 1 1 207.248 2.234 40 0 BEABMO Cc1ccc(C[N@H+]2CCCC[C@H]2CO)cc1 ZINC000049751259 387023548 /nfs/dbraw/zinc/02/35/48/387023548.db2.gz RUCUIOODARESCC-AWEZNQCLSA-N 1 1 219.328 2.342 40 0 BEABMO Oc1ccc(-c2c[nH+]c3n2CCC3)cc1 ZINC000026472286 387394766 /nfs/dbraw/zinc/39/47/66/387394766.db2.gz KKKUVTVUHQHKOP-UHFFFAOYSA-N 1 1 200.241 2.202 40 0 BEABMO CCCn1nc(C)cc1C[NH2+]Cc1ccco1 ZINC000256054466 387862307 /nfs/dbraw/zinc/86/23/07/387862307.db2.gz WKANWKXUNFOYAE-UHFFFAOYSA-N 1 1 233.315 2.484 40 0 BEABMO Cc1ccc([C@@H]([NH3+])c2nnc(CC(C)C)[nH]2)cc1 ZINC000095534175 388776985 /nfs/dbraw/zinc/77/69/85/388776985.db2.gz QTPUWJYHYQYRII-CYBMUJFWSA-N 1 1 244.342 2.360 40 0 BEABMO C[C@H]1C[C@H](C)C[NH+](c2ccc(N)cc2N)C1 ZINC000216767870 132250790 /nfs/dbraw/zinc/25/07/90/132250790.db2.gz UGCJLVZPBOHKRY-UWVGGRQHSA-N 1 1 219.332 2.333 40 0 BEABMO CCc1cccc2c(N3CC[NH2+]CC3)ccnc12 ZINC000040175309 132295971 /nfs/dbraw/zinc/29/59/71/132295971.db2.gz ACUWVSATXFQBTH-UHFFFAOYSA-N 1 1 241.338 2.207 40 0 BEABMO C[C@H]1C[C@H](C)CN(c2[nH+]cccc2N)C1 ZINC000020317224 132331127 /nfs/dbraw/zinc/33/11/27/132331127.db2.gz CWNKGXSVOUKHTA-UWVGGRQHSA-N 1 1 205.305 2.146 40 0 BEABMO CC(C)[N@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257285430 167027275 /nfs/dbraw/zinc/02/72/75/167027275.db2.gz PHBGDIZESBMASY-GJZGRUSLSA-N 1 1 249.354 2.299 40 0 BEABMO CCCC[NH2+]Cc1nc2ccc(OC)cc2[nH]1 ZINC000022122096 411310301 /nfs/dbraw/zinc/31/03/01/411310301.db2.gz BMCQBVFSRLQNDD-UHFFFAOYSA-N 1 1 233.315 2.461 40 0 BEABMO CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832126 170091940 /nfs/dbraw/zinc/09/19/40/170091940.db2.gz JSGNIBHKHVBIFT-CQSZACIVSA-N 1 1 246.354 2.035 40 0 BEABMO CN1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000001641423 173006163 /nfs/dbraw/zinc/00/61/63/173006163.db2.gz YWMAWIWYSHEARC-CYBMUJFWSA-N 1 1 210.365 2.347 40 0 in-vitro BEABMO C[N@H+]1CCCC[C@@H]1c1ccc(-n2ccnc2)nc1 ZINC000072386559 173008518 /nfs/dbraw/zinc/00/85/18/173008518.db2.gz RGXXBCYZOKBQQT-CYBMUJFWSA-N 1 1 242.326 2.424 40 0 BEABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000082324278 173039512 /nfs/dbraw/zinc/03/95/12/173039512.db2.gz ZDVXCFPUDGMJII-JTQLQIEISA-N 1 1 236.290 2.106 40 0 BEABMO C[N@H+]1C[C@@H]2Cc3ccc(O)cc3[C@@](C)(C2)C1 ZINC000001566231 173190744 /nfs/dbraw/zinc/19/07/44/173190744.db2.gz CGKYCWJVDWFBSM-YGRLFVJLSA-N 1 1 217.312 2.158 40 0 BEABMO C[N@H+]1C[C@H]2Cc3ccc(O)cc3[C@](C)(C2)C1 ZINC000005492770 173199167 /nfs/dbraw/zinc/19/91/67/173199167.db2.gz CGKYCWJVDWFBSM-IINYFYTJSA-N 1 1 217.312 2.158 40 0 BEABMO COCCCn1c(C)[nH+]c2cc(C)c(N)cc21 ZINC000223770655 174266558 /nfs/dbraw/zinc/26/65/58/174266558.db2.gz DBBBHTYFMARGNV-UHFFFAOYSA-N 1 1 233.315 2.272 40 0 BEABMO COCC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000072357061 174308422 /nfs/dbraw/zinc/30/84/22/174308422.db2.gz HSDVWVSEQUZCAP-LLVKDONJSA-N 1 1 240.372 2.044 40 0 BEABMO COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2N)cc1 ZINC000218856410 175091264 /nfs/dbraw/zinc/09/12/64/175091264.db2.gz PHQGZTBHYWLDBZ-LSDHHAIUSA-N 1 1 248.370 2.097 40 0 BEABMO COc1ccc([C@H]2CNCC[N@@H+]2C(C)C)cc1 ZINC000077369921 175195390 /nfs/dbraw/zinc/19/53/90/175195390.db2.gz DKBLZPOXUPBSLH-CQSZACIVSA-N 1 1 234.343 2.050 40 0 BEABMO COc1ccc([C@H]2CNCC[N@H+]2C(C)C)cc1 ZINC000077369921 175195392 /nfs/dbraw/zinc/19/53/92/175195392.db2.gz DKBLZPOXUPBSLH-CQSZACIVSA-N 1 1 234.343 2.050 40 0 BEABMO COc1cccc(Nc2cc(C)[nH+]c(N)n2)c1 ZINC000049468248 175280682 /nfs/dbraw/zinc/28/06/82/175280682.db2.gz UQTRAWKSOJFBEO-UHFFFAOYSA-N 1 1 230.271 2.119 40 0 BEABMO COc1cccc([C@H](CN)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000022222377 175294246 /nfs/dbraw/zinc/29/42/46/175294246.db2.gz AEZAJJACDUCXGH-DOMZBBRYSA-N 1 1 248.370 2.427 40 0 BEABMO COc1cccc([C@H](CN)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000022222377 175294248 /nfs/dbraw/zinc/29/42/48/175294248.db2.gz AEZAJJACDUCXGH-DOMZBBRYSA-N 1 1 248.370 2.427 40 0 BEABMO C[C@@H](c1ccc(F)cc1)[N@@H+](CCO)C1CC1 ZINC000079421190 176016078 /nfs/dbraw/zinc/01/60/78/176016078.db2.gz VLJHWQVPIWVCTR-JTQLQIEISA-N 1 1 223.291 2.343 40 0 BEABMO C[C@@H]1CCCN(C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000019202608 176099487 /nfs/dbraw/zinc/09/94/87/176099487.db2.gz KLFHRQOZJWCFOI-CHWSQXEVSA-N 1 1 210.365 2.408 40 0 BEABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1F ZINC000019575788 177280019 /nfs/dbraw/zinc/28/00/19/177280019.db2.gz NZRKNMWYVXNMMZ-JSGCOSHPSA-N 1 1 248.345 2.494 40 0 BEABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccsc1 ZINC000072324464 177280361 /nfs/dbraw/zinc/28/03/61/177280361.db2.gz OENMGDLWRDXQIX-WCQYABFASA-N 1 1 236.384 2.417 40 0 BEABMO C[C@@H](C[N@@H+]1CCNC[C@@H]1C)c1ccccc1 ZINC000083349523 177284228 /nfs/dbraw/zinc/28/42/28/177284228.db2.gz PFCGFSCWLYDURJ-STQMWFEESA-N 1 1 218.344 2.084 40 0 BEABMO C[C@@H](C[N@H+]1CCNC[C@@H]1C)c1ccccc1 ZINC000083349523 177284229 /nfs/dbraw/zinc/28/42/29/177284229.db2.gz PFCGFSCWLYDURJ-STQMWFEESA-N 1 1 218.344 2.084 40 0 BEABMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@]1(O)Cc1ccccc1 ZINC000004128449 177352722 /nfs/dbraw/zinc/35/27/22/177352722.db2.gz YSGPBYGQFUGPJJ-VNHYZAJKSA-N 1 1 233.355 2.320 40 0 BEABMO CC[C@@H](C)[C@@H]([NH2+]C)C(=O)OCc1ccccc1 ZINC000098044085 487715681 /nfs/dbraw/zinc/71/56/81/487715681.db2.gz ATJJWXDHFSKJKM-DGCLKSJQSA-N 1 1 235.327 2.364 40 0 BEABMO CC(C)n1cc(C[NH2+]Cc2ccco2)cn1 ZINC000073739575 519955080 /nfs/dbraw/zinc/95/50/80/519955080.db2.gz VOWFUDZSXQMOBI-UHFFFAOYSA-N 1 1 219.288 2.347 40 0 BEABMO C/C=C\C(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000033851101 187321387 /nfs/dbraw/zinc/32/13/87/187321387.db2.gz BYZXGBSVTUJAKJ-VAUITZSSSA-N 1 1 237.343 2.370 40 0 biogenic BEABMO Cc1cc(F)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC000038539812 178084999 /nfs/dbraw/zinc/08/49/99/178084999.db2.gz DOPXEIPYVQYVPR-ZDUSSCGKSA-N 1 1 223.291 2.091 40 0 BEABMO Cc1cc(N(C)C)cc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000257300701 178094972 /nfs/dbraw/zinc/09/49/72/178094972.db2.gz RVJMLTOQBUEDTH-GFCCVEGCSA-N 1 1 233.359 2.265 40 0 BEABMO Cc1cc(N(C)C)cc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000257300701 178094974 /nfs/dbraw/zinc/09/49/74/178094974.db2.gz RVJMLTOQBUEDTH-GFCCVEGCSA-N 1 1 233.359 2.265 40 0 BEABMO CCC[C@H]([C@@H](CC)CN(C)C)[NH+](C)C ZINC000001662275 342707432 /nfs/dbraw/zinc/70/74/32/342707432.db2.gz SJLKSOZBYOLBNB-NWDGAFQWSA-N 1 1 200.370 2.305 40 0 BEABMO CCCCC[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000005203236 342760263 /nfs/dbraw/zinc/76/02/63/342760263.db2.gz JCVNEDPQGZFHAT-GFCCVEGCSA-N 1 1 242.363 2.339 40 0 BEABMO Cc1ccc(CN[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000218854575 398328981 /nfs/dbraw/zinc/32/89/81/398328981.db2.gz ONBQDJOJQCEANE-UONOGXRCSA-N 1 1 218.344 2.355 40 0 BEABMO Fc1ccc([C@@]23CCC[N@@H+]2CCCN3)cc1 ZINC000019329206 342945981 /nfs/dbraw/zinc/94/59/81/342945981.db2.gz IBGMNLQEZMKMKB-CYBMUJFWSA-N 1 1 220.291 2.068 40 0 BEABMO Fc1ccc([C@@]23CCC[N@H+]2CCCN3)cc1 ZINC000019329206 342945982 /nfs/dbraw/zinc/94/59/82/342945982.db2.gz IBGMNLQEZMKMKB-CYBMUJFWSA-N 1 1 220.291 2.068 40 0 BEABMO C1COC(N[C@H]2CCC[C@H]3CCCC[C@@H]32)=[NH+]1 ZINC000005190182 187247813 /nfs/dbraw/zinc/24/78/13/187247813.db2.gz ARGKDOYQHZOQEK-WOPDTQHZSA-N 1 1 222.332 2.321 40 0 BEABMO CCO[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000031723602 343223450 /nfs/dbraw/zinc/22/34/50/343223450.db2.gz YWRASIOTKRNTBJ-CQSZACIVSA-N 1 1 235.327 2.096 40 0 BEABMO CC(C)[N@@H+](CCO)Cc1ccc(F)cc1 ZINC000049824733 187270547 /nfs/dbraw/zinc/27/05/47/187270547.db2.gz OXYPFZHNYHDAOA-UHFFFAOYSA-N 1 1 211.280 2.028 40 0 BEABMO C[N@H+]1CCC[C@@H](C(=O)NC2CCCCCC2)C1 ZINC000082317354 187281957 /nfs/dbraw/zinc/28/19/57/187281957.db2.gz KUIQQBKDGDLPQQ-GFCCVEGCSA-N 1 1 238.375 2.167 40 0 BEABMO Nc1cccc(C2=N[C@@H]3C=CC=C[C@H]3[NH+]=C2)c1 ZINC000000169287 344586862 /nfs/dbraw/zinc/58/68/62/344586862.db2.gz NXWUUVBGDHHZDU-CHWSQXEVSA-N 1 1 223.279 2.006 40 0 BEABMO Cc1cccc(CN2CCC([NH3+])CC2)c1C ZINC000038539506 179074072 /nfs/dbraw/zinc/07/40/72/179074072.db2.gz CDSYCALTUHZQRA-UHFFFAOYSA-N 1 1 218.344 2.227 40 0 BEABMO Cc1ccccc1CNCCC[NH+](C)C ZINC000016362697 179280519 /nfs/dbraw/zinc/28/05/19/179280519.db2.gz VKJMYNDNJWPZBX-UHFFFAOYSA-N 1 1 206.333 2.036 40 0 BEABMO Cc1ccccc1C[NH2+]CCCN(C)C ZINC000016362697 179280521 /nfs/dbraw/zinc/28/05/21/179280521.db2.gz VKJMYNDNJWPZBX-UHFFFAOYSA-N 1 1 206.333 2.036 40 0 BEABMO CC(C)(C)OC(=O)[C@@]1([NH3+])C[C@H]1c1ccccc1 ZINC000253179821 348246177 /nfs/dbraw/zinc/24/61/77/348246177.db2.gz BWHFMXFCBHHMIA-SMDDNHRTSA-N 1 1 233.311 2.213 40 0 BEABMO Cc1nccc([C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000072350797 180207602 /nfs/dbraw/zinc/20/76/02/180207602.db2.gz SEOHCZWTMQGHPF-CYBMUJFWSA-N 1 1 231.343 2.374 40 0 BEABMO CC[NH+](CC)[C@H](C)C(=O)c1ccc2c(c1)OCO2 ZINC000222378700 350914559 /nfs/dbraw/zinc/91/45/59/350914559.db2.gz DWARVNWIBRHVMQ-SNVBAGLBSA-N 1 1 249.310 2.328 40 0 in-vitro BEABMO CC(C)(C)c1nnc([C@@H]2CCCC[NH2+]2)o1 ZINC000083289375 188295133 /nfs/dbraw/zinc/29/51/33/188295133.db2.gz FRMHPPFYNMGWHC-QMMMGPOBSA-N 1 1 209.293 2.182 40 0 BEABMO CNc1nccnc1[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000072361356 188306634 /nfs/dbraw/zinc/30/66/34/188306634.db2.gz UMNLONUFXOGMRG-LBPRGKRZSA-N 1 1 246.358 2.108 40 0 BEABMO C[C@H]1Nc2[nH+]cccc2N[C@@H]2CCCC(=O)[C@@H]21 ZINC000045027514 188326023 /nfs/dbraw/zinc/32/60/23/188326023.db2.gz YTKGZSXXSXNMIT-KBVBSXBZSA-N 1 1 231.299 2.045 40 0 BEABMO CC(=O)N1CCCC[C@H]1c1c[nH+]c(N)c(C)c1 ZINC000072218474 259529749 /nfs/dbraw/zinc/52/97/49/259529749.db2.gz GRPQKKMQNBDSGS-LBPRGKRZSA-N 1 1 233.315 2.046 40 0 BEABMO C1CCC([N@H+]2CCN[C@H]3CCCC[C@@H]32)C1 ZINC000225711499 259540682 /nfs/dbraw/zinc/54/06/82/259540682.db2.gz ZWKJNDZNZSTNMG-STQMWFEESA-N 1 1 208.349 2.145 40 0 BEABMO O=Cc1ccc(C[NH+]2CCCC2)c(F)c1 ZINC000095738933 182868170 /nfs/dbraw/zinc/86/81/70/182868170.db2.gz FOAWUXYBDBSTKD-UHFFFAOYSA-N 1 1 207.248 2.234 40 0 BEABMO OCC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000048065472 183067858 /nfs/dbraw/zinc/06/78/58/183067858.db2.gz WIYBLXNTQXGJAY-UHFFFAOYSA-N 1 1 225.719 2.297 40 0 BEABMO OCC[N@@H+](Cc1ccccc1Cl)C1CC1 ZINC000048065323 183070510 /nfs/dbraw/zinc/07/05/10/183070510.db2.gz BPVYWFWJIDTCEK-UHFFFAOYSA-N 1 1 225.719 2.297 40 0 BEABMO OC[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000013568177 183148781 /nfs/dbraw/zinc/14/87/81/183148781.db2.gz KRIDCXMQJUMNJH-LBPRGKRZSA-N 1 1 244.338 2.372 40 0 BEABMO O[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000038539823 183193261 /nfs/dbraw/zinc/19/32/61/183193261.db2.gz YANFDJBNMUHPSY-LLVKDONJSA-N 1 1 243.709 2.436 40 0 BEABMO O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000038539823 183193264 /nfs/dbraw/zinc/19/32/64/183193264.db2.gz YANFDJBNMUHPSY-LLVKDONJSA-N 1 1 243.709 2.436 40 0 BEABMO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000043367777 183250231 /nfs/dbraw/zinc/25/02/31/183250231.db2.gz YVSFZFJTNXEQJG-LLVKDONJSA-N 1 1 245.244 2.186 40 0 BEABMO O[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000038539833 183235436 /nfs/dbraw/zinc/23/54/36/183235436.db2.gz YANFDJBNMUHPSY-NSHDSACASA-N 1 1 243.709 2.436 40 0 BEABMO O[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000038539833 183235439 /nfs/dbraw/zinc/23/54/39/183235439.db2.gz YANFDJBNMUHPSY-NSHDSACASA-N 1 1 243.709 2.436 40 0 BEABMO O[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000004202941 183236077 /nfs/dbraw/zinc/23/60/77/183236077.db2.gz DIIHLEFTHZLGSR-ZDUSSCGKSA-N 1 1 205.301 2.033 40 0 BEABMO Oc1cnc2c(c1)C[N@@H+](Cc1ccccc1)CC2 ZINC000095097383 183304971 /nfs/dbraw/zinc/30/49/71/183304971.db2.gz HCPCPXTYFIXVOA-UHFFFAOYSA-N 1 1 240.306 2.346 40 0 BEABMO Oc1cnc2c(c1)C[N@H+](Cc1ccccc1)CC2 ZINC000095097383 183304973 /nfs/dbraw/zinc/30/49/73/183304973.db2.gz HCPCPXTYFIXVOA-UHFFFAOYSA-N 1 1 240.306 2.346 40 0 BEABMO CCC[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC000096255117 169208814 /nfs/dbraw/zinc/20/88/14/169208814.db2.gz XLHUOGREMKSUGX-UHFFFAOYSA-N 1 1 231.343 2.165 40 0 BEABMO c1cc([C@H]2C[N@H+](C3CCCCC3)CCO2)ncn1 ZINC000072381191 183364403 /nfs/dbraw/zinc/36/44/03/183364403.db2.gz OIUOZLVJQDFCHT-CQSZACIVSA-N 1 1 247.342 2.183 40 0 BEABMO c1cc([C@H]2C[N@@H+](C3CCCCC3)CCO2)ncn1 ZINC000072381191 183364407 /nfs/dbraw/zinc/36/44/07/183364407.db2.gz OIUOZLVJQDFCHT-CQSZACIVSA-N 1 1 247.342 2.183 40 0 BEABMO CN(C)CCC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000001676229 383920995 /nfs/dbraw/zinc/92/09/95/383920995.db2.gz KPIFYCALUBLAEA-STQMWFEESA-N 1 1 210.365 2.060 40 0 BEABMO CC(=O)c1cccc(Nc2cc(C)[nH+]c(N)n2)c1 ZINC000005160171 384102978 /nfs/dbraw/zinc/10/29/78/384102978.db2.gz ADTBYKSPVPWUCT-UHFFFAOYSA-N 1 1 242.282 2.313 40 0 BEABMO C[C@H](C[N@@H+]1CCNC[C@@H]1C)c1ccccc1 ZINC000071978859 384190760 /nfs/dbraw/zinc/19/07/60/384190760.db2.gz PFCGFSCWLYDURJ-OLZOCXBDSA-N 1 1 218.344 2.084 40 0 BEABMO C[C@H](C[N@H+]1CCNC[C@@H]1C)c1ccccc1 ZINC000071978859 384190762 /nfs/dbraw/zinc/19/07/62/384190762.db2.gz PFCGFSCWLYDURJ-OLZOCXBDSA-N 1 1 218.344 2.084 40 0 BEABMO O=C1CN(c2ccccc2)c2cc[nH+]cc2N1 ZINC000092512447 384195976 /nfs/dbraw/zinc/19/59/76/384195976.db2.gz YTIXRIAFFOHKLL-UHFFFAOYSA-N 1 1 225.251 2.172 40 0 BEABMO CNc1cc(C[C@@H]2CCC[N@H+](C(C)C)C2)ncn1 ZINC000072356988 384210241 /nfs/dbraw/zinc/21/02/41/384210241.db2.gz ANCBIONJYYCODZ-LBPRGKRZSA-N 1 1 248.374 2.181 40 0 BEABMO c1cc(C2CC[NH+](Cc3cccnc3)CC2)[nH]n1 ZINC000072351187 384210711 /nfs/dbraw/zinc/21/07/11/384210711.db2.gz MKOWSSJVMBNRLT-UHFFFAOYSA-N 1 1 242.326 2.184 40 0 BEABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000072357080 384210819 /nfs/dbraw/zinc/21/08/19/384210819.db2.gz HLXNNVLALVNKFG-CYBMUJFWSA-N 1 1 242.326 2.450 40 0 BEABMO Cc1c[nH]nc1[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000072357080 384210824 /nfs/dbraw/zinc/21/08/24/384210824.db2.gz HLXNNVLALVNKFG-CYBMUJFWSA-N 1 1 242.326 2.450 40 0 BEABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000072357079 384211213 /nfs/dbraw/zinc/21/12/13/384211213.db2.gz HLXNNVLALVNKFG-ZDUSSCGKSA-N 1 1 242.326 2.450 40 0 BEABMO Cc1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000072357079 384211219 /nfs/dbraw/zinc/21/12/19/384211219.db2.gz HLXNNVLALVNKFG-ZDUSSCGKSA-N 1 1 242.326 2.450 40 0 BEABMO Cc1cncnc1[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000072361347 384212949 /nfs/dbraw/zinc/21/29/49/384212949.db2.gz CLSYORIRJMMJNO-CYBMUJFWSA-N 1 1 231.343 2.374 40 0 BEABMO CC(C)CC(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000096227871 384446177 /nfs/dbraw/zinc/44/61/77/384446177.db2.gz ICNKTRTUGCEFRS-UHFFFAOYSA-N 1 1 238.375 2.119 40 0 BEABMO COCc1cnc2n1CC[N@H+](C1CCCC1)[C@H]2C ZINC000096109597 384435673 /nfs/dbraw/zinc/43/56/73/384435673.db2.gz GFHLIUZXOCVJSK-NSHDSACASA-N 1 1 249.358 2.349 40 0 BEABMO COCc1cnc2n1CC[N@@H+](C1CCCC1)[C@H]2C ZINC000096109597 384435676 /nfs/dbraw/zinc/43/56/76/384435676.db2.gz GFHLIUZXOCVJSK-NSHDSACASA-N 1 1 249.358 2.349 40 0 BEABMO CN(C)[C@H]1[C@H]2CC[C@@](C)([C@@H]1[NH+](C)C)C2(C)C ZINC000138907091 384594427 /nfs/dbraw/zinc/59/44/27/384594427.db2.gz WWHMPEUSLLXFGZ-CZXHOFHRSA-N 1 1 224.392 2.303 40 0 BEABMO CC(C)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000084400580 384699147 /nfs/dbraw/zinc/69/91/47/384699147.db2.gz JKKGYJZRDNQMOF-CQSZACIVSA-N 1 1 219.328 2.279 40 0 BEABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(N)nc1 ZINC000072212362 385075724 /nfs/dbraw/zinc/07/57/24/385075724.db2.gz QYUXEAIYHUXLDR-NSHDSACASA-N 1 1 205.305 2.209 40 0 BEABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc[nH]c1=O ZINC000072212305 385076489 /nfs/dbraw/zinc/07/64/89/385076489.db2.gz JSIOOQLHXJQQKO-LLVKDONJSA-N 1 1 206.289 2.333 40 0 BEABMO CN(C)c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072212611 385080239 /nfs/dbraw/zinc/08/02/39/385080239.db2.gz BXPINGFIPDUQQY-LBPRGKRZSA-N 1 1 219.332 2.304 40 0 BEABMO CSc1ncc(C[NH2+]Cc2ccco2)cn1 ZINC000062717238 385035498 /nfs/dbraw/zinc/03/54/98/385035498.db2.gz XRQLQZGOJOWAHV-UHFFFAOYSA-N 1 1 235.312 2.081 40 0 BEABMO OCCc1ccc(NCc2ccccc2)[nH+]c1 ZINC000072225360 385112623 /nfs/dbraw/zinc/11/26/23/385112623.db2.gz LCUGHFRWFHNTHF-UHFFFAOYSA-N 1 1 228.295 2.229 40 0 BEABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@@H](C)O ZINC000072223497 385113888 /nfs/dbraw/zinc/11/38/88/385113888.db2.gz BWGYQVJRCPBJOI-LLVKDONJSA-N 1 1 220.316 2.434 40 0 BEABMO Cc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccccc2)o1 ZINC000072227357 385123338 /nfs/dbraw/zinc/12/33/38/385123338.db2.gz UNDJYBILXHRWCS-OLZOCXBDSA-N 1 1 242.278 2.003 40 0 BEABMO COc1ccc([C@H]2CCC[N@H+]2C)c(C)n1 ZINC000072218062 385086746 /nfs/dbraw/zinc/08/67/46/385086746.db2.gz NIGJOFKDRUVRBO-LLVKDONJSA-N 1 1 206.289 2.165 40 0 BEABMO CC[N@H+]1CCC[C@H]1c1ccc(=O)[nH]c1C ZINC000072218192 385101847 /nfs/dbraw/zinc/10/18/47/385101847.db2.gz NKDMKHUZKDTOHC-NSHDSACASA-N 1 1 206.289 2.252 40 0 BEABMO Cc1nc(N(C)C)ccc1[C@H]1CCC[N@H+]1C ZINC000072218726 385104275 /nfs/dbraw/zinc/10/42/75/385104275.db2.gz SJPGJTJUEQWKSO-GFCCVEGCSA-N 1 1 219.332 2.223 40 0 BEABMO CSCC[C@@H](N)C[N@@H+](C)C1CCCCC1 ZINC000096523858 385267463 /nfs/dbraw/zinc/26/74/63/385267463.db2.gz KDYCGPHBOVVHAU-LLVKDONJSA-N 1 1 230.421 2.331 40 0 BEABMO CSCC[C@@H]([NH3+])CN(C)C1CCCCC1 ZINC000096523858 385267470 /nfs/dbraw/zinc/26/74/70/385267470.db2.gz KDYCGPHBOVVHAU-LLVKDONJSA-N 1 1 230.421 2.331 40 0 BEABMO FC1(c2ccc(Br)cc2)C[NH2+]C1 ZINC000257948898 385513983 /nfs/dbraw/zinc/51/39/83/385513983.db2.gz GZRCPTINNKAKKD-UHFFFAOYSA-N 1 1 230.080 2.217 40 0 BEABMO CCc1ccccc1CN1CCC([NH3+])CC1 ZINC000038539490 385668117 /nfs/dbraw/zinc/66/81/17/385668117.db2.gz IQPUEXOFYKQCLF-UHFFFAOYSA-N 1 1 218.344 2.172 40 0 BEABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000257237855 385755557 /nfs/dbraw/zinc/75/55/57/385755557.db2.gz HIMTWKHQLQMUCM-ZDUSSCGKSA-N 1 1 242.326 2.103 40 0 BEABMO CNc1cncc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257242019 385756207 /nfs/dbraw/zinc/75/62/07/385756207.db2.gz IARWSECSANASDI-NSHDSACASA-N 1 1 234.347 2.106 40 0 BEABMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257331404 385765439 /nfs/dbraw/zinc/76/54/39/385765439.db2.gz XSRVVUUKGUQBLT-ILXRZTDVSA-N 1 1 249.354 2.298 40 0 BEABMO FC(F)Cn1cc(C[NH2+]Cc2ccco2)cn1 ZINC000256050740 387858981 /nfs/dbraw/zinc/85/89/81/387858981.db2.gz GIAVLRRFCGEMOI-UHFFFAOYSA-N 1 1 241.241 2.031 40 0 BEABMO CC(C)c1cc(C[NH2+]Cc2ccco2)n(C)n1 ZINC000256052864 387860033 /nfs/dbraw/zinc/86/00/33/387860033.db2.gz OZEAXJZRPPKMQJ-UHFFFAOYSA-N 1 1 233.315 2.426 40 0 BEABMO CC(C)c1ccc([C@H]2C[N@@H+](C)C[C@H]2CO)cc1 ZINC000242592197 387907228 /nfs/dbraw/zinc/90/72/28/387907228.db2.gz OLZNQGPPDNVRMI-LSDHHAIUSA-N 1 1 233.355 2.448 40 0 BEABMO N[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000218853360 388392899 /nfs/dbraw/zinc/39/28/99/388392899.db2.gz MDLZPTBFVRHYHS-KBPBESRZSA-N 1 1 218.344 2.089 40 0 BEABMO [NH3+][C@H](c1nc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000095533378 388776409 /nfs/dbraw/zinc/77/64/09/388776409.db2.gz PNJPLGRBNURGHO-NSHDSACASA-N 1 1 240.266 2.113 40 0 BEABMO C[C@@H]1C[C@H](C)C[N@H+](c2ccc(N)cc2N)C1 ZINC000216767826 132250738 /nfs/dbraw/zinc/25/07/38/132250738.db2.gz UGCJLVZPBOHKRY-AOOOYVTPSA-N 1 1 219.332 2.333 40 0 BEABMO C[C@@H]1C[C@H](C)C[N@@H+](c2ccc(N)cc2N)C1 ZINC000216767826 132250739 /nfs/dbraw/zinc/25/07/39/132250739.db2.gz UGCJLVZPBOHKRY-AOOOYVTPSA-N 1 1 219.332 2.333 40 0 BEABMO C[C@H](C(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000033952517 398072495 /nfs/dbraw/zinc/07/24/95/398072495.db2.gz NIYQOTCYXGXMPI-SNVBAGLBSA-N 1 1 247.294 2.082 40 0 in-vitro BEABMO Cc1ccc([C@@H]([NH3+])CN2CCCC2)cc1 ZINC000019257809 410911439 /nfs/dbraw/zinc/91/14/39/410911439.db2.gz GCQBSMRUMWJULF-ZDUSSCGKSA-N 1 1 204.317 2.091 40 0 BEABMO CC1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000019821174 168182097 /nfs/dbraw/zinc/18/20/97/168182097.db2.gz VOGOMHDDDFSBNE-CQSZACIVSA-N 1 1 218.344 2.418 40 0 BEABMO CC[C@@](C)(C(=O)OC)[N@H+]1CCC[C@@H](C)C1 ZINC000022123474 171164066 /nfs/dbraw/zinc/16/40/66/171164066.db2.gz MGVMHLJMIWYJRP-PWSUYJOCSA-N 1 1 213.321 2.060 40 0 BEABMO C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000001667106 173008210 /nfs/dbraw/zinc/00/82/10/173008210.db2.gz JGAYLCZXGQAXQC-CHWSQXEVSA-N 1 1 205.301 2.204 40 0 BEABMO C[N@H+]1CC[C@H](c2nc3cc(F)ccc3[nH]2)C1 ZINC000049169006 173158354 /nfs/dbraw/zinc/15/83/54/173158354.db2.gz NQQIBYDITGGSFG-QMMMGPOBSA-N 1 1 219.263 2.121 40 0 biogenic,in-vitro BEABMO C[N@@H+]1CC[C@H](c2nc3ccc(F)cc3[nH]2)C1 ZINC000049169006 173158355 /nfs/dbraw/zinc/15/83/55/173158355.db2.gz NQQIBYDITGGSFG-QMMMGPOBSA-N 1 1 219.263 2.121 40 0 biogenic,in-vitro BEABMO C[N@H+]1CC[C@H](c2nc3ccc(F)cc3[nH]2)C1 ZINC000049169006 173158357 /nfs/dbraw/zinc/15/83/57/173158357.db2.gz NQQIBYDITGGSFG-QMMMGPOBSA-N 1 1 219.263 2.121 40 0 biogenic,in-vitro BEABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(Oc1ccccc1N)C2 ZINC000020351886 173206513 /nfs/dbraw/zinc/20/65/13/173206513.db2.gz PTJMOVQHNOPZQW-FOSCPWQOSA-N 1 1 232.327 2.273 40 0 BEABMO C[NH2+]CCCNCc1ccc(Cl)cc1 ZINC000057362411 173348845 /nfs/dbraw/zinc/34/88/45/173348845.db2.gz QHRHMKMBWUQUBB-UHFFFAOYSA-N 1 1 212.724 2.039 40 0 BEABMO COCc1cnc2n1CC[N@H+](C1CCCC1)[C@@H]2C ZINC000096109596 174636327 /nfs/dbraw/zinc/63/63/27/174636327.db2.gz GFHLIUZXOCVJSK-LLVKDONJSA-N 1 1 249.358 2.349 40 0 BEABMO COCc1cnc2n1CC[N@@H+](C1CCCC1)[C@@H]2C ZINC000096109596 174636329 /nfs/dbraw/zinc/63/63/29/174636329.db2.gz GFHLIUZXOCVJSK-LLVKDONJSA-N 1 1 249.358 2.349 40 0 BEABMO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2N)cc1 ZINC000218856483 175092810 /nfs/dbraw/zinc/09/28/10/175092810.db2.gz PHQGZTBHYWLDBZ-GJZGRUSLSA-N 1 1 248.370 2.097 40 0 BEABMO COc1ccc2nc([C@@H]3CCCC[NH2+]3)[nH]c2c1 ZINC000075629701 175201683 /nfs/dbraw/zinc/20/16/83/175201683.db2.gz IKDXGJAUCVXUIK-NSHDSACASA-N 1 1 231.299 2.386 40 0 BEABMO C[C@@H]1CCC[N@H+]1C[C@@H](CO)c1ccccc1 ZINC000016698209 176109003 /nfs/dbraw/zinc/10/90/03/176109003.db2.gz AYVQIOHOTIJXIA-OCCSQVGLSA-N 1 1 219.328 2.247 40 0 BEABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccs1 ZINC000072324616 176323167 /nfs/dbraw/zinc/32/31/67/176323167.db2.gz AUFZOEMMLVUAKW-VXGBXAGGSA-N 1 1 236.384 2.417 40 0 BEABMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@]1(O)Cc1ccccc1 ZINC000004128447 177387472 /nfs/dbraw/zinc/38/74/72/177387472.db2.gz YSGPBYGQFUGPJJ-IPYPFGDCSA-N 1 1 233.355 2.320 40 0 BEABMO Clc1cccc(CNC[C@@H]2CCC[NH2+]C2)c1 ZINC000072202842 487994279 /nfs/dbraw/zinc/99/42/79/487994279.db2.gz LXZUYDDWGZWIRD-GFCCVEGCSA-N 1 1 238.762 2.429 40 0 BEABMO CCC[N@@H+]1CC=C(Br)CC1 ZINC000079035094 519841937 /nfs/dbraw/zinc/84/19/37/519841937.db2.gz SWFUFWOTLOTEOD-UHFFFAOYSA-N 1 1 204.111 2.381 40 0 BEABMO C[NH+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000005319028 136215063 /nfs/dbraw/zinc/21/50/63/136215063.db2.gz BTHVQUROWYLBAH-UHFFFAOYSA-N 1 1 246.232 2.206 40 0 BEABMO Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)C1 ZINC000096311763 178067274 /nfs/dbraw/zinc/06/72/74/178067274.db2.gz MDKQATOBJXTWNJ-GFCCVEGCSA-N 1 1 225.719 2.215 40 0 BEABMO Cc1[nH]c(=O)ccc1[C@@H]1CCCC[N@@H+]1C ZINC000072218214 259318422 /nfs/dbraw/zinc/31/84/22/259318422.db2.gz OCWOREFOOKJVKG-NSHDSACASA-N 1 1 206.289 2.252 40 0 BEABMO Cc1cc(N)ncc1[C@@H]1CCCC[N@@H+]1C ZINC000072218514 259318439 /nfs/dbraw/zinc/31/84/39/259318439.db2.gz LIDDDKNOHGGGSW-NSHDSACASA-N 1 1 205.305 2.129 40 0 BEABMO CC[C@H](O)c1ccc(NC2CC2)[nH+]c1C ZINC000072224854 259321651 /nfs/dbraw/zinc/32/16/51/259321651.db2.gz ITWCEAPQDNUDDV-NSHDSACASA-N 1 1 206.289 2.408 40 0 BEABMO Cc1[nH+]c(N2CCCC2)ccc1[C@H](C)O ZINC000072224518 259321808 /nfs/dbraw/zinc/32/18/08/259321808.db2.gz XVIHAYGZLGXENK-JTQLQIEISA-N 1 1 206.289 2.044 40 0 BEABMO CC[C@@H](O)c1ccc(N2CCCC2)[nH+]c1C ZINC000072224520 259321886 /nfs/dbraw/zinc/32/18/86/259321886.db2.gz KPZOHTZBQRWSKJ-GFCCVEGCSA-N 1 1 220.316 2.434 40 0 BEABMO C[NH2+][C@@]1(c2ccccc2OC)CCCCC1=O ZINC000097758823 342838151 /nfs/dbraw/zinc/83/81/51/342838151.db2.gz OYAUVHORXFUVAJ-CQSZACIVSA-N 1 1 233.311 2.253 40 0 in-vitro BEABMO CC[N@@H+](C)CCc1c[nH]c2cccc(O)c12 ZINC000022000558 343032754 /nfs/dbraw/zinc/03/27/54/343032754.db2.gz ORWQBKPSGDRPPA-UHFFFAOYSA-N 1 1 218.300 2.368 40 0 in-vitro BEABMO C[C@H](C[NH+]1CCCC1)NCc1ccccc1 ZINC000022073590 343039492 /nfs/dbraw/zinc/03/94/92/343039492.db2.gz STPNJXDWCNEGFA-CYBMUJFWSA-N 1 1 218.344 2.261 40 0 BEABMO Cc1c(Cl)cccc1C[N@H+]1CC[C@H](O)C1 ZINC000038538745 343100263 /nfs/dbraw/zinc/10/02/63/343100263.db2.gz XHGADBVJTZEVFK-NSHDSACASA-N 1 1 225.719 2.215 40 0 BEABMO Nc1[nH]c2cc(OC(F)(F)F)ccc2[nH+]1 ZINC000034348584 343268308 /nfs/dbraw/zinc/26/83/08/343268308.db2.gz PKVNYLKKHHYCHH-UHFFFAOYSA-N 1 1 217.150 2.044 40 0 BEABMO Cc1nc(Nc2ccccc2F)cc(N)[nH+]1 ZINC000049467261 343599225 /nfs/dbraw/zinc/59/92/25/343599225.db2.gz FSYNHLQSOWMFFR-UHFFFAOYSA-N 1 1 218.235 2.250 40 0 BEABMO C(=C/c1ccccc1)\CCN[C@H]1CCC[NH2+]C1 ZINC000079439249 187281817 /nfs/dbraw/zinc/28/18/17/187281817.db2.gz ZXOMGXZWDRHMEO-ULYATVDSSA-N 1 1 230.355 2.432 40 0 BEABMO CC(C)[C@H]([NH3+])c1nc(-c2ccc(F)cc2)n[nH]1 ZINC000095534692 187287578 /nfs/dbraw/zinc/28/75/78/187287578.db2.gz NTQMZAIAUCPJTP-JTQLQIEISA-N 1 1 234.278 2.267 40 0 BEABMO CN1[C@@H]2CCCC[C@@H]2[N@H+](C)[C@@H]2CCCC[C@@H]21 ZINC000585681220 345909212 /nfs/dbraw/zinc/90/92/12/345909212.db2.gz LODHMOLPIMTBHV-LVEBTZEWSA-N 1 1 222.376 2.486 40 0 BEABMO Cc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1C ZINC000038539645 348703378 /nfs/dbraw/zinc/70/33/78/348703378.db2.gz QOJZFWVYXIRUNL-CQSZACIVSA-N 1 1 219.328 2.260 40 0 BEABMO C[NH+](C)Cc1nc(Cl)c2ccccc2n1 ZINC000003887549 363089239 /nfs/dbraw/zinc/08/92/39/363089239.db2.gz FOYZORGYMUFUBD-UHFFFAOYSA-N 1 1 221.691 2.345 40 0 BEABMO CC(C)[N@H+]1CCC[C@@H](c2csc(N)n2)C1 ZINC000072367739 188306613 /nfs/dbraw/zinc/30/66/13/188306613.db2.gz JGUBKXRVTUYDRL-SECBINFHSA-N 1 1 225.361 2.313 40 0 BEABMO CC(C)[C@@H]1CO[C@@]2(CC[N@H+](Cc3c[nH]cn3)C2)C1 ZINC000096072033 188321268 /nfs/dbraw/zinc/32/12/68/188321268.db2.gz RVPDKXPIDLLUSJ-JSGCOSHPSA-N 1 1 249.358 2.047 40 0 BEABMO CC(C)[C@@H]1CO[C@@]2(CC[N@@H+](Cc3c[nH]cn3)C2)C1 ZINC000096072033 188321270 /nfs/dbraw/zinc/32/12/70/188321270.db2.gz RVPDKXPIDLLUSJ-JSGCOSHPSA-N 1 1 249.358 2.047 40 0 BEABMO CC(C)=CCC[C@H](C)CN1CC[NH2+]CC1 ZINC000096024389 188321604 /nfs/dbraw/zinc/32/16/04/188321604.db2.gz JASACXKTGGBKTB-ZDUSSCGKSA-N 1 1 210.365 2.274 40 0 BEABMO C/C(=C\c1ccccc1)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367784375 188357208 /nfs/dbraw/zinc/35/72/08/188357208.db2.gz VGPRVUFZTAVCSP-MAARGPNZSA-N 1 1 243.350 2.260 40 0 BEABMO O=C1CC[NH+](C2(c3ccccc3)CC2)CC1 ZINC000144617760 356479423 /nfs/dbraw/zinc/47/94/23/356479423.db2.gz QUYYJXOIVVJUAU-UHFFFAOYSA-N 1 1 215.296 2.341 40 0 BEABMO CCO[C@@H]1CCC[C@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000450936125 202313681 /nfs/dbraw/zinc/31/36/81/202313681.db2.gz HEQOLZSFYDCZIU-GHMZBOCLSA-N 1 1 246.314 2.327 40 0 BEABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N)nc1 ZINC000072212363 259525622 /nfs/dbraw/zinc/52/56/22/259525622.db2.gz VHEOZDFBESXITP-LLVKDONJSA-N 1 1 205.305 2.211 40 0 BEABMO C[N@H+]1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215967 259528257 /nfs/dbraw/zinc/52/82/57/259528257.db2.gz GCXSQOZSCNDDKG-CYBMUJFWSA-N 1 1 231.343 2.449 40 0 BEABMO CNc1cc(C)c([C@@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072219033 259530148 /nfs/dbraw/zinc/53/01/48/259530148.db2.gz MHVSSHZAWYIUNK-LBPRGKRZSA-N 1 1 233.315 2.115 40 0 BEABMO O[C@@H]1CC[N@@H+](CC2CC2)[C@H]1Cc1ccccc1 ZINC000096061565 183199194 /nfs/dbraw/zinc/19/91/94/183199194.db2.gz QPATUZKXEXXOKR-LSDHHAIUSA-N 1 1 231.339 2.074 40 0 BEABMO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1ccccn1)CC2 ZINC000019401586 183218428 /nfs/dbraw/zinc/21/84/28/183218428.db2.gz RPRHYUWMVLXVKX-UKRRQHHQSA-N 1 1 246.354 2.209 40 0 BEABMO O[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000038539026 183239690 /nfs/dbraw/zinc/23/96/90/183239690.db2.gz JJSYMSMQHJJVSO-QMMMGPOBSA-N 1 1 229.682 2.046 40 0 BEABMO O[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000038539026 183239691 /nfs/dbraw/zinc/23/96/91/183239691.db2.gz JJSYMSMQHJJVSO-QMMMGPOBSA-N 1 1 229.682 2.046 40 0 BEABMO CCC[N@H+]1CCCC[C@H]1c1ccc(=O)[nH]c1 ZINC000068590743 169191366 /nfs/dbraw/zinc/19/13/66/169191366.db2.gz DHHLBVKLGLWDMJ-LBPRGKRZSA-N 1 1 220.316 2.312 40 0 BEABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(=O)[nH]c1 ZINC000068590739 169192083 /nfs/dbraw/zinc/19/20/83/169192083.db2.gz DHHLBVKLGLWDMJ-GFCCVEGCSA-N 1 1 220.316 2.312 40 0 BEABMO c1cc(-c2nc([C@@H]3CCCCC[NH2+]3)no2)ccn1 ZINC000135981487 183330711 /nfs/dbraw/zinc/33/07/11/183330711.db2.gz QELAJKPAJKWNTC-NSHDSACASA-N 1 1 244.298 2.336 40 0 BEABMO c1c[nH]c(C[N@@H+]2CCC[C@H](c3ccncc3)C2)n1 ZINC000072357396 183362012 /nfs/dbraw/zinc/36/20/12/183362012.db2.gz NHXMHEGDVCVISO-ZDUSSCGKSA-N 1 1 242.326 2.184 40 0 BEABMO c1c[nH]c(C[N@H+]2CCC[C@H](c3ccncc3)C2)n1 ZINC000072357396 183362016 /nfs/dbraw/zinc/36/20/16/183362016.db2.gz NHXMHEGDVCVISO-ZDUSSCGKSA-N 1 1 242.326 2.184 40 0 BEABMO c1cc([C@@H]2C[N@H+](C3CCCCC3)CCO2)ncn1 ZINC000072381190 183362443 /nfs/dbraw/zinc/36/24/43/183362443.db2.gz OIUOZLVJQDFCHT-AWEZNQCLSA-N 1 1 247.342 2.183 40 0 BEABMO c1cc([C@@H]2C[N@@H+](C3CCCCC3)CCO2)ncn1 ZINC000072381190 183362445 /nfs/dbraw/zinc/36/24/45/183362445.db2.gz OIUOZLVJQDFCHT-AWEZNQCLSA-N 1 1 247.342 2.183 40 0 BEABMO c1cc([C@H]2CC[N@H+](CCc3ccccc3)C2)n[nH]1 ZINC000072381575 183393047 /nfs/dbraw/zinc/39/30/47/183393047.db2.gz ZCWBNXPAYIFICZ-AWEZNQCLSA-N 1 1 241.338 2.442 40 0 BEABMO c1cc([C@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]n1 ZINC000072381575 183393049 /nfs/dbraw/zinc/39/30/49/183393049.db2.gz ZCWBNXPAYIFICZ-AWEZNQCLSA-N 1 1 241.338 2.442 40 0 BEABMO c1cc([C@H]2CC[N@H+](CCc3ccccc3)C2)[nH]n1 ZINC000072381575 183393054 /nfs/dbraw/zinc/39/30/54/183393054.db2.gz ZCWBNXPAYIFICZ-AWEZNQCLSA-N 1 1 241.338 2.442 40 0 BEABMO CCC[NH2+]Cc1nc2ccc(OC)cc2[nH]1 ZINC000022122088 169269813 /nfs/dbraw/zinc/26/98/13/169269813.db2.gz RKJJCYNCLRRQSN-UHFFFAOYSA-N 1 1 219.288 2.071 40 0 BEABMO CCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000039102098 384102833 /nfs/dbraw/zinc/10/28/33/384102833.db2.gz OHOMUNSUEHHNHS-UHFFFAOYSA-N 1 1 218.344 2.390 40 0 BEABMO C[N@H+]1CCC[C@@H](Cc2nccnc2Cl)CC1 ZINC000072343825 384208303 /nfs/dbraw/zinc/20/83/03/384208303.db2.gz VYLMKMITNSQVIS-SNVBAGLBSA-N 1 1 239.750 2.404 40 0 BEABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000072357067 384210676 /nfs/dbraw/zinc/21/06/76/384210676.db2.gz SRMWGQMRZATEQL-ZDUSSCGKSA-N 1 1 242.326 2.450 40 0 BEABMO Cc1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1ccncc1 ZINC000072357067 384210680 /nfs/dbraw/zinc/21/06/80/384210680.db2.gz SRMWGQMRZATEQL-ZDUSSCGKSA-N 1 1 242.326 2.450 40 0 BEABMO C[N@H+]1CCC[C@@H](Cc2ccc(Cl)nn2)C1 ZINC000072363350 384214963 /nfs/dbraw/zinc/21/49/63/384214963.db2.gz LPIPZUYOUQPPNJ-VIFPVBQESA-N 1 1 225.723 2.014 40 0 BEABMO c1nc2c(c(C3CC3)n1)CC[N@@H+](CC1CC1)CC2 ZINC000096255120 384447148 /nfs/dbraw/zinc/44/71/48/384447148.db2.gz BRDURVFCGHBCPH-UHFFFAOYSA-N 1 1 243.354 2.165 40 0 BEABMO Cc1c[nH+]c(N2CCCC[C@@H]2C)c(N)c1 ZINC000085425096 384521845 /nfs/dbraw/zinc/52/18/45/384521845.db2.gz WZVOZBKADGDIQG-JTQLQIEISA-N 1 1 205.305 2.351 40 0 BEABMO CC[C@H]1CCCC[N@H+]1Cc1cc(N)nn1CC ZINC000408716928 384703950 /nfs/dbraw/zinc/70/39/50/384703950.db2.gz SSQJNHYVMSQKFX-NSHDSACASA-N 1 1 236.363 2.080 40 0 BEABMO CCc1ccc(CNCCC[NH+](C)C)cc1 ZINC000057322207 384937983 /nfs/dbraw/zinc/93/79/83/384937983.db2.gz LNSUYARIFJKYCF-UHFFFAOYSA-N 1 1 220.360 2.290 40 0 BEABMO CCc1ccc(C[NH2+]CCCN(C)C)cc1 ZINC000057322207 384937992 /nfs/dbraw/zinc/93/79/92/384937992.db2.gz LNSUYARIFJKYCF-UHFFFAOYSA-N 1 1 220.360 2.290 40 0 BEABMO COc1ccc([C@@H]2CCC[N@H+]2C)c(C)n1 ZINC000072218061 385086719 /nfs/dbraw/zinc/08/67/19/385086719.db2.gz NIGJOFKDRUVRBO-NSHDSACASA-N 1 1 206.289 2.165 40 0 BEABMO CCO[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000031723600 385099583 /nfs/dbraw/zinc/09/95/83/385099583.db2.gz YWRASIOTKRNTBJ-AWEZNQCLSA-N 1 1 235.327 2.096 40 0 BEABMO Cc1[nH+]c(N(C)C)ccc1[C@H]1CCCCN1C=O ZINC000072218773 385105074 /nfs/dbraw/zinc/10/50/74/385105074.db2.gz AKRWLFVNDNQUMP-CYBMUJFWSA-N 1 1 247.342 2.139 40 0 BEABMO CCOc1cccc(-c2cnc(C[NH3+])o2)c1 ZINC000072220116 385106714 /nfs/dbraw/zinc/10/67/14/385106714.db2.gz JBZOZAFIHXCZLX-UHFFFAOYSA-N 1 1 218.256 2.199 40 0 BEABMO CCCC[N@H+]1CCCC[C@H]1C(=O)OCC ZINC000033609413 385254420 /nfs/dbraw/zinc/25/44/20/385254420.db2.gz OAAXEKNPTNLHID-NSHDSACASA-N 1 1 213.321 2.204 40 0 BEABMO C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000036810194 385571720 /nfs/dbraw/zinc/57/17/20/385571720.db2.gz RSFGURGCIUVVEK-ILXRZTDVSA-N 1 1 236.403 2.498 40 0 BEABMO C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000036810194 385571721 /nfs/dbraw/zinc/57/17/21/385571721.db2.gz RSFGURGCIUVVEK-ILXRZTDVSA-N 1 1 236.403 2.498 40 0 BEABMO CNc1cncc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257242018 385755509 /nfs/dbraw/zinc/75/55/09/385755509.db2.gz IARWSECSANASDI-LLVKDONJSA-N 1 1 234.347 2.106 40 0 BEABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC000257258678 385757235 /nfs/dbraw/zinc/75/72/35/385757235.db2.gz KVBQUYVWQREMIB-GFCCVEGCSA-N 1 1 219.332 2.308 40 0 BEABMO Cc1c[nH]c([C@@H]2CCN(c3ccccn3)C2)[nH+]1 ZINC000257276712 385758017 /nfs/dbraw/zinc/75/80/17/385758017.db2.gz NUVRAZTWFRGQGM-LLVKDONJSA-N 1 1 228.299 2.107 40 0 BEABMO C[C@@H](F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261506719 385816091 /nfs/dbraw/zinc/81/60/91/385816091.db2.gz AILCJMUBAAZTJT-DGCLKSJQSA-N 1 1 223.291 2.245 40 0 BEABMO C[C@@H](F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261506719 385816094 /nfs/dbraw/zinc/81/60/94/385816094.db2.gz AILCJMUBAAZTJT-DGCLKSJQSA-N 1 1 223.291 2.245 40 0 BEABMO C[C@H](F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261506718 385816195 /nfs/dbraw/zinc/81/61/95/385816195.db2.gz AILCJMUBAAZTJT-AAEUAGOBSA-N 1 1 223.291 2.245 40 0 BEABMO C[C@H](F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261506718 385816196 /nfs/dbraw/zinc/81/61/96/385816196.db2.gz AILCJMUBAAZTJT-AAEUAGOBSA-N 1 1 223.291 2.245 40 0 BEABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC1 ZINC000225384402 386188859 /nfs/dbraw/zinc/18/88/59/386188859.db2.gz HIRKOULGQKHKOO-ZDUSSCGKSA-N 1 1 238.375 2.167 40 0 BEABMO CCn1cnc(C[NH2+]Cc2ccccc2)c1 ZINC000575415014 387023686 /nfs/dbraw/zinc/02/36/86/387023686.db2.gz HMKUZSPEAMZIOW-UHFFFAOYSA-N 1 1 215.300 2.193 40 0 BEABMO Cc1csc([C@@H]([NH3+])c2ccccc2)n1 ZINC000058376829 388009725 /nfs/dbraw/zinc/00/97/25/388009725.db2.gz TUHLDLXNTQTBCO-JTQLQIEISA-N 1 1 204.298 2.500 40 0 BEABMO C[N@H+]1C[C@@H](c2cccc3ccccc32)[C@H](N)C1 ZINC000217661716 388379045 /nfs/dbraw/zinc/37/90/45/388379045.db2.gz ZFXMGGNUDJFQJW-LSDHHAIUSA-N 1 1 226.323 2.196 40 0 BEABMO C[N@@H+]1C[C@@H](c2cccc3ccccc32)[C@H](N)C1 ZINC000217661716 388379047 /nfs/dbraw/zinc/37/90/47/388379047.db2.gz ZFXMGGNUDJFQJW-LSDHHAIUSA-N 1 1 226.323 2.196 40 0 BEABMO c1ccn(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000226275352 388713894 /nfs/dbraw/zinc/71/38/94/388713894.db2.gz PZTGXPRIYWCQIX-UHFFFAOYSA-N 1 1 242.322 2.310 40 0 BEABMO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@H+](C)C2 ZINC000225487919 388718775 /nfs/dbraw/zinc/71/87/75/388718775.db2.gz CFBZHJZGTINRGK-LBPRGKRZSA-N 1 1 246.310 2.156 40 0 biogenic,in-vitro BEABMO CCCCCN1C[C@@H]2C[NH2+][C@@H](C)[C@@H](C2)C1 ZINC000095093776 388759233 /nfs/dbraw/zinc/75/92/33/388759233.db2.gz NRFXECJVXVXGFW-AVGNSLFASA-N 1 1 210.365 2.106 40 0 BEABMO C[C@@H]1C[C@H](C)CN(c2[nH+]cccc2N)C1 ZINC000020317216 132331081 /nfs/dbraw/zinc/33/10/81/132331081.db2.gz CWNKGXSVOUKHTA-AOOOYVTPSA-N 1 1 205.305 2.146 40 0 BEABMO C[C@@H](C(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000033952516 398072327 /nfs/dbraw/zinc/07/23/27/398072327.db2.gz NIYQOTCYXGXMPI-JTQLQIEISA-N 1 1 247.294 2.082 40 0 in-vitro BEABMO CC(C)Nc1[nH]nc2nc([C@@H]3CCC[NH2+]3)ccc21 ZINC000019695601 167148828 /nfs/dbraw/zinc/14/88/28/167148828.db2.gz PQHUWISIZFANOX-JTQLQIEISA-N 1 1 245.330 2.203 40 0 BEABMO CC1CCN(C[C@H]([NH3+])c2ccccc2)CC1 ZINC000019821176 168182888 /nfs/dbraw/zinc/18/28/88/168182888.db2.gz VOGOMHDDDFSBNE-AWEZNQCLSA-N 1 1 218.344 2.418 40 0 BEABMO CCN1CC[C@]12CC[N@@H+](CCc1ccccc1)C2 ZINC000096075908 170023402 /nfs/dbraw/zinc/02/34/02/170023402.db2.gz ZQOAVMWMIOCHFC-INIZCTEOSA-N 1 1 244.382 2.399 40 0 BEABMO CC[N@@H+]1CC[C@]12CCN(CCc1ccccc1)C2 ZINC000096075908 170023403 /nfs/dbraw/zinc/02/34/03/170023403.db2.gz ZQOAVMWMIOCHFC-INIZCTEOSA-N 1 1 244.382 2.399 40 0 BEABMO CC[N@H+]1CC[C@]12CCN(CCc1ccccc1)C2 ZINC000096075908 170023404 /nfs/dbraw/zinc/02/34/04/170023404.db2.gz ZQOAVMWMIOCHFC-INIZCTEOSA-N 1 1 244.382 2.399 40 0 BEABMO CCOC(=O)CC[N@@H+](C)Cc1ccccc1 ZINC000034477637 170205036 /nfs/dbraw/zinc/20/50/36/170205036.db2.gz XMCDHJNMZJAIRF-UHFFFAOYSA-N 1 1 221.300 2.072 40 0 BEABMO CCOC(=O)CC[N@H+]1CCCC[C@H]1CC ZINC000037022149 170206302 /nfs/dbraw/zinc/20/63/02/170206302.db2.gz SJHABLQGMCNJEF-LLVKDONJSA-N 1 1 213.321 2.204 40 0 BEABMO CC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000084369187 171214879 /nfs/dbraw/zinc/21/48/79/171214879.db2.gz KYCYYTIPNGMWBT-CYBMUJFWSA-N 1 1 205.301 2.033 40 0 BEABMO CCn1ccc(C[NH2+]Cc2ccc(F)cc2)n1 ZINC000002536099 172201051 /nfs/dbraw/zinc/20/10/51/172201051.db2.gz XNTTUVLJLJDOOV-UHFFFAOYSA-N 1 1 233.290 2.332 40 0 BEABMO CCn1ccc(C[NH2+]Cc2ccccc2)n1 ZINC000002536093 172201661 /nfs/dbraw/zinc/20/16/61/172201661.db2.gz RILVZNHHWHCEEZ-UHFFFAOYSA-N 1 1 215.300 2.193 40 0 BEABMO CCn1nccc1C[NH2+]Cc1ccc(F)s1 ZINC000256052008 172270231 /nfs/dbraw/zinc/27/02/31/172270231.db2.gz LMYUJAMPJINUCN-UHFFFAOYSA-N 1 1 239.319 2.393 40 0 BEABMO C[N@H+]1CCC[C@H](Cc2cncc(Cl)n2)C1 ZINC000072363345 173040674 /nfs/dbraw/zinc/04/06/74/173040674.db2.gz ROHMWWWYKSJYLU-SECBINFHSA-N 1 1 225.723 2.014 40 0 BEABMO COc1cccc(CC[NH2+]CC(F)F)c1 ZINC000047474232 175252731 /nfs/dbraw/zinc/25/27/31/175252731.db2.gz MIGBFLFGVSNUJK-UHFFFAOYSA-N 1 1 215.243 2.092 40 0 BEABMO COc1ccccc1Nc1cc(C)[nH+]c(N)n1 ZINC000049468264 175339466 /nfs/dbraw/zinc/33/94/66/175339466.db2.gz QFGZVOFCSMGPTP-UHFFFAOYSA-N 1 1 230.271 2.119 40 0 BEABMO COc1ccccc1[C@H]([NH3+])c1ccccn1 ZINC000037466338 175353807 /nfs/dbraw/zinc/35/38/07/175353807.db2.gz ZJWYEBFUZYOBGI-ZDUSSCGKSA-N 1 1 214.268 2.138 40 0 BEABMO COc1ccccc1[C@H]1CNCC[N@@H+]1CC1CC1 ZINC000257224377 175355489 /nfs/dbraw/zinc/35/54/89/175355489.db2.gz FBOOTGMUNYRVRI-CQSZACIVSA-N 1 1 246.354 2.052 40 0 BEABMO COc1ccccc1[C@H]1CNCC[N@H+]1CC1CC1 ZINC000257224377 175355490 /nfs/dbraw/zinc/35/54/90/175355490.db2.gz FBOOTGMUNYRVRI-CQSZACIVSA-N 1 1 246.354 2.052 40 0 BEABMO C[C@@H]1C[N@@H+](C)CC[C@]12Cc1ccccc1O2 ZINC000309405183 176270343 /nfs/dbraw/zinc/27/03/43/176270343.db2.gz VKECLJQIARTGLQ-RISCZKNCSA-N 1 1 217.312 2.332 40 0 BEABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1F ZINC000019575158 176324616 /nfs/dbraw/zinc/32/46/16/176324616.db2.gz NZRKNMWYVXNMMZ-OCCSQVGLSA-N 1 1 248.345 2.494 40 0 BEABMO C[C@H]1C[N@@H+](C)CC[C@@]12Cc1ccccc1O2 ZINC000016698331 177234349 /nfs/dbraw/zinc/23/43/49/177234349.db2.gz VKECLJQIARTGLQ-SMDDNHRTSA-N 1 1 217.312 2.332 40 0 BEABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccsc1 ZINC000072324466 177280401 /nfs/dbraw/zinc/28/04/01/177280401.db2.gz OENMGDLWRDXQIX-AAEUAGOBSA-N 1 1 236.384 2.417 40 0 BEABMO C[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C1=CCC[N@H+]1CCO ZINC000004706115 177419305 /nfs/dbraw/zinc/41/93/05/177419305.db2.gz ZKIQIBMWSCOAME-NRWUCQMLSA-N 1 1 221.344 2.251 40 0 BEABMO CC[NH+](CC)CCNCc1cccc(OC)c1 ZINC000019919146 520686992 /nfs/dbraw/zinc/68/69/92/520686992.db2.gz NUDIHLZKQUGACI-UHFFFAOYSA-N 1 1 236.359 2.127 40 0 BEABMO CCN(CC)CC[NH2+]Cc1ccccc1F ZINC000019919631 520686811 /nfs/dbraw/zinc/68/68/11/520686811.db2.gz ZZXMTFNRSLOLST-UHFFFAOYSA-N 1 1 224.323 2.257 40 0 BEABMO CCOP(=O)(OCC)O[C@]1(C)CCC[NH2+]1 ZINC000002583538 978609550 /nfs/dbraw/zinc/60/95/50/978609550.db2.gz UTGYNNHVLXIXGN-SECBINFHSA-N 1 1 237.236 2.284 40 0 BEABMO CCC(CC)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096058563 168351651 /nfs/dbraw/zinc/35/16/51/168351651.db2.gz QPIGDWOZNNWOQA-OLZOCXBDSA-N 1 1 210.365 2.249 40 0 BEABMO Cc1cc(=O)cc([C@H]2CC[N@H+](C(C)C)C2)[nH]1 ZINC000072383190 178199094 /nfs/dbraw/zinc/19/90/94/178199094.db2.gz MZXVPKOHPVEWKP-NSHDSACASA-N 1 1 220.316 2.293 40 0 BEABMO Cc1cc2nc(CC[NH3+])[nH]c2cc1Cl ZINC000057340815 178277340 /nfs/dbraw/zinc/27/73/40/178277340.db2.gz GVJGLUGECKBVNK-UHFFFAOYSA-N 1 1 209.680 2.026 40 0 BEABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]c1 ZINC000072212255 259317581 /nfs/dbraw/zinc/31/75/81/259317581.db2.gz GZYHPKZQODSIQD-LLVKDONJSA-N 1 1 206.289 2.333 40 0 BEABMO CSc1cc(NCc2ccccc2)nc(N)[nH+]1 ZINC000001685084 342708925 /nfs/dbraw/zinc/70/89/25/342708925.db2.gz WEXZNYJEUMDKLL-UHFFFAOYSA-N 1 1 246.339 2.393 40 0 BEABMO Nc1[nH]c2ccc([C@@H](O)c3ccccc3)cc2[nH+]1 ZINC000005117383 342758502 /nfs/dbraw/zinc/75/85/02/342758502.db2.gz IUOONJFBASBHAA-ZDUSSCGKSA-N 1 1 239.278 2.227 40 0 in-vitro BEABMO Cc1ccc(NC(=O)C[NH+]2CCCCC2)c(N)c1 ZINC000008703609 342802944 /nfs/dbraw/zinc/80/29/44/342802944.db2.gz POIWRTITYZXTQU-UHFFFAOYSA-N 1 1 247.342 2.002 40 0 BEABMO Cc1ccc([C@H](O)CC[NH+]2CCOCC2)c(C)c1 ZINC000031938729 342792424 /nfs/dbraw/zinc/79/24/24/342792424.db2.gz NDQUWJCLZHVHBC-OAHLLOKOSA-N 1 1 249.354 2.059 40 0 BEABMO CC[C@@H](O)c1c[nH+]c(N2CCCC2)cc1C ZINC000072223476 259321567 /nfs/dbraw/zinc/32/15/67/259321567.db2.gz ZGXRAFQUUUKFJX-GFCCVEGCSA-N 1 1 220.316 2.434 40 0 BEABMO CC(C)c1ccc([C@H]2C[N@@H+](C)C[C@@H]2CO)cc1 ZINC000217671738 398322517 /nfs/dbraw/zinc/32/25/17/398322517.db2.gz OLZNQGPPDNVRMI-HUUCEWRRSA-N 1 1 233.355 2.448 40 0 BEABMO CC(C)[C@@]12C=CC=CC1=[NH+]C=C2CCO ZINC000036377993 187230261 /nfs/dbraw/zinc/23/02/61/187230261.db2.gz NQZYLESITKLIBQ-CYBMUJFWSA-N 1 1 203.285 2.476 40 0 BEABMO C[C@H](C(=O)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000035021126 343142629 /nfs/dbraw/zinc/14/26/29/343142629.db2.gz UYOUBVZNVDVMOA-SNVBAGLBSA-N 1 1 221.275 2.493 40 0 in-vitro BEABMO CC(=O)O[C@@]1(c2ccccc2)C[C@@H](C)C[N@@H+](C)C1 ZINC000004474745 187247300 /nfs/dbraw/zinc/24/73/00/187247300.db2.gz QSTBERFREDOMJD-DOMZBBRYSA-N 1 1 247.338 2.417 40 0 BEABMO C[C@@H](C[N@@H+]1CCCNCC1)c1ccccc1 ZINC000040240932 343399101 /nfs/dbraw/zinc/39/91/01/343399101.db2.gz WYPAWXHOCYERMM-ZDUSSCGKSA-N 1 1 218.344 2.085 40 0 BEABMO C[C@@H](C[N@H+]1CCCNCC1)c1ccccc1 ZINC000040240932 343399102 /nfs/dbraw/zinc/39/91/02/343399102.db2.gz WYPAWXHOCYERMM-ZDUSSCGKSA-N 1 1 218.344 2.085 40 0 BEABMO CC[NH+]1CCN(C(=O)c2ccc(C)cc2C)CC1 ZINC000046465739 343545705 /nfs/dbraw/zinc/54/57/05/343545705.db2.gz ZFEFWYVVOUFQOR-UHFFFAOYSA-N 1 1 246.354 2.081 40 0 BEABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2CC1CC1 ZINC000096055788 344366070 /nfs/dbraw/zinc/36/60/70/344366070.db2.gz IGMNDBYSIAALRP-UONOGXRCSA-N 1 1 222.376 2.201 40 0 BEABMO CC(C)CN1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC000096055788 344366072 /nfs/dbraw/zinc/36/60/72/344366072.db2.gz IGMNDBYSIAALRP-UONOGXRCSA-N 1 1 222.376 2.201 40 0 BEABMO CC(C)CN1CC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC000096055788 344366074 /nfs/dbraw/zinc/36/60/74/344366074.db2.gz IGMNDBYSIAALRP-UONOGXRCSA-N 1 1 222.376 2.201 40 0 BEABMO CCC[N@H+]1CCC[C@@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217959 344514194 /nfs/dbraw/zinc/51/41/94/344514194.db2.gz AGJVINAMUDZKQN-GFCCVEGCSA-N 1 1 220.316 2.230 40 0 BEABMO Nc1cccc(C2=N[C@H]3C=CC=C[C@H]3[NH+]=C2)c1 ZINC000000169281 344587146 /nfs/dbraw/zinc/58/71/46/344587146.db2.gz NXWUUVBGDHHZDU-OLZOCXBDSA-N 1 1 223.279 2.006 40 0 BEABMO Nc1cccc(C2=N[C@@H]3C=CC=C[C@@H]3[NH+]=C2)c1 ZINC000000169288 344587171 /nfs/dbraw/zinc/58/71/71/344587171.db2.gz NXWUUVBGDHHZDU-QWHCGFSZSA-N 1 1 223.279 2.006 40 0 BEABMO C[N@H+]1CCC[C@@H]1C[C@H]1CNc2cccc(O)c21 ZINC000504729502 530057844 /nfs/dbraw/zinc/05/78/44/530057844.db2.gz IEZDBJGTSJCFTD-WDEREUQCSA-N 1 1 232.327 2.386 40 0 BEABMO C[C@@H]1[C@H]2CC[N@@H+](C)[C@@H]1Cc1ccc(O)cc12 ZINC000005766169 346627061 /nfs/dbraw/zinc/62/70/61/346627061.db2.gz SVPZRQDNNLAJMW-GAJTVXKRSA-N 1 1 217.312 2.372 40 0 BEABMO Cc1ccccc1[C@H](C[NH3+])N1CCCCC1 ZINC000038827602 179342214 /nfs/dbraw/zinc/34/22/14/179342214.db2.gz VLNKNMJEGZNBOP-AWEZNQCLSA-N 1 1 218.344 2.481 40 0 BEABMO CCOC(=O)[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000216815384 350017752 /nfs/dbraw/zinc/01/77/52/350017752.db2.gz JFUPACLSKQOLDS-KIPDHUPVSA-N 1 1 237.343 2.093 40 0 BEABMO CCOC(=O)[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000216815345 350017878 /nfs/dbraw/zinc/01/78/78/350017878.db2.gz JFUPACLSKQOLDS-UYIBLKNYSA-N 1 1 237.343 2.093 40 0 BEABMO CSCC[C@@H]([NH3+])c1nc(C2CCCC2)no1 ZINC000037756500 350760787 /nfs/dbraw/zinc/76/07/87/350760787.db2.gz BNEZDHOGRMUPAQ-SECBINFHSA-N 1 1 241.360 2.480 40 0 BEABMO CC[NH+](CC)CCNCc1ccc(C)cc1 ZINC000019919164 350852110 /nfs/dbraw/zinc/85/21/10/350852110.db2.gz NCVKKZVVOQFWQT-UHFFFAOYSA-N 1 1 220.360 2.426 40 0 BEABMO C1CC[NH+]2C[C@@H]3CCC[N@H+]4CCC[C@H]([C@@H]2C1)[C@H]34 ZINC000005085265 188276898 /nfs/dbraw/zinc/27/68/98/188276898.db2.gz UENROKUHQFYYJA-XGUBFFRZSA-N 1 1 234.387 2.345 40 0 BEABMO C1CC[N@@H+]2C[C@@H]3CCCN4CCC[C@H]([C@@H]2C1)[C@H]34 ZINC000005085265 188276899 /nfs/dbraw/zinc/27/68/99/188276899.db2.gz UENROKUHQFYYJA-XGUBFFRZSA-N 1 1 234.387 2.345 40 0 BEABMO C1CC[N@H+]2C[C@@H]3CCCN4CCC[C@H]([C@@H]2C1)[C@H]34 ZINC000005085265 188276900 /nfs/dbraw/zinc/27/69/00/188276900.db2.gz UENROKUHQFYYJA-XGUBFFRZSA-N 1 1 234.387 2.345 40 0 BEABMO C1CCN2C[C@@H]3CCC[N@@H+]4CCC[C@H]([C@@H]2C1)[C@H]34 ZINC000005085265 188276901 /nfs/dbraw/zinc/27/69/01/188276901.db2.gz UENROKUHQFYYJA-XGUBFFRZSA-N 1 1 234.387 2.345 40 0 BEABMO C1CCN2C[C@@H]3CCC[N@H+]4CCC[C@H]([C@@H]2C1)[C@H]34 ZINC000005085265 188276902 /nfs/dbraw/zinc/27/69/02/188276902.db2.gz UENROKUHQFYYJA-XGUBFFRZSA-N 1 1 234.387 2.345 40 0 BEABMO CC(C)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000072356982 188307349 /nfs/dbraw/zinc/30/73/49/188307349.db2.gz HDZMXGIFJMATSD-GFCCVEGCSA-N 1 1 221.348 2.083 40 0 BEABMO C[C@@H]1c2ccccc2OCC[N@@H+]1CC1(C)COC1 ZINC000608561340 355859002 /nfs/dbraw/zinc/85/90/02/355859002.db2.gz GUNAHLHMKVMCND-GFCCVEGCSA-N 1 1 247.338 2.479 40 0 BEABMO C[NH+](C)Cc1noc(N)c1-c1ccccc1F ZINC000026512537 357164937 /nfs/dbraw/zinc/16/49/37/357164937.db2.gz CVBRUZKDRDOKPZ-UHFFFAOYSA-N 1 1 235.262 2.125 40 0 BEABMO CC(C)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000067800941 357344578 /nfs/dbraw/zinc/34/45/78/357344578.db2.gz MKWVEGFRVLKKGA-LLVKDONJSA-N 1 1 242.363 2.241 40 0 BEABMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1 ZINC000039646465 361065098 /nfs/dbraw/zinc/06/50/98/361065098.db2.gz YLEOMBARMPNDLK-OKILXGFUSA-N 1 1 229.323 2.425 40 0 BEABMO c1cc([C@@H]2CC[N@H+](Cc3ccsc3)C2)n[nH]1 ZINC000205688194 368358544 /nfs/dbraw/zinc/35/85/44/368358544.db2.gz MPLYQCLZURYFKK-LLVKDONJSA-N 1 1 233.340 2.461 40 0 BEABMO [NH3+]CC(F)(F)Sc1cccc(F)c1 ZINC000131749240 371665719 /nfs/dbraw/zinc/66/57/19/371665719.db2.gz NCPCYLJLVQEGHE-UHFFFAOYSA-N 1 1 207.220 2.469 40 0 BEABMO C([C@H]1CCC[NH2+]C1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000216241999 371726519 /nfs/dbraw/zinc/72/65/19/371726519.db2.gz RSFGURGCIUVVEK-SOUVJXGZSA-N 1 1 236.403 2.498 40 0 BEABMO OC1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000038539758 183029019 /nfs/dbraw/zinc/02/90/19/183029019.db2.gz HQCPQIOJTSTXIZ-UHFFFAOYSA-N 1 1 243.709 2.436 40 0 BEABMO OCC[N@@H+]([C@@H]1C=CCC1)C1CCCCC1 ZINC000004410882 183064069 /nfs/dbraw/zinc/06/40/69/183064069.db2.gz BPDQIAHMBNSGOD-CYBMUJFWSA-N 1 1 209.333 2.332 40 0 BEABMO O[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000038538798 183240256 /nfs/dbraw/zinc/24/02/56/183240256.db2.gz ZMAVNKAIOGNWPY-VIFPVBQESA-N 1 1 229.682 2.046 40 0 BEABMO O[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000038538798 183240257 /nfs/dbraw/zinc/24/02/57/183240257.db2.gz ZMAVNKAIOGNWPY-VIFPVBQESA-N 1 1 229.682 2.046 40 0 BEABMO O[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000038539762 183235599 /nfs/dbraw/zinc/23/55/99/183235599.db2.gz WHAGZZRYXKCPOX-JTQLQIEISA-N 1 1 243.709 2.436 40 0 BEABMO O[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000038539762 183235600 /nfs/dbraw/zinc/23/56/00/183235600.db2.gz WHAGZZRYXKCPOX-JTQLQIEISA-N 1 1 243.709 2.436 40 0 BEABMO c1cc(-c2nc([C@H]3CCCCC[NH2+]3)no2)ccn1 ZINC000135981525 183331073 /nfs/dbraw/zinc/33/10/73/183331073.db2.gz QELAJKPAJKWNTC-LLVKDONJSA-N 1 1 244.298 2.336 40 0 BEABMO c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n[nH]1 ZINC000072187762 183341677 /nfs/dbraw/zinc/34/16/77/183341677.db2.gz KGQVCDKEBFLIOC-CYBMUJFWSA-N 1 1 242.326 2.184 40 0 BEABMO C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C1=CCC[N@H+]1CCO ZINC000004706116 384077595 /nfs/dbraw/zinc/07/75/95/384077595.db2.gz ZKIQIBMWSCOAME-KZVDOYCCSA-N 1 1 221.344 2.251 40 0 BEABMO Cc1cc(C)c(Br)c(N)[nH+]1 ZINC000071256956 384157248 /nfs/dbraw/zinc/15/72/48/384157248.db2.gz MPTBBYXTRHFOLN-UHFFFAOYSA-N 1 1 201.067 2.043 40 0 BEABMO c1ccc(C[N@@H+]2CCOCC23CC3)cc1 ZINC000091692857 384138465 /nfs/dbraw/zinc/13/84/65/384138465.db2.gz FQCMCXAXQIYZGQ-UHFFFAOYSA-N 1 1 203.285 2.051 40 0 BEABMO c1ccc(C[N@H+]2CCOCC23CC3)cc1 ZINC000091692857 384138466 /nfs/dbraw/zinc/13/84/66/384138466.db2.gz FQCMCXAXQIYZGQ-UHFFFAOYSA-N 1 1 203.285 2.051 40 0 BEABMO c1csc([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000092788692 384193622 /nfs/dbraw/zinc/19/36/22/384193622.db2.gz ILFCFRFSNVJHKM-SNVBAGLBSA-N 1 1 248.355 2.246 40 0 BEABMO c1csc([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000092788692 384193628 /nfs/dbraw/zinc/19/36/28/384193628.db2.gz ILFCFRFSNVJHKM-SNVBAGLBSA-N 1 1 248.355 2.246 40 0 BEABMO c1csc([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000092788692 384193630 /nfs/dbraw/zinc/19/36/30/384193630.db2.gz ILFCFRFSNVJHKM-SNVBAGLBSA-N 1 1 248.355 2.246 40 0 BEABMO c1csc([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000092788692 384193636 /nfs/dbraw/zinc/19/36/36/384193636.db2.gz ILFCFRFSNVJHKM-SNVBAGLBSA-N 1 1 248.355 2.246 40 0 BEABMO Cc1cc(C)nc([C@@H]2CCCC[N@H+]2C)n1 ZINC000072356854 384209826 /nfs/dbraw/zinc/20/98/26/384209826.db2.gz XLMJHFOBLSRECE-NSHDSACASA-N 1 1 205.305 2.250 40 0 BEABMO Cc1cc(C)nc([C@@H]2CCCC[N@@H+]2C)n1 ZINC000072356854 384209834 /nfs/dbraw/zinc/20/98/34/384209834.db2.gz XLMJHFOBLSRECE-NSHDSACASA-N 1 1 205.305 2.250 40 0 BEABMO Cn1cnnc1[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000072356843 384209862 /nfs/dbraw/zinc/20/98/62/384209862.db2.gz UNLRHPGKUCFNLU-LBPRGKRZSA-N 1 1 234.347 2.285 40 0 BEABMO Cc1cc(C)nc([C@H]2CCCC[N@H+]2C)n1 ZINC000072356855 384210597 /nfs/dbraw/zinc/21/05/97/384210597.db2.gz XLMJHFOBLSRECE-LLVKDONJSA-N 1 1 205.305 2.250 40 0 BEABMO Cc1cc(C)nc([C@H]2CCCC[N@@H+]2C)n1 ZINC000072356855 384210600 /nfs/dbraw/zinc/21/06/00/384210600.db2.gz XLMJHFOBLSRECE-LLVKDONJSA-N 1 1 205.305 2.250 40 0 BEABMO Cc1ccc(C)c(NC2=[NH+]CCOC2)c1 ZINC000000203938 384507778 /nfs/dbraw/zinc/50/77/78/384507778.db2.gz DVCSJUWPVHQRHW-UHFFFAOYSA-N 1 1 204.273 2.144 40 0 BEABMO CC(C)c1ccc([C@@H](CO)[NH+]2CCOCC2)cc1 ZINC000070453261 384564266 /nfs/dbraw/zinc/56/42/66/384564266.db2.gz IPBAMLMDIQDMAL-OAHLLOKOSA-N 1 1 249.354 2.176 40 0 BEABMO C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 ZINC000082335692 384669187 /nfs/dbraw/zinc/66/91/87/384669187.db2.gz FZOPBHRKSYXATC-SNVBAGLBSA-N 1 1 236.290 2.106 40 0 BEABMO Cn1c[nH+]c(-c2cccc(Cl)c2)c1N ZINC000100761165 384654665 /nfs/dbraw/zinc/65/46/65/384654665.db2.gz FEFLPQMHMSTSLE-UHFFFAOYSA-N 1 1 207.664 2.323 40 0 BEABMO CCc1ccccc1C[N@H+]1CCC[C@H](O)C1 ZINC000038539492 384866945 /nfs/dbraw/zinc/86/69/45/384866945.db2.gz WWNBECQYYGDTBG-AWEZNQCLSA-N 1 1 219.328 2.206 40 0 BEABMO CN(C)CC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000004011192 384910205 /nfs/dbraw/zinc/91/02/05/384910205.db2.gz CZHRBWQKUXXMKV-YNEHKIRRSA-N 1 1 224.392 2.352 40 0 BEABMO c1ccc([C@H]2C[C@H]2C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000071477102 384916024 /nfs/dbraw/zinc/91/60/24/384916024.db2.gz KJWVAYDVQDFQKH-LSDHHAIUSA-N 1 1 230.355 2.085 40 0 BEABMO c1ccc([C@H]2C[C@H]2CN2CCC[NH2+]CC2)cc1 ZINC000071477102 384916029 /nfs/dbraw/zinc/91/60/29/384916029.db2.gz KJWVAYDVQDFQKH-LSDHHAIUSA-N 1 1 230.355 2.085 40 0 BEABMO CC[C@H](C)c1noc([C@H]2CCCC[NH2+]2)n1 ZINC000057340797 384939767 /nfs/dbraw/zinc/93/97/67/384939767.db2.gz VRWPVXKKPDTGPK-DTWKUNHWSA-N 1 1 209.293 2.398 40 0 BEABMO CCC[N@H+]1CCC[C@H]1c1ccc[nH]c1=O ZINC000072212308 385074830 /nfs/dbraw/zinc/07/48/30/385074830.db2.gz HJUXTPOYTZAHRF-NSHDSACASA-N 1 1 206.289 2.334 40 0 BEABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N)nc1 ZINC000072212366 385074894 /nfs/dbraw/zinc/07/48/94/385074894.db2.gz VLAGACIWOOGJBS-LBPRGKRZSA-N 1 1 219.332 2.457 40 0 BEABMO CC(C)[N@H+]1CCC[C@H]1c1ccc[nH]c1=O ZINC000072212306 385076870 /nfs/dbraw/zinc/07/68/70/385076870.db2.gz JSIOOQLHXJQQKO-NSHDSACASA-N 1 1 206.289 2.333 40 0 BEABMO CC[N@H+]1CCC[C@H]1c1cccnc1N(C)C ZINC000072212648 385079590 /nfs/dbraw/zinc/07/95/90/385079590.db2.gz PKMRIPPCDMBKPJ-LBPRGKRZSA-N 1 1 219.332 2.304 40 0 BEABMO CCN(C)c1ccc([C@H]2CCC[N@H+]2C)cn1 ZINC000072212702 385080720 /nfs/dbraw/zinc/08/07/20/385080720.db2.gz DDVYMRYEYLAUOR-GFCCVEGCSA-N 1 1 219.332 2.304 40 0 BEABMO c1coc([C@@H]2[NH2+]CCc3nc4ccccc4n32)c1 ZINC000019772821 385040649 /nfs/dbraw/zinc/04/06/49/385040649.db2.gz JHYAZRFZZUVECP-CQSZACIVSA-N 1 1 239.278 2.322 40 0 BEABMO Cc1cc(N2CCCC2)[nH+]cc1[C@@H](C)O ZINC000072223473 385112905 /nfs/dbraw/zinc/11/29/05/385112905.db2.gz NBMDPWBCLDRSQW-SNVBAGLBSA-N 1 1 206.289 2.044 40 0 BEABMO Cc1[nH+]c(N2CCCCC2)ccc1[C@H](C)O ZINC000072224545 385119269 /nfs/dbraw/zinc/11/92/69/385119269.db2.gz BYBMEDUDPXTFNO-NSHDSACASA-N 1 1 220.316 2.434 40 0 BEABMO CC(=O)N1CCCC[C@H]1c1ccc(N)[nH+]c1C ZINC000072218594 385099714 /nfs/dbraw/zinc/09/97/14/385099714.db2.gz WHWWMCMLLSEWMA-LBPRGKRZSA-N 1 1 233.315 2.046 40 0 BEABMO Cc1nc(N(C)C)ccc1[C@@H]1CCC[N@H+]1C ZINC000072218725 385102918 /nfs/dbraw/zinc/10/29/18/385102918.db2.gz SJPGJTJUEQWKSO-LBPRGKRZSA-N 1 1 219.332 2.223 40 0 BEABMO COc1cccc(OC)c1[C@H]1CCC[N@H+]1C ZINC000072221405 385106981 /nfs/dbraw/zinc/10/69/81/385106981.db2.gz USACXLUEJHRHBS-SNVBAGLBSA-N 1 1 221.300 2.471 40 0 BEABMO CC[NH+](CC)[C@@](C)(C(=O)OC)c1ccccc1 ZINC000085393559 385159569 /nfs/dbraw/zinc/15/95/69/385159569.db2.gz GSIZSPDHNNDHLG-CQSZACIVSA-N 1 1 235.327 2.417 40 0 BEABMO CC[NH+](CC)[C@](C)(C(=O)OC)c1ccccc1 ZINC000085393554 385159745 /nfs/dbraw/zinc/15/97/45/385159745.db2.gz GSIZSPDHNNDHLG-AWEZNQCLSA-N 1 1 235.327 2.417 40 0 BEABMO CC[C@H](OC)[C@@H]([NH2+]Cc1ccccc1)C(C)=O ZINC000064219548 385247062 /nfs/dbraw/zinc/24/70/62/385247062.db2.gz LQQHPKCCORAZML-KBPBESRZSA-N 1 1 235.327 2.159 40 0 BEABMO Cc1cn(C)c([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000257217746 385752800 /nfs/dbraw/zinc/75/28/00/385752800.db2.gz DAKDCPADMDIFSH-CYBMUJFWSA-N 1 1 249.358 2.044 40 0 BEABMO c1ccc([C@H]2CCC[N@H+]2C2CCOCC2)nc1 ZINC000257229163 385755461 /nfs/dbraw/zinc/75/54/61/385755461.db2.gz FWXTYTRXDOOXHX-CQSZACIVSA-N 1 1 232.327 2.398 40 0 BEABMO Cc1c[nH]nc1[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000257285593 385760907 /nfs/dbraw/zinc/76/09/07/385760907.db2.gz PHXDIUUSIMURLF-LLVKDONJSA-N 1 1 219.332 2.450 40 0 BEABMO Cc1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000049751258 387022788 /nfs/dbraw/zinc/02/27/88/387022788.db2.gz RUCUIOODARESCC-CQSZACIVSA-N 1 1 219.328 2.342 40 0 BEABMO COc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000225793380 387504616 /nfs/dbraw/zinc/50/46/16/387504616.db2.gz DRMLCJKTQOIBPH-UHFFFAOYSA-N 1 1 202.257 2.498 40 0 BEABMO Cc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)o1 ZINC000072324415 387648906 /nfs/dbraw/zinc/64/89/06/387648906.db2.gz UYQGLBTWCVURPF-AAEUAGOBSA-N 1 1 234.343 2.257 40 0 BEABMO CCOc1ccc(C[NH2+]Cc2ccn(C)n2)cc1 ZINC000112343002 387850814 /nfs/dbraw/zinc/85/08/14/387850814.db2.gz BCEIDIIRYBUOSI-UHFFFAOYSA-N 1 1 245.326 2.109 40 0 BEABMO C[NH2+][C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000050269995 387955271 /nfs/dbraw/zinc/95/52/71/387955271.db2.gz IATAHNRFLYIWSF-SECBINFHSA-N 1 1 219.115 2.213 40 0 BEABMO N[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000218853503 388393283 /nfs/dbraw/zinc/39/32/83/388393283.db2.gz MDLZPTBFVRHYHS-UONOGXRCSA-N 1 1 218.344 2.089 40 0 BEABMO CC[NH+](CC)[C@H](CN)c1ccc(F)cc1 ZINC000038808975 388612376 /nfs/dbraw/zinc/61/23/76/388612376.db2.gz APQKMJFBSXTSDZ-GFCCVEGCSA-N 1 1 210.296 2.167 40 0 BEABMO Cc1ccc([C@H]([NH3+])c2nnc(CC(C)C)[nH]2)cc1 ZINC000095534174 388777116 /nfs/dbraw/zinc/77/71/16/388777116.db2.gz QTPUWJYHYQYRII-ZDUSSCGKSA-N 1 1 244.342 2.360 40 0 BEABMO C1C[C@H]2NCC[N@H+](C3CCCCC3)[C@H]2C1 ZINC000242495519 388817416 /nfs/dbraw/zinc/81/74/16/388817416.db2.gz GHGZLQZVXKLYNC-OLZOCXBDSA-N 1 1 208.349 2.145 40 0 BEABMO COc1cccc(-n2c[nH+]c(C)c2C)c1 ZINC000225793350 388844168 /nfs/dbraw/zinc/84/41/68/388844168.db2.gz POPRPYKGMLIRAC-UHFFFAOYSA-N 1 1 202.257 2.498 40 0 BEABMO c1ccc(C[N@@H+]2CCN[C@H]3CCC[C@@H]32)cc1 ZINC000225716100 388840351 /nfs/dbraw/zinc/84/03/51/388840351.db2.gz OMWCMAVXTQXEHA-KBPBESRZSA-N 1 1 216.328 2.013 40 0 BEABMO c1ccc(C[N@H+]2CCN[C@H]3CCC[C@@H]32)cc1 ZINC000225716100 388840354 /nfs/dbraw/zinc/84/03/54/388840354.db2.gz OMWCMAVXTQXEHA-KBPBESRZSA-N 1 1 216.328 2.013 40 0 BEABMO c1ccc(C[N@@H+]2CCN[C@@H]3CCC[C@@H]32)cc1 ZINC000225716073 388841249 /nfs/dbraw/zinc/84/12/49/388841249.db2.gz OMWCMAVXTQXEHA-KGLIPLIRSA-N 1 1 216.328 2.013 40 0 BEABMO c1ccc(C[N@H+]2CCN[C@@H]3CCC[C@@H]32)cc1 ZINC000225716073 388841251 /nfs/dbraw/zinc/84/12/51/388841251.db2.gz OMWCMAVXTQXEHA-KGLIPLIRSA-N 1 1 216.328 2.013 40 0 BEABMO Cc1ccc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)cn1 ZINC000334406503 135394173 /nfs/dbraw/zinc/39/41/73/135394173.db2.gz HXWOQNJKTWWROS-LBPRGKRZSA-N 1 1 234.343 2.389 40 0 BEABMO Cc1ccc(C[N@H+]2CCOC(C)(C)[C@@H]2C)cn1 ZINC000334406503 135394175 /nfs/dbraw/zinc/39/41/75/135394175.db2.gz HXWOQNJKTWWROS-LBPRGKRZSA-N 1 1 234.343 2.389 40 0 BEABMO CC(C)[N@H+]1CCc2cc3c(cc2C1)OCO3 ZINC000001704003 167027284 /nfs/dbraw/zinc/02/72/84/167027284.db2.gz ZROVRFKCUNXEBM-UHFFFAOYSA-N 1 1 219.284 2.182 40 0 BEABMO CCOC(=O)CC[N@H+]1CCCC[C@@H]1CC ZINC000037022150 170206400 /nfs/dbraw/zinc/20/64/00/170206400.db2.gz SJHABLQGMCNJEF-NSHDSACASA-N 1 1 213.321 2.204 40 0 BEABMO C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000004777749 173009026 /nfs/dbraw/zinc/00/90/26/173009026.db2.gz JGAYLCZXGQAXQC-QWHCGFSZSA-N 1 1 205.301 2.204 40 0 biogenic,in-vitro BEABMO C[N@H+]1CCC[C@H](Cc2ccc(Cl)nn2)CC1 ZINC000072343828 173042805 /nfs/dbraw/zinc/04/28/05/173042805.db2.gz OLGMPPNIMUBFLS-JTQLQIEISA-N 1 1 239.750 2.404 40 0 BEABMO CN1CC[N@H+](Cc2ccoc2)Cc2cccnc21 ZINC000096198779 173089586 /nfs/dbraw/zinc/08/95/86/173089586.db2.gz GQYVHDFSEJXAOB-UHFFFAOYSA-N 1 1 243.310 2.127 40 0 BEABMO CN1CC[N@@H+](Cc2ccoc2)Cc2cccnc21 ZINC000096198779 173089587 /nfs/dbraw/zinc/08/95/87/173089587.db2.gz GQYVHDFSEJXAOB-UHFFFAOYSA-N 1 1 243.310 2.127 40 0 BEABMO C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000011888673 173378780 /nfs/dbraw/zinc/37/87/80/173378780.db2.gz JOOMZMXXEQECFS-CQSZACIVSA-N 1 1 218.344 2.118 40 0 BEABMO COCC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000072357062 174305932 /nfs/dbraw/zinc/30/59/32/174305932.db2.gz HSDVWVSEQUZCAP-NSHDSACASA-N 1 1 240.372 2.044 40 0 BEABMO COc1cccc(C[N@H+]2CC[C@@]3(CCCO3)C2)c1 ZINC000096051027 175260606 /nfs/dbraw/zinc/26/06/06/175260606.db2.gz URFXVJJRVFWPJS-HNNXBMFYSA-N 1 1 247.338 2.450 40 0 BEABMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCO ZINC000062016046 176017257 /nfs/dbraw/zinc/01/72/57/176017257.db2.gz AKQGXOAWWQTUCZ-VIFPVBQESA-N 1 1 213.708 2.325 40 0 BEABMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)C[C@H]1O ZINC000004697433 176306399 /nfs/dbraw/zinc/30/63/99/176306399.db2.gz LDTHAFXMNUJREZ-YRGRVCCFSA-N 1 1 219.328 2.278 40 0 BEABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(F)c1 ZINC000019575140 176323236 /nfs/dbraw/zinc/32/32/36/176323236.db2.gz GETWVEJSRHTUMV-IUODEOHRSA-N 1 1 248.345 2.494 40 0 BEABMO C[C@@H]1CC(O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000040539457 177066091 /nfs/dbraw/zinc/06/60/91/177066091.db2.gz LDYXEQLMMZDMQB-ONXXMXGDSA-N 1 1 219.328 2.420 40 0 BEABMO C[C@H]1CCC[N@H+]1C[C@@H](CO)c1ccccc1 ZINC000016698211 177109353 /nfs/dbraw/zinc/10/93/53/177109353.db2.gz AYVQIOHOTIJXIA-JSGCOSHPSA-N 1 1 219.328 2.247 40 0 BEABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1F ZINC000019575786 177279886 /nfs/dbraw/zinc/27/98/86/177279886.db2.gz NZRKNMWYVXNMMZ-GXTWGEPZSA-N 1 1 248.345 2.494 40 0 BEABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(F)c1 ZINC000019575776 177280818 /nfs/dbraw/zinc/28/08/18/177280818.db2.gz GETWVEJSRHTUMV-SWLSCSKDSA-N 1 1 248.345 2.494 40 0 BEABMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)C[C@H]1O ZINC000004697435 177338043 /nfs/dbraw/zinc/33/80/43/177338043.db2.gz LDTHAFXMNUJREZ-MBNYWOFBSA-N 1 1 219.328 2.278 40 0 BEABMO C[C@H]1C[C@@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2O1 ZINC000096070584 177352881 /nfs/dbraw/zinc/35/28/81/177352881.db2.gz WODREFHSOGYAAV-FPMFFAJLSA-N 1 1 232.327 2.081 40 0 BEABMO CC[N@H+]1CCC[C@H](c2nc(C)cc(NC)n2)C1 ZINC000072361102 343980049 /nfs/dbraw/zinc/98/00/49/343980049.db2.gz MGQWTALZDBSPBV-NSHDSACASA-N 1 1 234.347 2.026 40 0 BEABMO Cc1cc(N(C)C)cc([C@H]2CCC[N@H+](C)C2)n1 ZINC000257300702 178095325 /nfs/dbraw/zinc/09/53/25/178095325.db2.gz RVJMLTOQBUEDTH-LBPRGKRZSA-N 1 1 233.359 2.265 40 0 BEABMO Cc1cc(N(C)C)cc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000257300702 178095326 /nfs/dbraw/zinc/09/53/26/178095326.db2.gz RVJMLTOQBUEDTH-LBPRGKRZSA-N 1 1 233.359 2.265 40 0 BEABMO Cc1cc(Nc2ccccc2F)nc(N)[nH+]1 ZINC000049468244 178193770 /nfs/dbraw/zinc/19/37/70/178193770.db2.gz NVBZBDSKYDOTOY-UHFFFAOYSA-N 1 1 218.235 2.250 40 0 BEABMO OC[C@H](c1ccc(F)cc1F)[NH+]1CCCCC1 ZINC000070452788 259313016 /nfs/dbraw/zinc/31/30/16/259313016.db2.gz XCRQQFRBCOGCSJ-CYBMUJFWSA-N 1 1 241.281 2.484 40 0 BEABMO COc1cc(C)c([C@H]2CCC[N@H+]2C)cn1 ZINC000072218002 259318451 /nfs/dbraw/zinc/31/84/51/259318451.db2.gz XYSUJOPFMVEKHG-LLVKDONJSA-N 1 1 206.289 2.165 40 0 BEABMO CC[C@@H](O)c1c[nH+]c(N(C)CC)cc1C ZINC000072223237 259320981 /nfs/dbraw/zinc/32/09/81/259320981.db2.gz YMPGOUCGWWLYSY-LLVKDONJSA-N 1 1 208.305 2.290 40 0 BEABMO C[C@H](CN1CCCCC1)[NH+]1CCCCC1 ZINC000022859357 343056218 /nfs/dbraw/zinc/05/62/18/343056218.db2.gz CKFAMVRZYMQMFF-CYBMUJFWSA-N 1 1 210.365 2.347 40 0 BEABMO CC(=O)O[C@]1(c2ccccc2)C[C@H](C)C[N@@H+](C)C1 ZINC000004474744 187246613 /nfs/dbraw/zinc/24/66/13/187246613.db2.gz QSTBERFREDOMJD-SWLSCSKDSA-N 1 1 247.338 2.417 40 0 BEABMO C[C@H](C[N@@H+]1CCCNCC1)c1ccccc1 ZINC000040240933 343399046 /nfs/dbraw/zinc/39/90/46/343399046.db2.gz WYPAWXHOCYERMM-CYBMUJFWSA-N 1 1 218.344 2.085 40 0 BEABMO C[C@H](C[N@H+]1CCCNCC1)c1ccccc1 ZINC000040240933 343399048 /nfs/dbraw/zinc/39/90/48/343399048.db2.gz WYPAWXHOCYERMM-CYBMUJFWSA-N 1 1 218.344 2.085 40 0 BEABMO CCCC[N@H+]1CCC[C@@]2(CCC(=O)N2C)CC1 ZINC000585100527 344131201 /nfs/dbraw/zinc/13/12/01/344131201.db2.gz MGTUTLXKMSWQLP-CQSZACIVSA-N 1 1 238.375 2.263 40 0 BEABMO CC[C@@H](C)[N@H+]1CCC[C@@]2(CN(C(C)C)C2=O)C1 ZINC000585099691 344132425 /nfs/dbraw/zinc/13/24/25/344132425.db2.gz YIKDKAUOMQAHCL-OCCSQVGLSA-N 1 1 238.375 2.118 40 0 BEABMO Cc1cc([C@@H]2CCC[N@@H+]2C(C)C)c[nH]c1=O ZINC000072217957 344514030 /nfs/dbraw/zinc/51/40/30/344514030.db2.gz AMQQYOSDFVKWKU-LBPRGKRZSA-N 1 1 220.316 2.229 40 0 BEABMO C[C@H]1Nc2[nH+]cccc2N[C@@H]2CCCC(=O)[C@H]21 ZINC000045027516 344554569 /nfs/dbraw/zinc/55/45/69/344554569.db2.gz YTKGZSXXSXNMIT-LNLATYFQSA-N 1 1 231.299 2.045 40 0 BEABMO Cc1cccc(C[N@@H+](CCN)C(C)C)c1 ZINC000032011646 179071494 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/nfs/dbraw/zinc/07/85/71/385078571.db2.gz AXRJDQCCIKNWOH-LBPRGKRZSA-N 1 1 219.332 2.304 40 0 BEABMO CN(C)c1ncccc1[C@H]1CCCC[N@H+]1C ZINC000072212670 385078594 /nfs/dbraw/zinc/07/85/94/385078594.db2.gz QZVOSAPZSKKLHT-GFCCVEGCSA-N 1 1 219.332 2.304 40 0 BEABMO CCSc1ncc(C[NH2+]Cc2ccco2)cn1 ZINC000062717315 385035909 /nfs/dbraw/zinc/03/59/09/385035909.db2.gz CLJBRUWMIXMREV-UHFFFAOYSA-N 1 1 249.339 2.471 40 0 BEABMO C[N@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215907 385092496 /nfs/dbraw/zinc/09/24/96/385092496.db2.gz ZODYVBOJYKCRPQ-CYBMUJFWSA-N 1 1 231.343 2.449 40 0 BEABMO CNc1ccc([C@H]2CCCCN2C=O)c(C)[nH+]1 ZINC000072219133 385103589 /nfs/dbraw/zinc/10/35/89/385103589.db2.gz BYMMPJAQMVAYSY-GFCCVEGCSA-N 1 1 233.315 2.115 40 0 BEABMO CC(=O)N1CCC[C@H]1c1ccc(N(C)C)[nH+]c1C ZINC000072218733 385105274 /nfs/dbraw/zinc/10/52/74/385105274.db2.gz XZQNIDNJPUCVFA-ZDUSSCGKSA-N 1 1 247.342 2.139 40 0 BEABMO [NH3+]CC(=O)c1ccc2c3c(cccc31)CC2 ZINC000085391531 385156103 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/nfs/dbraw/zinc/76/09/21/385760921.db2.gz QBCOVGMWZUCPCX-CYBMUJFWSA-N 1 1 249.358 2.424 40 0 BEABMO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1C1CCOCC1 ZINC000257290009 385760927 /nfs/dbraw/zinc/76/09/27/385760927.db2.gz QBCOVGMWZUCPCX-CYBMUJFWSA-N 1 1 249.358 2.424 40 0 BEABMO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1C1CCOCC1 ZINC000257290009 385760931 /nfs/dbraw/zinc/76/09/31/385760931.db2.gz QBCOVGMWZUCPCX-CYBMUJFWSA-N 1 1 249.358 2.424 40 0 BEABMO Cc1ccnc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257288415 385761010 /nfs/dbraw/zinc/76/10/10/385761010.db2.gz PUBYBIWMKZJSQV-LBPRGKRZSA-N 1 1 219.332 2.373 40 0 BEABMO C[C@H](F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261506720 385816267 /nfs/dbraw/zinc/81/62/67/385816267.db2.gz AILCJMUBAAZTJT-WCQYABFASA-N 1 1 223.291 2.245 40 0 BEABMO C[C@H](F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261506720 385816273 /nfs/dbraw/zinc/81/62/73/385816273.db2.gz AILCJMUBAAZTJT-WCQYABFASA-N 1 1 223.291 2.245 40 0 BEABMO CCC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022538678 385919932 /nfs/dbraw/zinc/91/99/32/385919932.db2.gz NPBBRGNFLTWNPV-GRYCIOLGSA-N 1 1 227.348 2.306 40 0 BEABMO N[C@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000218857492 386302095 /nfs/dbraw/zinc/30/20/95/386302095.db2.gz GTUUAWHXFFOHNE-NWDGAFQWSA-N 1 1 224.373 2.150 40 0 BEABMO Cc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000072324615 387648743 /nfs/dbraw/zinc/64/87/43/387648743.db2.gz UYQGLBTWCVURPF-DGCLKSJQSA-N 1 1 234.343 2.257 40 0 BEABMO FCCn1ccc(C[NH2+]Cc2cccs2)n1 ZINC000256050517 387858145 /nfs/dbraw/zinc/85/81/45/387858145.db2.gz FILKSTKJJUKTMX-UHFFFAOYSA-N 1 1 239.319 2.204 40 0 BEABMO CC(C)[C@@H]([NH3+])CCN1CCc2ccccc2C1 ZINC000058058356 388373487 /nfs/dbraw/zinc/37/34/87/388373487.db2.gz HLZSQODFLMPYFM-HNNXBMFYSA-N 1 1 232.371 2.418 40 0 BEABMO Cc1sc(C(=O)C[NH3+])nc1-c1ccccc1 ZINC000219039374 388584158 /nfs/dbraw/zinc/58/41/58/388584158.db2.gz YEENVQBUALWQJV-UHFFFAOYSA-N 1 1 232.308 2.260 40 0 BEABMO CC(C)N[C@@H]1c2cccc(F)c2[C@@H]2C[NH2+]C[C@@H]21 ZINC000096205742 167136654 /nfs/dbraw/zinc/13/66/54/167136654.db2.gz PVBTWVWBIUUVOP-UHIISALHSA-N 1 1 234.318 2.181 40 0 BEABMO CCC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000225358536 168232975 /nfs/dbraw/zinc/23/29/75/168232975.db2.gz CIGMUFWLBKSSKN-UHFFFAOYSA-N 1 1 243.310 2.207 40 0 BEABMO CCOCC[N@H+]1CCCC[C@H]1c1n[nH]cc1C ZINC000257260433 170397535 /nfs/dbraw/zinc/39/75/35/170397535.db2.gz LCUUZVGZSSCPFU-LBPRGKRZSA-N 1 1 237.347 2.282 40 0 BEABMO CCOCC[N@@H+]1CCCC[C@H]1c1[nH]ncc1C ZINC000257260433 170397536 /nfs/dbraw/zinc/39/75/36/170397536.db2.gz LCUUZVGZSSCPFU-LBPRGKRZSA-N 1 1 237.347 2.282 40 0 BEABMO CCOCC[N@H+]1CCCC[C@H]1c1[nH]ncc1C ZINC000257260433 170397537 /nfs/dbraw/zinc/39/75/37/170397537.db2.gz LCUUZVGZSSCPFU-LBPRGKRZSA-N 1 1 237.347 2.282 40 0 BEABMO CC[C@@](C)(C(=O)OC)[N@H+]1CCCC[C@@H]1C ZINC000022123467 171164414 /nfs/dbraw/zinc/16/44/14/171164414.db2.gz CTPRENUGVAXXEO-JQWIXIFHSA-N 1 1 213.321 2.203 40 0 BEABMO CCn1ccc(C[NH2+]Cc2cccs2)n1 ZINC000020351136 172201236 /nfs/dbraw/zinc/20/12/36/172201236.db2.gz MBGDEGFXARKPII-UHFFFAOYSA-N 1 1 221.329 2.254 40 0 BEABMO CCn1nccc1CNc1[nH+]cccc1C ZINC000072226662 172274125 /nfs/dbraw/zinc/27/41/25/172274125.db2.gz LRUKDZVXCLSHFL-UHFFFAOYSA-N 1 1 216.288 2.219 40 0 BEABMO C[N@H+]1CCC[C@@H]1c1cccc(N2CCCC2)n1 ZINC000072386403 173036551 /nfs/dbraw/zinc/03/65/51/173036551.db2.gz ITBAWELFJHINFA-CYBMUJFWSA-N 1 1 231.343 2.449 40 0 BEABMO Cn1nccc1-c1cccc([C@H]2CCC[N@H+]2C)n1 ZINC000257244342 173037146 /nfs/dbraw/zinc/03/71/46/173037146.db2.gz IKWMNDVBUZZONA-CYBMUJFWSA-N 1 1 242.326 2.249 40 0 BEABMO C[N@H+]1CCC[C@H](Cc2ccc(Cl)nn2)C1 ZINC000072363349 173041033 /nfs/dbraw/zinc/04/10/33/173041033.db2.gz LPIPZUYOUQPPNJ-SECBINFHSA-N 1 1 225.723 2.014 40 0 BEABMO C[N@H+]1CC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096268653 173140989 /nfs/dbraw/zinc/14/09/89/173140989.db2.gz FXAUFSFRSZAMEP-CYBMUJFWSA-N 1 1 236.384 2.276 40 0 BEABMO CN1CC[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096268653 173140998 /nfs/dbraw/zinc/14/09/98/173140998.db2.gz FXAUFSFRSZAMEP-CYBMUJFWSA-N 1 1 236.384 2.276 40 0 BEABMO CN1CC[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096268653 173141000 /nfs/dbraw/zinc/14/10/00/173141000.db2.gz FXAUFSFRSZAMEP-CYBMUJFWSA-N 1 1 236.384 2.276 40 0 BEABMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1ccccc1)C2 ZINC000100008865 173207203 /nfs/dbraw/zinc/20/72/03/173207203.db2.gz XQJMXPAEFMWDOZ-WDNDVIMCSA-N 1 1 245.322 2.469 40 0 in-vitro BEABMO COc1ccc(Nc2cc(C)[nH+]c(N)n2)cc1 ZINC000001681557 175156300 /nfs/dbraw/zinc/15/63/00/175156300.db2.gz RMCVFLIDMMCSAJ-UHFFFAOYSA-N 1 1 230.271 2.119 40 0 BEABMO COc1cccc([C@H](CN)[NH+]2CCC(C)CC2)c1 ZINC000038808883 175294451 /nfs/dbraw/zinc/29/44/51/175294451.db2.gz KCIUKWKSSGWHEG-HNNXBMFYSA-N 1 1 248.370 2.427 40 0 BEABMO COc1cccc([C@H](CN)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000036092662 175294477 /nfs/dbraw/zinc/29/44/77/175294477.db2.gz AEZAJJACDUCXGH-WFASDCNBSA-N 1 1 248.370 2.427 40 0 BEABMO COc1cccc([C@H](CN)[N@H+]2CCC[C@H](C)C2)c1 ZINC000036092662 175294478 /nfs/dbraw/zinc/29/44/78/175294478.db2.gz AEZAJJACDUCXGH-WFASDCNBSA-N 1 1 248.370 2.427 40 0 BEABMO COc1ccccc1OC[C@H]1CCC[N@@H+](C)C1 ZINC000072367684 175341718 /nfs/dbraw/zinc/34/17/18/175341718.db2.gz UOPIIEOERRIKDC-LBPRGKRZSA-N 1 1 235.327 2.416 40 0 BEABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCc1ccccc1 ZINC000072324611 176322349 /nfs/dbraw/zinc/32/23/49/176322349.db2.gz OWXRKLBEDFCSBI-ZBFHGGJFSA-N 1 1 244.382 2.398 40 0 BEABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccs1 ZINC000072324424 177280582 /nfs/dbraw/zinc/28/05/82/177280582.db2.gz AUFZOEMMLVUAKW-RYUDHWBXSA-N 1 1 236.384 2.417 40 0 BEABMO C[C@H]1C[C@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2O1 ZINC000096070511 177386726 /nfs/dbraw/zinc/38/67/26/177386726.db2.gz PDXDTMUYPGKYHA-UBHSHLNASA-N 1 1 232.327 2.081 40 0 BEABMO CC(C)[C@H]1CO[C@]2(CC[N@H+](Cc3c[nH]cn3)C2)C1 ZINC000096072030 490360412 /nfs/dbraw/zinc/36/04/12/490360412.db2.gz RVPDKXPIDLLUSJ-TZMCWYRMSA-N 1 1 249.358 2.047 40 0 BEABMO CCn1ccc(C[NH2+]Cc2cccc(F)c2)n1 ZINC000020349103 523493640 /nfs/dbraw/zinc/49/36/40/523493640.db2.gz CPFLAGQPOVZEIQ-UHFFFAOYSA-N 1 1 233.290 2.332 40 0 BEABMO CCn1nccc1C[NH2+]Cc1ccccc1OC ZINC000020349291 523729355 /nfs/dbraw/zinc/72/93/55/523729355.db2.gz RMEYWPVLAHQXMP-UHFFFAOYSA-N 1 1 245.326 2.201 40 0 BEABMO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000199548542 527421687 /nfs/dbraw/zinc/42/16/87/527421687.db2.gz ZXBLFXOIZZZBHD-LLVKDONJSA-N 1 1 244.260 2.152 40 0 BEABMO Cc1cc(C[N@H+]2CC[C@@H](O)C2)ccc1Cl ZINC000038538888 178000973 /nfs/dbraw/zinc/00/09/73/178000973.db2.gz ZDMRHYGDMJRQCS-LLVKDONJSA-N 1 1 225.719 2.215 40 0 BEABMO Cc1cc(C[NH2+]Cc2ccc(F)s2)n(C)n1 ZINC000256051087 178026574 /nfs/dbraw/zinc/02/65/74/178026574.db2.gz HQQLWHVEWGYITL-UHFFFAOYSA-N 1 1 239.319 2.219 40 0 BEABMO Cc1cc(NCC[NH3+])c2cc(F)ccc2n1 ZINC000222686892 178161922 /nfs/dbraw/zinc/16/19/22/178161922.db2.gz NIQWCHZKILTREC-UHFFFAOYSA-N 1 1 219.263 2.053 40 0 BEABMO Cc1ccc(-c2noc([C@@H](C)[NH3+])n2)c(C)c1 ZINC000082975973 178343653 /nfs/dbraw/zinc/34/36/53/178343653.db2.gz DWVFXFMTFPYTOM-SECBINFHSA-N 1 1 217.272 2.373 40 0 BEABMO CCCC[N@@H+](C)CCOC(=O)N(CC)CC ZINC000001677409 342708417 /nfs/dbraw/zinc/70/84/17/342708417.db2.gz NUCSQNQBXDPPJF-UHFFFAOYSA-N 1 1 230.352 2.197 40 0 BEABMO C1COC(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)=[NH+]1 ZINC000005046317 342757207 /nfs/dbraw/zinc/75/72/07/342757207.db2.gz GEUSRXMGTZSERI-QJPTWQEYSA-N 1 1 222.332 2.321 40 0 BEABMO CC[C@@H](O)c1c[nH+]c(NC2CC2)cc1C ZINC000072223813 259321481 /nfs/dbraw/zinc/32/14/81/259321481.db2.gz ABNCBGAMMBPZIO-LLVKDONJSA-N 1 1 206.289 2.408 40 0 BEABMO CC[C@H](O)c1c[nH+]c(N(C)CC)cc1C ZINC000072223236 259320781 /nfs/dbraw/zinc/32/07/81/259320781.db2.gz YMPGOUCGWWLYSY-NSHDSACASA-N 1 1 208.305 2.290 40 0 BEABMO Cc1cc(N2CCCCCC2)[nH+]cc1CO ZINC000072223517 259321578 /nfs/dbraw/zinc/32/15/78/259321578.db2.gz PSHXOZOBXRPLLR-UHFFFAOYSA-N 1 1 220.316 2.263 40 0 BEABMO CC(C)C[N@H+]1CCC[C@]2(CCC(=O)N2C)CC1 ZINC000585100662 344131811 /nfs/dbraw/zinc/13/18/11/344131811.db2.gz SDFNHKYUGAMJMQ-AWEZNQCLSA-N 1 1 238.375 2.119 40 0 BEABMO C[N@H+]1CCC[C@H]1C[C@H]1CNc2cccc(O)c21 ZINC000504729501 530064025 /nfs/dbraw/zinc/06/40/25/530064025.db2.gz IEZDBJGTSJCFTD-QWRGUYRKSA-N 1 1 232.327 2.386 40 0 BEABMO Cc1cccc(C[N@H+](CCO)C(C)C)c1 ZINC000049826449 179072084 /nfs/dbraw/zinc/07/20/84/179072084.db2.gz BVWZPLZHFMGLLO-UHFFFAOYSA-N 1 1 207.317 2.198 40 0 BEABMO Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](O)C1 ZINC000038539016 179107341 /nfs/dbraw/zinc/10/73/41/179107341.db2.gz WPNNLXPTMJVNAA-SNVBAGLBSA-N 1 1 225.719 2.215 40 0 BEABMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000082320998 179139195 /nfs/dbraw/zinc/13/91/95/179139195.db2.gz AQEINNCCKCLQIZ-GFCCVEGCSA-N 1 1 232.327 2.275 40 0 BEABMO Cc1c(N)cccc1NC(=O)C[NH+]1CCCCC1 ZINC000008703594 346681825 /nfs/dbraw/zinc/68/18/25/346681825.db2.gz WNVOCGLMZITOFR-UHFFFAOYSA-N 1 1 247.342 2.002 40 0 BEABMO Cc1ccccc1C[N@@H+](CCN)C(C)C ZINC000032011645 179271333 /nfs/dbraw/zinc/27/13/33/179271333.db2.gz QPNUTKVNYWATNL-UHFFFAOYSA-N 1 1 206.333 2.164 40 0 BEABMO Cc1ccccc1C[N@H+](CCN)C(C)C ZINC000032011645 179271336 /nfs/dbraw/zinc/27/13/36/179271336.db2.gz QPNUTKVNYWATNL-UHFFFAOYSA-N 1 1 206.333 2.164 40 0 BEABMO C[N@H+]1CCCC[C@H]1CCNC(=O)c1ccccc1 ZINC000205672044 348571552 /nfs/dbraw/zinc/57/15/52/348571552.db2.gz DTUZNDGIQVNSLL-AWEZNQCLSA-N 1 1 246.354 2.291 40 0 BEABMO Cc1ncc2cc(C)nc([C@@H]3CCCC[NH2+]3)n21 ZINC000205694230 348576019 /nfs/dbraw/zinc/57/60/19/348576019.db2.gz ILIJKHPFQDMZOD-LBPRGKRZSA-N 1 1 230.315 2.161 40 0 BEABMO CC(C)[N@H+]1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000205693914 348576105 /nfs/dbraw/zinc/57/61/05/348576105.db2.gz LMXOFVICSIYTLD-NSHDSACASA-N 1 1 207.321 2.073 40 0 BEABMO CC(C)[N@@H+]1CCC[C@@H](Cc2ccn[nH]2)C1 ZINC000205693914 348576108 /nfs/dbraw/zinc/57/61/08/348576108.db2.gz LMXOFVICSIYTLD-NSHDSACASA-N 1 1 207.321 2.073 40 0 BEABMO CC(C)[N@H+]1CCC[C@@H](Cc2ccn[nH]2)C1 ZINC000205693914 348576110 /nfs/dbraw/zinc/57/61/10/348576110.db2.gz LMXOFVICSIYTLD-NSHDSACASA-N 1 1 207.321 2.073 40 0 BEABMO COC(=O)[C@H](C(C)C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022123344 350084147 /nfs/dbraw/zinc/08/41/47/350084147.db2.gz XGODMWPEWRNOJL-TUAOUCFPSA-N 1 1 227.348 2.162 40 0 BEABMO CC(C)[C@@H]1CO[C@]2(CC[N@H+](Cc3c[nH]cn3)C2)C1 ZINC000096072031 191055191 /nfs/dbraw/zinc/05/51/91/191055191.db2.gz RVPDKXPIDLLUSJ-GXTWGEPZSA-N 1 1 249.358 2.047 40 0 BEABMO CC(C)[C@@H]1CO[C@]2(CC[N@@H+](Cc3c[nH]cn3)C2)C1 ZINC000096072031 191055193 /nfs/dbraw/zinc/05/51/93/191055193.db2.gz RVPDKXPIDLLUSJ-GXTWGEPZSA-N 1 1 249.358 2.047 40 0 BEABMO C[C@@H]1c2ccc(O)cc2[C@]2(C)CC[N@H+](C)[C@H]12 ZINC000032119722 350179167 /nfs/dbraw/zinc/17/91/67/350179167.db2.gz YPKISZQTKHQMFL-FZQKWOKYSA-N 1 1 217.312 2.471 40 0 BEABMO Cc1[nH+]cc(CO)n1Cc1ccc(Cl)cc1 ZINC000013283668 180159558 /nfs/dbraw/zinc/15/95/58/180159558.db2.gz KNXPHJIMMBCCNJ-UHFFFAOYSA-N 1 1 236.702 2.386 40 0 BEABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC1 ZINC000225384368 350360666 /nfs/dbraw/zinc/36/06/66/350360666.db2.gz HIRKOULGQKHKOO-CYBMUJFWSA-N 1 1 238.375 2.167 40 0 BEABMO CC[N@H+]1CCC[C@H](Cc2cnc(NC)cn2)CC1 ZINC000257262527 351042574 /nfs/dbraw/zinc/04/25/74/351042574.db2.gz LLTJCGYLUDPULC-LBPRGKRZSA-N 1 1 248.374 2.183 40 0 BEABMO C1COC(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)=[NH+]1 ZINC000005046318 188276367 /nfs/dbraw/zinc/27/63/67/188276367.db2.gz GEUSRXMGTZSERI-SDDRHHMPSA-N 1 1 222.332 2.321 40 0 BEABMO C1COC(N[C@H]2CC[C@@H]3CCCC[C@H]3C2)=[NH+]1 ZINC000005046320 188276576 /nfs/dbraw/zinc/27/65/76/188276576.db2.gz GEUSRXMGTZSERI-SRVKXCTJSA-N 1 1 222.332 2.321 40 0 BEABMO CC(C)Cc1noc([C@H]2CCCC[NH2+]2)n1 ZINC000021520774 188354332 /nfs/dbraw/zinc/35/43/32/188354332.db2.gz OXTMARDYVKTESR-SECBINFHSA-N 1 1 209.293 2.083 40 0 BEABMO Cc1ccc2nc(-c3ccc[n+](C)c3)[nH]c2c1 ZINC000226774475 188359751 /nfs/dbraw/zinc/35/97/51/188359751.db2.gz WTINRSHORLCIOV-UHFFFAOYSA-N 1 1 224.287 2.363 40 0 BEABMO COc1ccccc1[C@@H](CN)[N@@H+]1CCC[C@H](C)C1 ZINC000108349920 358441202 /nfs/dbraw/zinc/44/12/02/358441202.db2.gz AWACISUOWGQNCH-GXTWGEPZSA-N 1 1 248.370 2.427 40 0 BEABMO COc1ccccc1[C@@H](CN)[N@H+]1CCC[C@H](C)C1 ZINC000108349920 358441206 /nfs/dbraw/zinc/44/12/06/358441206.db2.gz AWACISUOWGQNCH-GXTWGEPZSA-N 1 1 248.370 2.427 40 0 BEABMO Cc1c[nH]c([C@H]2CC[N@@H+](CC3CCC3)C2)n1 ZINC000205694311 368358723 /nfs/dbraw/zinc/35/87/23/368358723.db2.gz NOFZQQKCYJXRKW-LBPRGKRZSA-N 1 1 219.332 2.308 40 0 BEABMO [NH3+]C[C@@H](C=C(O)c1ccccc1)C(F)(F)F ZINC000256054705 370638299 /nfs/dbraw/zinc/63/82/99/370638299.db2.gz XKZZENNZLVZCPH-SECBINFHSA-N 1 1 231.217 2.397 40 0 BEABMO O[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000038539028 183197572 /nfs/dbraw/zinc/19/75/72/183197572.db2.gz JJSYMSMQHJJVSO-MRVPVSSYSA-N 1 1 229.682 2.046 40 0 BEABMO O[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000038539028 183197574 /nfs/dbraw/zinc/19/75/74/183197574.db2.gz JJSYMSMQHJJVSO-MRVPVSSYSA-N 1 1 229.682 2.046 40 0 BEABMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1ccccn1)CC2 ZINC000019401589 183252386 /nfs/dbraw/zinc/25/23/86/183252386.db2.gz RPRHYUWMVLXVKX-HIFRSBDPSA-N 1 1 246.354 2.209 40 0 BEABMO CCCN(Cc1ccco1)C[C@@H]1CCC[NH2+]C1 ZINC000096523666 169178398 /nfs/dbraw/zinc/17/83/98/169178398.db2.gz WBKDXHIFLJPJEK-CYBMUJFWSA-N 1 1 236.359 2.491 40 0 BEABMO c1cnc([C@@H]2CCC[N@H+]2Cc2ccncc2)cn1 ZINC000072357072 183342454 /nfs/dbraw/zinc/34/24/54/183342454.db2.gz HCGBSLBEEZWPGV-AWEZNQCLSA-N 1 1 240.310 2.209 40 0 BEABMO c1cnc([C@@H]2CCC[N@@H+]2Cc2ccncc2)cn1 ZINC000072357072 183342457 /nfs/dbraw/zinc/34/24/57/183342457.db2.gz HCGBSLBEEZWPGV-AWEZNQCLSA-N 1 1 240.310 2.209 40 0 BEABMO CCC[N@@H+]1CO[C@@H](OCC)C(C)(C)C1 ZINC000001561107 169209859 /nfs/dbraw/zinc/20/98/59/169209859.db2.gz YXZRGBBOIIYUQF-SNVBAGLBSA-N 1 1 201.310 2.075 40 0 BEABMO CCC[N@H+]1CO[C@@H](OCC)C(C)(C)C1 ZINC000001561107 169209861 /nfs/dbraw/zinc/20/98/61/169209861.db2.gz YXZRGBBOIIYUQF-SNVBAGLBSA-N 1 1 201.310 2.075 40 0 BEABMO c1ccc(-c2nc3c(s2)C[NH2+]C3)cc1 ZINC000084365713 183383511 /nfs/dbraw/zinc/38/35/11/183383511.db2.gz IZHAHQIUNRBFRD-UHFFFAOYSA-N 1 1 202.282 2.413 40 0 BEABMO CN(C)CCC[N@@H+]1CCC2(C1)CCSCC2 ZINC000001603885 383912692 /nfs/dbraw/zinc/91/26/92/383912692.db2.gz LXFXJXKHUYWETH-UHFFFAOYSA-N 1 1 242.432 2.157 40 0 BEABMO CN(C)CCC[N@H+]1CCC2(C1)CCSCC2 ZINC000001603885 383912699 /nfs/dbraw/zinc/91/26/99/383912699.db2.gz LXFXJXKHUYWETH-UHFFFAOYSA-N 1 1 242.432 2.157 40 0 BEABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000072357068 384211717 /nfs/dbraw/zinc/21/17/17/384211717.db2.gz SRMWGQMRZATEQL-CYBMUJFWSA-N 1 1 242.326 2.450 40 0 BEABMO Cc1c[nH]nc1[C@H]1CCC[N@H+]1Cc1ccncc1 ZINC000072357068 384211726 /nfs/dbraw/zinc/21/17/26/384211726.db2.gz SRMWGQMRZATEQL-CYBMUJFWSA-N 1 1 242.326 2.450 40 0 BEABMO Cc1cc(C)nc([C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000072381405 384217545 /nfs/dbraw/zinc/21/75/45/384217545.db2.gz WKENVASXCFDYSR-GFCCVEGCSA-N 1 1 219.332 2.291 40 0 BEABMO Cc1c[nH]nc1[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000072381925 384218212 /nfs/dbraw/zinc/21/82/12/384218212.db2.gz VPFCUMNUBKIIQW-LBPRGKRZSA-N 1 1 249.358 2.077 40 0 BEABMO Cc1ccc(C)c(-c2noc([C@@H](C)[NH3+])n2)c1 ZINC000074110310 384273935 /nfs/dbraw/zinc/27/39/35/384273935.db2.gz DIIPLDDWJSTUQX-SECBINFHSA-N 1 1 217.272 2.373 40 0 BEABMO C1C[C@@]2(CC[N@H+](C3CCCCC3)C2)CO1 ZINC000096051073 384428469 /nfs/dbraw/zinc/42/84/69/384428469.db2.gz PLCFTPNVCNILNX-CYBMUJFWSA-N 1 1 209.333 2.432 40 0 BEABMO FCC[N@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC000096157359 384439677 /nfs/dbraw/zinc/43/96/77/384439677.db2.gz IDNOQJVOZHWQRF-JQWIXIFHSA-N 1 1 220.291 2.097 40 0 BEABMO C[C@@](C[NH3+])(c1cccs1)N1CCCC1 ZINC000070453215 384563737 /nfs/dbraw/zinc/56/37/37/384563737.db2.gz MFDGROLEJWSDAG-LLVKDONJSA-N 1 1 210.346 2.018 40 0 BEABMO CC[C@@H]1CCCC[N@H+]1Cc1cc(N)nn1CC ZINC000408716927 384704959 /nfs/dbraw/zinc/70/49/59/384704959.db2.gz SSQJNHYVMSQKFX-LLVKDONJSA-N 1 1 236.363 2.080 40 0 BEABMO c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000071477097 384914255 /nfs/dbraw/zinc/91/42/55/384914255.db2.gz KJWVAYDVQDFQKH-CABCVRRESA-N 1 1 230.355 2.085 40 0 BEABMO c1ccc([C@@H]2C[C@@H]2CN2CCC[NH2+]CC2)cc1 ZINC000071477097 384914258 /nfs/dbraw/zinc/91/42/58/384914258.db2.gz KJWVAYDVQDFQKH-CABCVRRESA-N 1 1 230.355 2.085 40 0 BEABMO Clc1ccc(CNC[C@H]2CCC[NH2+]C2)cc1 ZINC000072203325 385054278 /nfs/dbraw/zinc/05/42/78/385054278.db2.gz JORURHDRVJYWJS-LBPRGKRZSA-N 1 1 238.762 2.429 40 0 BEABMO C[C@@](C[NH3+])(c1ccccc1)N1CCCCC1 ZINC000059842762 385056747 /nfs/dbraw/zinc/05/67/47/385056747.db2.gz WJTVYSCXELPPQR-CQSZACIVSA-N 1 1 218.344 2.346 40 0 BEABMO COc1ncccc1[C@H]1CCCC[N@H+]1C ZINC000072211733 385070253 /nfs/dbraw/zinc/07/02/53/385070253.db2.gz XVTVWKGBYRLWLE-LLVKDONJSA-N 1 1 206.289 2.247 40 0 BEABMO CC[N@H+]1CCC[C@@H]1c1ccc(OC)nc1 ZINC000072211656 385071113 /nfs/dbraw/zinc/07/11/13/385071113.db2.gz RJRYROVQFOXEHQ-LLVKDONJSA-N 1 1 206.289 2.247 40 0 BEABMO CCN(C)c1ncccc1[C@H]1CCC[N@H+]1C ZINC000072212762 385077959 /nfs/dbraw/zinc/07/79/59/385077959.db2.gz AXRJDQCCIKNWOH-GFCCVEGCSA-N 1 1 219.332 2.304 40 0 BEABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@H](C)O ZINC000072223498 385112402 /nfs/dbraw/zinc/11/24/02/385112402.db2.gz BWGYQVJRCPBJOI-NSHDSACASA-N 1 1 220.316 2.434 40 0 BEABMO CC[C@H](O)c1ccc(N(C)CC)[nH+]c1C ZINC000072224279 385115255 /nfs/dbraw/zinc/11/52/55/385115255.db2.gz LGWPPWGQSSMPAY-NSHDSACASA-N 1 1 208.305 2.290 40 0 BEABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@@H]1c1cccs1 ZINC000072227340 385121475 /nfs/dbraw/zinc/12/14/75/385121475.db2.gz DUYFRGRMBHXSQO-VXGBXAGGSA-N 1 1 244.319 2.163 40 0 BEABMO COc1ncc([C@H]2CCC[N@H+]2C)cc1C ZINC000072217707 385089836 /nfs/dbraw/zinc/08/98/36/385089836.db2.gz NPDBNJLQYSNVAY-LLVKDONJSA-N 1 1 206.289 2.165 40 0 BEABMO CC(=O)N1CCCC[C@@H]1c1c[nH+]c(N)c(C)c1 ZINC000072218475 385101196 /nfs/dbraw/zinc/10/11/96/385101196.db2.gz GRPQKKMQNBDSGS-GFCCVEGCSA-N 1 1 233.315 2.046 40 0 BEABMO CC[C@H](OC)[C@H]([NH2+]Cc1ccccc1)C(C)=O ZINC000064219544 385247418 /nfs/dbraw/zinc/24/74/18/385247418.db2.gz LQQHPKCCORAZML-UONOGXRCSA-N 1 1 235.327 2.159 40 0 BEABMO CO[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000096511314 385252479 /nfs/dbraw/zinc/25/24/79/385252479.db2.gz WEIZCDNJWXGFBP-ZDUSSCGKSA-N 1 1 205.301 2.297 40 0 BEABMO CSCC[C@H](N)C[N@@H+](C)C1CCCCC1 ZINC000096523859 385268860 /nfs/dbraw/zinc/26/88/60/385268860.db2.gz KDYCGPHBOVVHAU-NSHDSACASA-N 1 1 230.421 2.331 40 0 BEABMO CSCC[C@H]([NH3+])CN(C)C1CCCCC1 ZINC000096523859 385268864 /nfs/dbraw/zinc/26/88/64/385268864.db2.gz KDYCGPHBOVVHAU-NSHDSACASA-N 1 1 230.421 2.331 40 0 BEABMO N[C@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC000096523507 385269232 /nfs/dbraw/zinc/26/92/32/385269232.db2.gz QDCDHPAYFIOVID-AWEZNQCLSA-N 1 1 218.344 2.042 40 0 BEABMO N[C@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC000096523507 385269234 /nfs/dbraw/zinc/26/92/34/385269234.db2.gz QDCDHPAYFIOVID-AWEZNQCLSA-N 1 1 218.344 2.042 40 0 BEABMO CC(=O)OC/C=C(\C)CC[C@H]1[N@@H+](C)C1(C)C ZINC000169804283 385421367 /nfs/dbraw/zinc/42/13/67/385421367.db2.gz IKXGGDPTPVSXQR-RONOAKEHSA-N 1 1 225.332 2.369 40 0 BEABMO CC(=O)OC/C=C(\C)CC[C@H]1[N@H+](C)C1(C)C ZINC000169804283 385421369 /nfs/dbraw/zinc/42/13/69/385421369.db2.gz IKXGGDPTPVSXQR-RONOAKEHSA-N 1 1 225.332 2.369 40 0 BEABMO Cc1cn(C)c([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000257217747 385753223 /nfs/dbraw/zinc/75/32/23/385753223.db2.gz DAKDCPADMDIFSH-ZDUSSCGKSA-N 1 1 249.358 2.044 40 0 BEABMO Cc1c[nH]c([C@@H]2C[N@H+](C3CCCCC3)CCO2)n1 ZINC000257255380 385757562 /nfs/dbraw/zinc/75/75/62/385757562.db2.gz KHFGQXLMXJXDQN-ZDUSSCGKSA-N 1 1 249.358 2.424 40 0 BEABMO CC(C)[C@H]1[N@@H+](Cc2cncnc2)CC1(C)C ZINC000294078931 385799735 /nfs/dbraw/zinc/79/97/35/385799735.db2.gz YXBWVTSVXBCLHS-GFCCVEGCSA-N 1 1 219.332 2.343 40 0 BEABMO Cc1c[nH]nc1C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000335264237 386295313 /nfs/dbraw/zinc/29/53/13/386295313.db2.gz YQPPSCKHOHNNEK-SNVBAGLBSA-N 1 1 207.321 2.339 40 0 BEABMO Cc1cn[nH]c1C[N@H+]1CC(C)(C)C[C@H]1C ZINC000335264237 386295320 /nfs/dbraw/zinc/29/53/20/386295320.db2.gz YQPPSCKHOHNNEK-SNVBAGLBSA-N 1 1 207.321 2.339 40 0 BEABMO Cc1cn[nH]c1C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000335264237 386295325 /nfs/dbraw/zinc/29/53/25/386295325.db2.gz YQPPSCKHOHNNEK-SNVBAGLBSA-N 1 1 207.321 2.339 40 0 BEABMO N[C@H]1CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000218857390 386302625 /nfs/dbraw/zinc/30/26/25/386302625.db2.gz GTUUAWHXFFOHNE-RYUDHWBXSA-N 1 1 224.373 2.150 40 0 BEABMO Cc1[nH+]ccn1-c1ccc(N)cc1Cl ZINC000012357647 387849193 /nfs/dbraw/zinc/84/91/93/387849193.db2.gz MDYQFQLEBARMCW-UHFFFAOYSA-N 1 1 207.664 2.416 40 0 BEABMO OC[C@@]1(c2ccccc2)CC[N@H+]2CCCC[C@H]21 ZINC000245240297 388086637 /nfs/dbraw/zinc/08/66/37/388086637.db2.gz QKDCTUBAQIWOAZ-LSDHHAIUSA-N 1 1 231.339 2.175 40 0 BEABMO COc1ccccc1[C@@H](CN)[N@@H+]1CCC[C@@H](C)C1 ZINC000216076820 388352038 /nfs/dbraw/zinc/35/20/38/388352038.db2.gz AWACISUOWGQNCH-TZMCWYRMSA-N 1 1 248.370 2.427 40 0 BEABMO COc1ccccc1[C@@H](CN)[N@H+]1CCC[C@@H](C)C1 ZINC000216076820 388352039 /nfs/dbraw/zinc/35/20/39/388352039.db2.gz AWACISUOWGQNCH-TZMCWYRMSA-N 1 1 248.370 2.427 40 0 BEABMO CC(C)CN1CCCNc2ccc[nH+]c21 ZINC000242538769 388399535 /nfs/dbraw/zinc/39/95/35/388399535.db2.gz JFSBVRDHVNOHFM-UHFFFAOYSA-N 1 1 205.305 2.360 40 0 BEABMO Nc1ncc(C[NH2+]Cc2ccccc2Cl)cn1 ZINC000062717359 388656019 /nfs/dbraw/zinc/65/60/19/388656019.db2.gz QMEDIZHWJPSAOP-UHFFFAOYSA-N 1 1 248.717 2.002 40 0 BEABMO Cc1ccc([C@@H]([NH3+])c2nnc(C(C)C)[nH]2)cc1 ZINC000095534079 388777916 /nfs/dbraw/zinc/77/79/16/388777916.db2.gz KEVOJVWUNFWRQU-LLVKDONJSA-N 1 1 230.315 2.285 40 0 BEABMO CSc1c2c(cc3c1C[N@H+](C)CC3)OCO2 ZINC000261829801 135112001 /nfs/dbraw/zinc/11/20/01/135112001.db2.gz RFTQCTFWYGRFKK-UHFFFAOYSA-N 1 1 237.324 2.125 40 0 BEABMO CSc1c2c(cc3c1C[N@@H+](C)CC3)OCO2 ZINC000261829801 135112003 /nfs/dbraw/zinc/11/20/03/135112003.db2.gz RFTQCTFWYGRFKK-UHFFFAOYSA-N 1 1 237.324 2.125 40 0 BEABMO CC(C)[N@H+]1CCc2onc(Cn3cccc3)c2C1 ZINC000096084842 167027805 /nfs/dbraw/zinc/02/78/05/167027805.db2.gz YHBRFSXUHZPQQA-UHFFFAOYSA-N 1 1 245.326 2.291 40 0 BEABMO CCOC(=O)CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000036671335 170206855 /nfs/dbraw/zinc/20/68/55/170206855.db2.gz AHWZPSGTCFEGAT-PHIMTYICSA-N 1 1 213.321 2.203 40 0 BEABMO C[N@H+]1CCCC[C@@H]1[C@@](C)(O)c1ccccc1 ZINC000004777753 173006465 /nfs/dbraw/zinc/00/64/65/173006465.db2.gz LXDBGLKINLPWMY-KGLIPLIRSA-N 1 1 219.328 2.378 40 0 BEABMO C[N@H+]1CCCC[C@@H]1[C@](C)(O)c1ccccc1 ZINC000004777752 173006836 /nfs/dbraw/zinc/00/68/36/173006836.db2.gz LXDBGLKINLPWMY-ZIAGYGMSSA-N 1 1 219.328 2.378 40 0 BEABMO C[N@H+]1CCC[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC000096215219 173039557 /nfs/dbraw/zinc/03/95/57/173039557.db2.gz SKEBJGKZJGRVFH-CQSZACIVSA-N 1 1 234.343 2.197 40 0 BEABMO C[N@H+]1CCC[C@H](c2cccc3nccn32)C1 ZINC000257326720 173049212 /nfs/dbraw/zinc/04/92/12/173049212.db2.gz WYHSVWHQSPTQPP-NSHDSACASA-N 1 1 215.300 2.144 40 0 BEABMO C[N@H+]1CC[C@@]2(CO2)c2cc(Cl)ccc2C1 ZINC000096510471 173141743 /nfs/dbraw/zinc/14/17/43/173141743.db2.gz HFRKUBWZPADPJK-GFCCVEGCSA-N 1 1 223.703 2.401 40 0 BEABMO C[N@H+]1CC[C@]2(C)C[C@H]1Cc1ccc(O)cc12 ZINC000001687740 173164806 /nfs/dbraw/zinc/16/48/06/173164806.db2.gz SGPDQCOZBVOUMT-BXUZGUMPSA-N 1 1 217.312 2.300 40 0 BEABMO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2N)cc1 ZINC000218856642 175092381 /nfs/dbraw/zinc/09/23/81/175092381.db2.gz PHQGZTBHYWLDBZ-CABCVRRESA-N 1 1 248.370 2.097 40 0 BEABMO COc1ccc2nc(C[NH2+]C(C)(C)C)[nH]c2c1 ZINC000022122100 175228877 /nfs/dbraw/zinc/22/88/77/175228877.db2.gz UIPRCQOVASKECH-UHFFFAOYSA-N 1 1 233.315 2.460 40 0 BEABMO COc1cccc([C@@H](CN)[NH+]2CCC(C)CC2)c1 ZINC000038808884 175287986 /nfs/dbraw/zinc/28/79/86/175287986.db2.gz KCIUKWKSSGWHEG-OAHLLOKOSA-N 1 1 248.370 2.427 40 0 BEABMO C[C@@H]1C[N@@H+](C)CC[C@@]12Cc1ccccc1O2 ZINC000016698329 176269457 /nfs/dbraw/zinc/26/94/57/176269457.db2.gz VKECLJQIARTGLQ-BXUZGUMPSA-N 1 1 217.312 2.332 40 0 BEABMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)C[C@@H]1O ZINC000003162394 176306737 /nfs/dbraw/zinc/30/67/37/176306737.db2.gz LDTHAFXMNUJREZ-BZPMIXESSA-N 1 1 219.328 2.278 40 0 BEABMO CC[C@H](C)[C@H]([NH2+]C)C(=O)OCc1ccccc1 ZINC000002382566 487745842 /nfs/dbraw/zinc/74/58/42/487745842.db2.gz ATJJWXDHFSKJKM-AAEUAGOBSA-N 1 1 235.327 2.364 40 0 BEABMO CN1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000034453824 1167573704 /nfs/dbraw/zinc/57/37/04/1167573704.db2.gz OUPOBONEBFRSPF-GJZGRUSLSA-N 1 1 230.355 2.213 40 0 BEABMO C[N@@H+]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000034453824 1167573708 /nfs/dbraw/zinc/57/37/08/1167573708.db2.gz OUPOBONEBFRSPF-GJZGRUSLSA-N 1 1 230.355 2.213 40 0 BEABMO C[N@H+]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000034453824 1167573711 /nfs/dbraw/zinc/57/37/11/1167573711.db2.gz OUPOBONEBFRSPF-GJZGRUSLSA-N 1 1 230.355 2.213 40 0 BEABMO Cc1cc(C[C@H]2CCC[C@@H]3C[N@H+](C)C[C@@H]32)ncn1 ZINC000257302659 178057632 /nfs/dbraw/zinc/05/76/32/178057632.db2.gz SDTBOWSUVIKJHW-UMVBOHGHSA-N 1 1 245.370 2.305 40 0 BEABMO Cc1cc(N)ccc1NC(=O)C[NH+]1CCCCC1 ZINC000004945028 178106185 /nfs/dbraw/zinc/10/61/85/178106185.db2.gz LXSLXBDSHFXKDD-UHFFFAOYSA-N 1 1 247.342 2.002 40 0 BEABMO Cc1ccc([C@H]2CC[N@H+](C)C[C@H]2CO)cc1 ZINC000299803678 398216384 /nfs/dbraw/zinc/21/63/84/398216384.db2.gz PNSQELDDLYCOEM-UONOGXRCSA-N 1 1 219.328 2.023 40 0 BEABMO OC[C@@H](c1ccc(F)cc1F)[NH+]1CCCCC1 ZINC000070452789 259313051 /nfs/dbraw/zinc/31/30/51/259313051.db2.gz XCRQQFRBCOGCSJ-ZDUSSCGKSA-N 1 1 241.281 2.484 40 0 BEABMO OC[C@@H](c1c(F)cccc1F)[NH+]1CCCCC1 ZINC000070452999 259313607 /nfs/dbraw/zinc/31/36/07/259313607.db2.gz CJAPEDYTPROFGH-LBPRGKRZSA-N 1 1 241.281 2.484 40 0 BEABMO CCC[N@H+]1CCC[C@H]1c1ccc(=O)[nH]c1 ZINC000072212258 259317627 /nfs/dbraw/zinc/31/76/27/259317627.db2.gz BNOMTBWRTXVTRI-NSHDSACASA-N 1 1 206.289 2.334 40 0 BEABMO CC(=O)N1CCC[C@@H]1c1ccc(N(C)C)[nH+]c1C ZINC000072218734 259318472 /nfs/dbraw/zinc/31/84/72/259318472.db2.gz XZQNIDNJPUCVFA-CYBMUJFWSA-N 1 1 247.342 2.139 40 0 BEABMO Cc1[nH+]c(NCc2ccccc2)ccc1CO ZINC000072224403 259322145 /nfs/dbraw/zinc/32/21/45/259322145.db2.gz OOIZXMWZNWPISB-UHFFFAOYSA-N 1 1 228.295 2.494 40 0 BEABMO [NH3+][C@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000037658148 343350851 /nfs/dbraw/zinc/35/08/51/343350851.db2.gz IPQYIDQHEKVEDR-SNVBAGLBSA-N 1 1 219.675 2.178 40 0 BEABMO CC[C@H](C)[N@H+]1CCC[C@@]2(CN(C(C)C)C2=O)C1 ZINC000585099690 344131912 /nfs/dbraw/zinc/13/19/12/344131912.db2.gz YIKDKAUOMQAHCL-JSGCOSHPSA-N 1 1 238.375 2.118 40 0 BEABMO CC(C)C[N@H+]1CCC[C@@]2(CCC(=O)N2C)CC1 ZINC000585100663 344132072 /nfs/dbraw/zinc/13/20/72/344132072.db2.gz SDFNHKYUGAMJMQ-CQSZACIVSA-N 1 1 238.375 2.119 40 0 BEABMO CC(C)(C)C[N@H+]1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019695461 347031682 /nfs/dbraw/zinc/03/16/82/347031682.db2.gz YUNFZHDBWNQAEN-NWDGAFQWSA-N 1 1 238.375 2.166 40 0 BEABMO CC[N@H+]1CCCC[C@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217974 344514014 /nfs/dbraw/zinc/51/40/14/344514014.db2.gz VXJSSAGJNZMHDN-LBPRGKRZSA-N 1 1 220.316 2.230 40 0 BEABMO Cc1ccccc1CNC[C@@H]1CCC[NH2+]C1 ZINC000072203915 179281798 /nfs/dbraw/zinc/28/17/98/179281798.db2.gz AKHDTXKWYLGRGE-CYBMUJFWSA-N 1 1 218.344 2.084 40 0 BEABMO Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082320751 179301826 /nfs/dbraw/zinc/30/18/26/179301826.db2.gz LXAXRHOIOFKQQS-GFCCVEGCSA-N 1 1 232.327 2.275 40 0 BEABMO CCc1ccc(C(=O)[C@H](C)[NH+](C)C)cc1 ZINC000037333660 348340092 /nfs/dbraw/zinc/34/00/92/348340092.db2.gz IJXRTMSYZBTQFS-JTQLQIEISA-N 1 1 205.301 2.382 40 0 in-vitro BEABMO Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000038539883 348705323 /nfs/dbraw/zinc/70/53/23/348705323.db2.gz KGVBZRPUUVNUFK-CYBMUJFWSA-N 1 1 223.291 2.091 40 0 BEABMO Cc1nccn1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000072356937 180266967 /nfs/dbraw/zinc/26/69/67/180266967.db2.gz NTJDMPPNAHKLDL-CYBMUJFWSA-N 1 1 221.348 2.312 40 0 BEABMO CC[NH+](CC)[C@@H](CN)c1ccc(F)cc1 ZINC000038808973 363150206 /nfs/dbraw/zinc/15/02/06/363150206.db2.gz APQKMJFBSXTSDZ-LBPRGKRZSA-N 1 1 210.296 2.167 40 0 BEABMO Cc1ccc([C@@H]2CC[N@H+](C)C[C@@H]2CO)cc1 ZINC000224699659 363193913 /nfs/dbraw/zinc/19/39/13/363193913.db2.gz PNSQELDDLYCOEM-KGLIPLIRSA-N 1 1 219.328 2.023 40 0 BEABMO Cc1noc(C)c1C(=O)Cn1cc[nH+]c1C(C)C ZINC000186665504 188171280 /nfs/dbraw/zinc/17/12/80/188171280.db2.gz FJTJRIYXHVQXLC-UHFFFAOYSA-N 1 1 247.298 2.494 40 0 BEABMO COc1ccc(C[C@@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000257227352 188193052 /nfs/dbraw/zinc/19/30/52/188193052.db2.gz FOWXUCQHVIJVFE-OAHLLOKOSA-N 1 1 249.354 2.347 40 0 BEABMO CC(C)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000067800919 357344702 /nfs/dbraw/zinc/34/47/02/357344702.db2.gz MKWVEGFRVLKKGA-NSHDSACASA-N 1 1 242.363 2.241 40 0 BEABMO CCCC[C@H](CC)C[N@H+]1CCNC[C@H]1C ZINC000134850856 358809052 /nfs/dbraw/zinc/80/90/52/358809052.db2.gz CTEYDSHQPCHLCV-OLZOCXBDSA-N 1 1 212.381 2.497 40 0 BEABMO CCCC[C@H](CC)CN1CC[NH2+]C[C@H]1C ZINC000134850856 358809056 /nfs/dbraw/zinc/80/90/56/358809056.db2.gz CTEYDSHQPCHLCV-OLZOCXBDSA-N 1 1 212.381 2.497 40 0 BEABMO Cc1c[nH]nc1[C@@]1(C)C[N@H+](C2CCCC2)CCO1 ZINC000205673899 368356262 /nfs/dbraw/zinc/35/62/62/368356262.db2.gz QKHUTFHOKRHHRE-CQSZACIVSA-N 1 1 249.358 2.208 40 0 BEABMO Cc1ncc2cc(C)nc([C@H]3CCCC[NH2+]3)n21 ZINC000205694248 368358048 /nfs/dbraw/zinc/35/80/48/368358048.db2.gz ILIJKHPFQDMZOD-GFCCVEGCSA-N 1 1 230.315 2.161 40 0 BEABMO Cc1c[nH]c([C@@H]2CCC[N@H+]2CC2CC2)n1 ZINC000205687373 368358360 /nfs/dbraw/zinc/35/83/60/368358360.db2.gz KUQRCWCEMITSTN-NSHDSACASA-N 1 1 205.305 2.265 40 0 BEABMO Cc1c[nH]c([C@H]2CCC[N@H+]2CC2CC2)n1 ZINC000205687391 368358405 /nfs/dbraw/zinc/35/84/05/368358405.db2.gz KUQRCWCEMITSTN-LLVKDONJSA-N 1 1 205.305 2.265 40 0 BEABMO CC1(C)C[C@@H]([NH3+])c2cc3nc[nH]c3cc21 ZINC000057347038 369393029 /nfs/dbraw/zinc/39/30/29/369393029.db2.gz IWWKLSDLLRWYGC-SECBINFHSA-N 1 1 201.273 2.244 40 0 BEABMO COc1cccc([C@@H](CN)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000108349931 369390717 /nfs/dbraw/zinc/39/07/17/369390717.db2.gz AEZAJJACDUCXGH-SWLSCSKDSA-N 1 1 248.370 2.427 40 0 BEABMO COc1cccc([C@@H](CN)[N@H+]2CCC[C@H](C)C2)c1 ZINC000108349931 369390721 /nfs/dbraw/zinc/39/07/21/369390721.db2.gz AEZAJJACDUCXGH-SWLSCSKDSA-N 1 1 248.370 2.427 40 0 BEABMO [NH3+]C[C@H](C=C(O)c1ccccc1)C(F)(F)F ZINC000256054706 370638195 /nfs/dbraw/zinc/63/81/95/370638195.db2.gz XKZZENNZLVZCPH-VIFPVBQESA-N 1 1 231.217 2.397 40 0 BEABMO OCC[N@@H+](Cc1nccc2ccccc21)C1CC1 ZINC000079422047 183073004 /nfs/dbraw/zinc/07/30/04/183073004.db2.gz CIUWSGOUHARPMA-UHFFFAOYSA-N 1 1 242.322 2.192 40 0 BEABMO O[C@@H]1CCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000038539549 183193302 /nfs/dbraw/zinc/19/33/02/183193302.db2.gz OALCIZQBRSMABU-SNVBAGLBSA-N 1 1 243.709 2.436 40 0 BEABMO O[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000038539549 183193305 /nfs/dbraw/zinc/19/33/05/183193305.db2.gz OALCIZQBRSMABU-SNVBAGLBSA-N 1 1 243.709 2.436 40 0 BEABMO O[C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000038539587 183235319 /nfs/dbraw/zinc/23/53/19/183235319.db2.gz YYHNIWSXIJBCJM-JTQLQIEISA-N 1 1 243.709 2.436 40 0 BEABMO O[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000038539587 183235320 /nfs/dbraw/zinc/23/53/20/183235320.db2.gz YYHNIWSXIJBCJM-JTQLQIEISA-N 1 1 243.709 2.436 40 0 BEABMO CCCN(CCC)C[C@H]([NH3+])CCSC ZINC000096523857 169148339 /nfs/dbraw/zinc/14/83/39/169148339.db2.gz TYTUMLNFFLQEHS-LLVKDONJSA-N 1 1 218.410 2.189 40 0 BEABMO CSc1ccc(C[N@@H+](CCO)C2CC2)cc1 ZINC000048065352 383820073 /nfs/dbraw/zinc/82/00/73/383820073.db2.gz CUTSIZPMPFCGJC-UHFFFAOYSA-N 1 1 237.368 2.365 40 0 BEABMO CC[N@@H+](CCO)Cc1cccc(Cl)c1 ZINC000049754193 383824277 /nfs/dbraw/zinc/82/42/77/383824277.db2.gz ZTMRVKSGNKCGAA-UHFFFAOYSA-N 1 1 213.708 2.154 40 0 BEABMO CCC[C@@H]([C@@H](CC)CN(C)C)[NH+](C)C ZINC000001662274 383917598 /nfs/dbraw/zinc/91/75/98/383917598.db2.gz SJLKSOZBYOLBNB-RYUDHWBXSA-N 1 1 200.370 2.305 40 0 BEABMO C1COC(N[C@H]2CCC[C@@H]3CCCC[C@H]32)=[NH+]1 ZINC000005189949 384106826 /nfs/dbraw/zinc/10/68/26/384106826.db2.gz ARGKDOYQHZOQEK-TUAOUCFPSA-N 1 1 222.332 2.321 40 0 BEABMO CCC[C@H](C(=O)OC)[N@H+]1CCC[C@H](C)C1 ZINC000036128005 384238309 /nfs/dbraw/zinc/23/83/09/384238309.db2.gz KXYNBVINDFDWQW-WDEREUQCSA-N 1 1 213.321 2.060 40 0 BEABMO Cn1cnnc1[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000072356840 384210341 /nfs/dbraw/zinc/21/03/41/384210341.db2.gz MEQDLBPKFJVKHZ-LBPRGKRZSA-N 1 1 248.374 2.327 40 0 BEABMO Cn1cnnc1[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000072356844 384210443 /nfs/dbraw/zinc/21/04/43/384210443.db2.gz UNLRHPGKUCFNLU-GFCCVEGCSA-N 1 1 234.347 2.285 40 0 BEABMO CC(C)[N@H+]1CCC[C@@H](c2ccnc(N(C)C)n2)C1 ZINC000072356990 384211087 /nfs/dbraw/zinc/21/10/87/384211087.db2.gz OFJFZBDPAIXHCN-GFCCVEGCSA-N 1 1 248.374 2.130 40 0 BEABMO CC(=O)N1CC[N@H+](C(C)C)[C@H](c2ccccc2)C1 ZINC000072366560 384213736 /nfs/dbraw/zinc/21/37/36/384213736.db2.gz GRWKRYOMXMVRKK-HNNXBMFYSA-N 1 1 246.354 2.300 40 0 BEABMO Cc1nc(C[N@H+]2C[C@@H]3C[C@@H](C)O[C@@H]3C2)cs1 ZINC000096045713 384427261 /nfs/dbraw/zinc/42/72/61/384427261.db2.gz IGRAPARDJKFZDB-UBHAPETDSA-N 1 1 238.356 2.061 40 0 BEABMO Cc1nc(C[N@@H+]2C[C@@H]3C[C@@H](C)O[C@@H]3C2)cs1 ZINC000096045713 384427266 /nfs/dbraw/zinc/42/72/66/384427266.db2.gz IGRAPARDJKFZDB-UBHAPETDSA-N 1 1 238.356 2.061 40 0 BEABMO Cc1c(F)cccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000038539528 384866726 /nfs/dbraw/zinc/86/67/26/384866726.db2.gz AWVQVVMEUNBPQU-GFCCVEGCSA-N 1 1 223.291 2.091 40 0 BEABMO CN(C)CC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 ZINC000004011193 384911057 /nfs/dbraw/zinc/91/10/57/384911057.db2.gz CZHRBWQKUXXMKV-XQQFMLRXSA-N 1 1 224.392 2.352 40 0 BEABMO CC[C@@H](C)c1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000057340790 384939409 /nfs/dbraw/zinc/93/94/09/384939409.db2.gz VRWPVXKKPDTGPK-BDAKNGLRSA-N 1 1 209.293 2.398 40 0 BEABMO CCOc1ccc(C[NH2+]CCCN(C)C)cc1 ZINC000057362365 384943261 /nfs/dbraw/zinc/94/32/61/384943261.db2.gz SLPVNMDJHFRRFN-UHFFFAOYSA-N 1 1 236.359 2.127 40 0 BEABMO C[C@](C[NH3+])(c1ccccc1)N1CCCCC1 ZINC000059842764 385059018 /nfs/dbraw/zinc/05/90/18/385059018.db2.gz WJTVYSCXELPPQR-AWEZNQCLSA-N 1 1 218.344 2.346 40 0 BEABMO CN(C)c1ncccc1[C@@H]1CCCC[N@H+]1C ZINC000072212671 385078373 /nfs/dbraw/zinc/07/83/73/385078373.db2.gz QZVOSAPZSKKLHT-LBPRGKRZSA-N 1 1 219.332 2.304 40 0 BEABMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)cn1 ZINC000072187781 385045797 /nfs/dbraw/zinc/04/57/97/385045797.db2.gz MWSODTMRJLYVLQ-CQSZACIVSA-N 1 1 242.326 2.152 40 0 BEABMO [NH3+][C@@H]1C(=O)N(c2ccccc2)[C@H]1c1cccs1 ZINC000072227339 385122861 /nfs/dbraw/zinc/12/28/61/385122861.db2.gz DUYFRGRMBHXSQO-RYUDHWBXSA-N 1 1 244.319 2.163 40 0 BEABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000072227332 385122942 /nfs/dbraw/zinc/12/29/42/385122942.db2.gz AAZUWUNMNWDQID-ZIAGYGMSSA-N 1 1 238.290 2.102 40 0 BEABMO C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000095147660 385131214 /nfs/dbraw/zinc/13/12/14/385131214.db2.gz QOLAVFJYNHHXEP-RYUDHWBXSA-N 1 1 236.334 2.476 40 0 BEABMO CC[N@H+]1CCC[C@H]1c1cnc(N)cc1C ZINC000072218492 385100892 /nfs/dbraw/zinc/10/08/92/385100892.db2.gz PDRQJDZEHQMEDT-NSHDSACASA-N 1 1 205.305 2.129 40 0 BEABMO Cc1cc(N(C)C)[nH+]cc1[C@@H]1CCCCN1C=O ZINC000072218712 385104450 /nfs/dbraw/zinc/10/44/50/385104450.db2.gz POAFCQZQHFLNSM-ZDUSSCGKSA-N 1 1 247.342 2.139 40 0 BEABMO CNc1ccc([C@H]2CCC[N@H+]2C)c(C)n1 ZINC000072219086 385105473 /nfs/dbraw/zinc/10/54/73/385105473.db2.gz FNBBUAFVDRBJTA-LLVKDONJSA-N 1 1 205.305 2.198 40 0 BEABMO CC(C)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000072348450 385228156 /nfs/dbraw/zinc/22/81/56/385228156.db2.gz GJQVBCIGTGUMFV-NSHDSACASA-N 1 1 205.305 2.064 40 0 BEABMO CSCC[C@H]([NH3+])CN1CCCCCCC1 ZINC000096523843 385268699 /nfs/dbraw/zinc/26/86/99/385268699.db2.gz OTTDUIMUPJHQDD-LBPRGKRZSA-N 1 1 230.421 2.333 40 0 BEABMO CSCC[C@H](N)C[NH+]1CCCCCCC1 ZINC000096523843 385268704 /nfs/dbraw/zinc/26/87/04/385268704.db2.gz OTTDUIMUPJHQDD-LBPRGKRZSA-N 1 1 230.421 2.333 40 0 BEABMO Cn1cncc1C[N@@H+](C)C1(C)CCCC1 ZINC000336518973 385501041 /nfs/dbraw/zinc/50/10/41/385501041.db2.gz BSHQKKRWWKMHAY-UHFFFAOYSA-N 1 1 207.321 2.185 40 0 BEABMO CCCC[NH+](CCCC)C[C@@H](O)CNC1CC1 ZINC000036950611 385591875 /nfs/dbraw/zinc/59/18/75/385591875.db2.gz IGUARSSBUVHWKR-AWEZNQCLSA-N 1 1 242.407 2.002 40 0 BEABMO CC(C)c1n[nH]c(CC[NH+]2CCCCCC2)n1 ZINC000062719491 385729271 /nfs/dbraw/zinc/72/92/71/385729271.db2.gz IFSKFWSWPKXFPQ-UHFFFAOYSA-N 1 1 236.363 2.347 40 0 BEABMO CC(C)c1nc(CC[NH+]2CCCCCC2)n[nH]1 ZINC000062719491 385729275 /nfs/dbraw/zinc/72/92/75/385729275.db2.gz IFSKFWSWPKXFPQ-UHFFFAOYSA-N 1 1 236.363 2.347 40 0 BEABMO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cc(C)on3)C2)n1 ZINC000257252612 385758726 /nfs/dbraw/zinc/75/87/26/385758726.db2.gz JVKXSNHWOYOHAX-NSHDSACASA-N 1 1 246.314 2.004 40 0 BEABMO Cc1c[nH]nc1[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000257285594 385762483 /nfs/dbraw/zinc/76/24/83/385762483.db2.gz PHXDIUUSIMURLF-NSHDSACASA-N 1 1 219.332 2.450 40 0 BEABMO Cc1c[nH]c([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000257327895 385763567 /nfs/dbraw/zinc/76/35/67/385763567.db2.gz XDFDWTKNHIXPNS-GFCCVEGCSA-N 1 1 235.331 2.034 40 0 BEABMO Cc1c[nH]nc1C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000335264236 386148544 /nfs/dbraw/zinc/14/85/44/386148544.db2.gz YQPPSCKHOHNNEK-JTQLQIEISA-N 1 1 207.321 2.339 40 0 BEABMO Cc1cn[nH]c1C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000335264236 386148548 /nfs/dbraw/zinc/14/85/48/386148548.db2.gz YQPPSCKHOHNNEK-JTQLQIEISA-N 1 1 207.321 2.339 40 0 BEABMO Cc1cn[nH]c1C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000335264236 386148552 /nfs/dbraw/zinc/14/85/52/386148552.db2.gz YQPPSCKHOHNNEK-JTQLQIEISA-N 1 1 207.321 2.339 40 0 BEABMO Cc1ccc([C@@H]([NH3+])CN2CCCCC2)cc1 ZINC000019821194 388611446 /nfs/dbraw/zinc/61/14/46/388611446.db2.gz KZAQKTBENFPOFP-AWEZNQCLSA-N 1 1 218.344 2.481 40 0 BEABMO [NH3+][C@@H](c1nnc(C2CC2)[nH]1)c1ccc(Cl)cc1 ZINC000095534017 388777251 /nfs/dbraw/zinc/77/72/51/388777251.db2.gz VUCUGCVOYAGKOS-SNVBAGLBSA-N 1 1 248.717 2.384 40 0 BEABMO C[N@H+]1C[C@H](CO)[C@@H](c2cccc3ccccc32)C1 ZINC000225608911 388839677 /nfs/dbraw/zinc/83/96/77/388839677.db2.gz ZNNSSQQNZDAPMD-CJNGLKHVSA-N 1 1 241.334 2.477 40 0 BEABMO CC(C)OCCC[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225712509 388841554 /nfs/dbraw/zinc/84/15/54/388841554.db2.gz SVOFHSOHNPEOPL-KGLIPLIRSA-N 1 1 240.391 2.018 40 0 BEABMO CC(C)OCCC[N@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225712509 388841558 /nfs/dbraw/zinc/84/15/58/388841558.db2.gz SVOFHSOHNPEOPL-KGLIPLIRSA-N 1 1 240.391 2.018 40 0 BEABMO CC[C@@](C)(C(=O)OC)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022123489 171163538 /nfs/dbraw/zinc/16/35/38/171163538.db2.gz IMWNBBNBQVEZCR-LOWVWBTDSA-N 1 1 227.348 2.306 40 0 BEABMO CN1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000004539025 173007704 /nfs/dbraw/zinc/00/77/04/173007704.db2.gz YWMAWIWYSHEARC-ZDUSSCGKSA-N 1 1 210.365 2.347 40 0 in-vitro BEABMO C[N@H+]1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 ZINC000072355462 173022226 /nfs/dbraw/zinc/02/22/26/173022226.db2.gz SZDSNPRZUPTALK-GFCCVEGCSA-N 1 1 242.326 2.077 40 0 BEABMO C[N@H+]1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 ZINC000072355461 173048956 /nfs/dbraw/zinc/04/89/56/173048956.db2.gz SZDSNPRZUPTALK-LBPRGKRZSA-N 1 1 242.326 2.077 40 0 BEABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1)C2 ZINC000000238878 173207550 /nfs/dbraw/zinc/20/75/50/173207550.db2.gz OEEGGTCSQOZQJO-PBWFPOADSA-N 1 1 217.312 2.131 40 0 BEABMO COc1ccc(-c2n[nH]c([C@H]([NH3+])C(C)C)n2)cc1 ZINC000095534705 175039722 /nfs/dbraw/zinc/03/97/22/175039722.db2.gz BUMDASOMVPGRGW-LLVKDONJSA-N 1 1 246.314 2.136 40 0 BEABMO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000001581733 175084372 /nfs/dbraw/zinc/08/43/72/175084372.db2.gz NJNIMTINFXBEKA-NNQSOWQGSA-N 1 1 247.338 2.139 40 0 BEABMO COc1ccc2nc([C@H]3CCCC[NH2+]3)[nH]c2c1 ZINC000075629702 175202310 /nfs/dbraw/zinc/20/23/10/175202310.db2.gz IKDXGJAUCVXUIK-LLVKDONJSA-N 1 1 231.299 2.386 40 0 BEABMO COc1ccccc1OC[C@@H]1CCC[N@@H+](C)C1 ZINC000072367685 175341672 /nfs/dbraw/zinc/34/16/72/175341672.db2.gz UOPIIEOERRIKDC-GFCCVEGCSA-N 1 1 235.327 2.416 40 0 BEABMO COc1ccccc1[C@@H]1CNCC[N@@H+]1CC1CC1 ZINC000257224376 175348115 /nfs/dbraw/zinc/34/81/15/175348115.db2.gz FBOOTGMUNYRVRI-AWEZNQCLSA-N 1 1 246.354 2.052 40 0 BEABMO COc1ccccc1[C@@H]1CNCC[N@H+]1CC1CC1 ZINC000257224376 175348117 /nfs/dbraw/zinc/34/81/17/175348117.db2.gz FBOOTGMUNYRVRI-AWEZNQCLSA-N 1 1 246.354 2.052 40 0 BEABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1F ZINC000019575156 176323255 /nfs/dbraw/zinc/32/32/55/176323255.db2.gz NZRKNMWYVXNMMZ-TZMCWYRMSA-N 1 1 248.345 2.494 40 0 BEABMO C[C@H](c1ccc(F)cc1)[N@@H+](CCO)C1CC1 ZINC000079421193 177034454 /nfs/dbraw/zinc/03/44/54/177034454.db2.gz VLJHWQVPIWVCTR-SNVBAGLBSA-N 1 1 223.291 2.343 40 0 BEABMO C[C@H]1C[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@H]2O1 ZINC000096062535 177352647 /nfs/dbraw/zinc/35/26/47/177352647.db2.gz HJBJNYMZAUZJMZ-FPMFFAJLSA-N 1 1 232.327 2.081 40 0 BEABMO COc1c(C)cc(-c2noc([C@H](C)[NH3+])n2)cc1C ZINC000075079911 488073515 /nfs/dbraw/zinc/07/35/15/488073515.db2.gz LZCLXNKVBKGWFB-VIFPVBQESA-N 1 1 247.298 2.382 40 0 BEABMO Cc1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3C)oc1C ZINC000096184263 178003830 /nfs/dbraw/zinc/00/38/30/178003830.db2.gz UFIIQDCIMMNMSQ-UONOGXRCSA-N 1 1 234.343 2.175 40 0 BEABMO Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3C)oc1C ZINC000096184263 178003831 /nfs/dbraw/zinc/00/38/31/178003831.db2.gz UFIIQDCIMMNMSQ-UONOGXRCSA-N 1 1 234.343 2.175 40 0 BEABMO Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C)oc1C ZINC000096184263 178003832 /nfs/dbraw/zinc/00/38/32/178003832.db2.gz UFIIQDCIMMNMSQ-UONOGXRCSA-N 1 1 234.343 2.175 40 0 BEABMO CC(C)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000072361108 343980063 /nfs/dbraw/zinc/98/00/63/343980063.db2.gz SXCPPZPZCNCMJW-LBPRGKRZSA-N 1 1 219.332 2.312 40 0 BEABMO Cc1cc(CNc2[nH+]cccc2C)n(C)n1 ZINC000072226661 178044664 /nfs/dbraw/zinc/04/46/64/178044664.db2.gz JXUSAXXGFKBXMF-UHFFFAOYSA-N 1 1 216.288 2.044 40 0 BEABMO Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000038539802 178086003 /nfs/dbraw/zinc/08/60/03/178086003.db2.gz DOPXEIPYVQYVPR-CYBMUJFWSA-N 1 1 223.291 2.091 40 0 BEABMO Cc1cc(N)[nH+]cc1-c1ccc2c(c1)OCCO2 ZINC000094064296 178109758 /nfs/dbraw/zinc/10/97/58/178109758.db2.gz YVWZXKGFTOWWCD-UHFFFAOYSA-N 1 1 242.278 2.410 40 0 BEABMO Cc1cc(NCCC[NH3+])c2cc(F)ccc2n1 ZINC000222686984 178159207 /nfs/dbraw/zinc/15/92/07/178159207.db2.gz WTLTVDMVEUIYFK-UHFFFAOYSA-N 1 1 233.290 2.443 40 0 BEABMO OC[C@H](c1c(F)cccc1F)[NH+]1CCCCC1 ZINC000070452998 259313456 /nfs/dbraw/zinc/31/34/56/259313456.db2.gz CJAPEDYTPROFGH-GFCCVEGCSA-N 1 1 241.281 2.484 40 0 BEABMO CCC[C@H]([C@H](CC)CN(C)C)[NH+](C)C ZINC000001662277 342707347 /nfs/dbraw/zinc/70/73/47/342707347.db2.gz SJLKSOZBYOLBNB-VXGBXAGGSA-N 1 1 200.370 2.305 40 0 BEABMO Cc1cc(N)ncc1[C@H]1CCCC[N@@H+]1C ZINC000072218515 259318480 /nfs/dbraw/zinc/31/84/80/259318480.db2.gz LIDDDKNOHGGGSW-LLVKDONJSA-N 1 1 205.305 2.129 40 0 BEABMO C1COC(N[C@H]2CCC[C@@H]3CCCC[C@@H]32)=[NH+]1 ZINC000005190146 342759832 /nfs/dbraw/zinc/75/98/32/342759832.db2.gz ARGKDOYQHZOQEK-SRVKXCTJSA-N 1 1 222.332 2.321 40 0 BEABMO CCN(CC)c1ccc([C@H](C)O)c(C)[nH+]1 ZINC000072224303 259321948 /nfs/dbraw/zinc/32/19/48/259321948.db2.gz VNHXGGOIBVCLLQ-JTQLQIEISA-N 1 1 208.305 2.290 40 0 BEABMO CCN(CC)c1cc(C)c([C@@H](C)O)c[nH+]1 ZINC000072223260 259321590 /nfs/dbraw/zinc/32/15/90/259321590.db2.gz CSMATZUVUOZRCG-SNVBAGLBSA-N 1 1 208.305 2.290 40 0 BEABMO Fc1ccc(-c2n[nH]c([C@H]3CCC[NH2+]3)n2)cc1 ZINC000012114028 342846772 /nfs/dbraw/zinc/84/67/72/342846772.db2.gz WDPPEBUDKVVXTC-SNVBAGLBSA-N 1 1 232.262 2.035 40 0 BEABMO CC(C)c1ccc([C@@H]2C[N@@H+](C)C[C@@H]2CO)cc1 ZINC000217671646 398322714 /nfs/dbraw/zinc/32/27/14/398322714.db2.gz OLZNQGPPDNVRMI-CABCVRRESA-N 1 1 233.355 2.448 40 0 BEABMO Cc1ccc(C)c(CN2CCC([NH3+])CC2)c1 ZINC000038539877 178472073 /nfs/dbraw/zinc/47/20/73/178472073.db2.gz IWLHJFHLLJKHGC-UHFFFAOYSA-N 1 1 218.344 2.227 40 0 BEABMO C[C@@H](CNCc1ccccc1)[NH+]1CCCC1 ZINC000022073566 343039581 /nfs/dbraw/zinc/03/95/81/343039581.db2.gz XFAFMLBPIGURDY-ZDUSSCGKSA-N 1 1 218.344 2.261 40 0 BEABMO COC(=O)[C@@H](C(C)C)[N@H+]1CCCC[C@@H]1C ZINC000022123322 343040341 /nfs/dbraw/zinc/04/03/41/343040341.db2.gz LGVTXLWASYUXKR-WDEREUQCSA-N 1 1 213.321 2.058 40 0 BEABMO C[C@@H](CN1CCCCC1)[NH+]1CCCCC1 ZINC000022859151 343056098 /nfs/dbraw/zinc/05/60/98/343056098.db2.gz CKFAMVRZYMQMFF-ZDUSSCGKSA-N 1 1 210.365 2.347 40 0 BEABMO CCN(CC)CC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000023477133 343065122 /nfs/dbraw/zinc/06/51/22/343065122.db2.gz LDWNBSDGQACSSP-OKILXGFUSA-N 1 1 224.392 2.450 40 0 BEABMO CCN(CC)CC[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1 ZINC000023477135 343065167 /nfs/dbraw/zinc/06/51/67/343065167.db2.gz CICDOJLASYRIJX-XGUBFFRZSA-N 1 1 234.387 2.082 40 0 BEABMO [NH3+]CC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000034324808 343142503 /nfs/dbraw/zinc/14/25/03/343142503.db2.gz YHJKYNMAHQSKPP-UHFFFAOYSA-N 1 1 241.290 2.407 40 0 BEABMO C[C@@H]([NH2+]Cc1ccccc1)c1cc[nH]n1 ZINC000037906344 343360539 /nfs/dbraw/zinc/36/05/39/343360539.db2.gz KQGLAUZGLZGSGA-SNVBAGLBSA-N 1 1 201.273 2.261 40 0 BEABMO CC[C@H](C)[N@H+]1CCC[C@]2(CN(C(C)C)C2=O)C1 ZINC000585099689 344131859 /nfs/dbraw/zinc/13/18/59/344131859.db2.gz YIKDKAUOMQAHCL-GXTWGEPZSA-N 1 1 238.375 2.118 40 0 BEABMO CCC[N@H+]1CCC[C@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217960 344514094 /nfs/dbraw/zinc/51/40/94/344514094.db2.gz AGJVINAMUDZKQN-LBPRGKRZSA-N 1 1 220.316 2.230 40 0 BEABMO Cc1cccc([C@@H](C[NH3+])N2CCCC2)c1 ZINC000038808841 179184861 /nfs/dbraw/zinc/18/48/61/179184861.db2.gz BBSLVZVOUQMTNI-CYBMUJFWSA-N 1 1 204.317 2.091 40 0 BEABMO Cc1cccc([C@H](CN)[NH+]2CCCCC2)c1 ZINC000038809141 179199299 /nfs/dbraw/zinc/19/92/99/179199299.db2.gz MUCTYFFCYRIBAA-AWEZNQCLSA-N 1 1 218.344 2.481 40 0 BEABMO Cc1cccc([C@H]2CCC[N@@H+]2CCN)c1 ZINC000032553277 179204075 /nfs/dbraw/zinc/20/40/75/179204075.db2.gz XNAJNSLEVJKKIS-CYBMUJFWSA-N 1 1 204.317 2.091 40 0 BEABMO Cc1cccc([C@H]2CCC[N@H+]2CCN)c1 ZINC000032553277 179204078 /nfs/dbraw/zinc/20/40/78/179204078.db2.gz XNAJNSLEVJKKIS-CYBMUJFWSA-N 1 1 204.317 2.091 40 0 BEABMO Cc1ccccc1-c1n[nH]c([C@H]([NH3+])C(C)C)n1 ZINC000095534764 179238009 /nfs/dbraw/zinc/23/80/09/179238009.db2.gz DJTCDCZTZNLVCQ-LLVKDONJSA-N 1 1 230.315 2.436 40 0 BEABMO Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082320754 179301886 /nfs/dbraw/zinc/30/18/86/179301886.db2.gz LXAXRHOIOFKQQS-LBPRGKRZSA-N 1 1 232.327 2.275 40 0 BEABMO Cc1ccc([C@H](CN)[NH+]2CCCC2)cc1C ZINC000037179868 348032024 /nfs/dbraw/zinc/03/20/24/348032024.db2.gz INJUAPOOOREKPT-AWEZNQCLSA-N 1 1 218.344 2.399 40 0 BEABMO c1cc([C@H]2CCC[N@@H+]2C2CCCC2)n[nH]1 ZINC000205701322 348577768 /nfs/dbraw/zinc/57/77/68/348577768.db2.gz WFLZJWBFVGUTPQ-GFCCVEGCSA-N 1 1 205.305 2.489 40 0 BEABMO CC(C)[N@H+]1CCCC[C@H]1c1cc(CCO)on1 ZINC000205700396 348577871 /nfs/dbraw/zinc/57/78/71/348577871.db2.gz FWWLZOMDFQOGFL-ZDUSSCGKSA-N 1 1 238.331 2.145 40 0 BEABMO CC[NH+](CC)[C@@H](CN)c1cccc(F)c1 ZINC000022172296 349272502 /nfs/dbraw/zinc/27/25/02/349272502.db2.gz RSVDJBPUBHVGLL-LBPRGKRZSA-N 1 1 210.296 2.167 40 0 BEABMO Cc1nccn1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000072356938 180267927 /nfs/dbraw/zinc/26/79/27/180267927.db2.gz NTJDMPPNAHKLDL-ZDUSSCGKSA-N 1 1 221.348 2.312 40 0 BEABMO Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@@H](C)O[C@@H]2C1 ZINC000096045742 180318542 /nfs/dbraw/zinc/31/85/42/180318542.db2.gz PXIQIYUNNIWEQS-DVVUODLYSA-N 1 1 238.356 2.061 40 0 BEABMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000054603210 350752161 /nfs/dbraw/zinc/75/21/61/350752161.db2.gz PCADUFLDCLIHFR-AOOOYVTPSA-N 1 1 221.325 2.444 40 0 BEABMO COc1ccc(CNc2[nH+]cccc2N)cc1 ZINC000020278649 187828677 /nfs/dbraw/zinc/82/86/77/187828677.db2.gz PBPGZPNDGLJZHD-UHFFFAOYSA-N 1 1 229.283 2.285 40 0 BEABMO CCCC[C@@H](CC)C[N@H+]1CCNC[C@H]1C ZINC000134850841 358808787 /nfs/dbraw/zinc/80/87/87/358808787.db2.gz CTEYDSHQPCHLCV-CHWSQXEVSA-N 1 1 212.381 2.497 40 0 BEABMO CCCC[C@@H](CC)CN1CC[NH2+]C[C@H]1C ZINC000134850841 358808790 /nfs/dbraw/zinc/80/87/90/358808790.db2.gz CTEYDSHQPCHLCV-CHWSQXEVSA-N 1 1 212.381 2.497 40 0 BEABMO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cccnc3)C2)n1 ZINC000205688655 368358099 /nfs/dbraw/zinc/35/80/99/368358099.db2.gz FJJJJDCTLXNOIO-ZDUSSCGKSA-N 1 1 242.326 2.103 40 0 BEABMO CCN(C(C)=O)[C@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000205699787 368359395 /nfs/dbraw/zinc/35/93/95/368359395.db2.gz ZQRFNCHVCNWMJA-CYBMUJFWSA-N 1 1 238.375 2.262 40 0 BEABMO COc1ccc([C@@H](CN)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000108349911 369389655 /nfs/dbraw/zinc/38/96/55/369389655.db2.gz JQNIKZXOVAYJTM-SWLSCSKDSA-N 1 1 248.370 2.427 40 0 BEABMO COc1ccc([C@@H](CN)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000108349911 369389659 /nfs/dbraw/zinc/38/96/59/369389659.db2.gz JQNIKZXOVAYJTM-SWLSCSKDSA-N 1 1 248.370 2.427 40 0 BEABMO CCN(CC)C[C@@H]([NH3+])c1ccc(C)cc1 ZINC000019821190 371193028 /nfs/dbraw/zinc/19/30/28/371193028.db2.gz SNVZAIYZNMGLPC-CYBMUJFWSA-N 1 1 206.333 2.337 40 0 BEABMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000242548225 372208943 /nfs/dbraw/zinc/20/89/43/372208943.db2.gz LDYXEQLMMZDMQB-DABQJJPHSA-N 1 1 219.328 2.420 40 0 BEABMO OCC[N@@H+](Cc1cccc(Cl)c1)C1CC1 ZINC000048065322 183069789 /nfs/dbraw/zinc/06/97/89/183069789.db2.gz UYVBNTBLNBUAFX-UHFFFAOYSA-N 1 1 225.719 2.297 40 0 BEABMO O[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000004202942 183193634 /nfs/dbraw/zinc/19/36/34/183193634.db2.gz DIIHLEFTHZLGSR-CYBMUJFWSA-N 1 1 205.301 2.033 40 0 BEABMO c1cc([C@@H]2CCC[N@H+](Cc3cncs3)C2)n[nH]1 ZINC000121187157 183360474 /nfs/dbraw/zinc/36/04/74/183360474.db2.gz NDGZPNSUNNAHRK-SNVBAGLBSA-N 1 1 248.355 2.246 40 0 BEABMO CCC[C@@H](C(=O)c1ccc2c(c1)OCO2)[NH+](C)C ZINC000299817262 169347554 /nfs/dbraw/zinc/34/75/54/169347554.db2.gz PQTJKFUXRBKONZ-NSHDSACASA-N 1 1 249.310 2.328 40 0 in-vitro BEABMO C[N@H+](CCO)Cc1cccc(Cl)c1Cl ZINC000077253461 384065332 /nfs/dbraw/zinc/06/53/32/384065332.db2.gz HVASHYFLWWGFOL-UHFFFAOYSA-N 1 1 234.126 2.418 40 0 BEABMO C[N@@H+](CCO)Cc1cccc(Cl)c1Cl ZINC000077253461 384065335 /nfs/dbraw/zinc/06/53/35/384065335.db2.gz HVASHYFLWWGFOL-UHFFFAOYSA-N 1 1 234.126 2.418 40 0 BEABMO Cc1ccsc1C[N@@H+](CCO)C1CC1 ZINC000079436117 384146883 /nfs/dbraw/zinc/14/68/83/384146883.db2.gz ONTSKFJEGGFFNF-UHFFFAOYSA-N 1 1 211.330 2.013 40 0 BEABMO Cc1ccc([C@@H](O)CC[NH+]2CCOCC2)c(C)c1 ZINC000031938726 384182444 /nfs/dbraw/zinc/18/24/44/384182444.db2.gz NDQUWJCLZHVHBC-HNNXBMFYSA-N 1 1 249.354 2.059 40 0 BEABMO c1ccc([C@H]2CCC[N@@H+](C3CCOCC3)C2)nc1 ZINC000072381929 384218077 /nfs/dbraw/zinc/21/80/77/384218077.db2.gz AYRWFNVHGWTQKB-ZDUSSCGKSA-N 1 1 246.354 2.440 40 0 BEABMO CC(C)[N@H+]1CCO[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000072381401 384218110 /nfs/dbraw/zinc/21/81/10/384218110.db2.gz IYDIYSWPPOSSOL-CYBMUJFWSA-N 1 1 245.326 2.345 40 0 BEABMO Cc1nc(N)cc([C@@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000072387469 384220450 /nfs/dbraw/zinc/22/04/50/384220450.db2.gz FCRFAHAOBQUKQG-ZDUSSCGKSA-N 1 1 246.358 2.447 40 0 BEABMO C[N@H+](CCO)Cc1cc(Cl)ccc1Cl ZINC000079420124 384495465 /nfs/dbraw/zinc/49/54/65/384495465.db2.gz ZVBAJKQACDQQEJ-UHFFFAOYSA-N 1 1 234.126 2.418 40 0 BEABMO C[N@@H+](CCO)Cc1cc(Cl)ccc1Cl ZINC000079420124 384495474 /nfs/dbraw/zinc/49/54/74/384495474.db2.gz ZVBAJKQACDQQEJ-UHFFFAOYSA-N 1 1 234.126 2.418 40 0 BEABMO CC[N@@H+](CCO)Cc1ccc(SC)cc1 ZINC000049754591 384564859 /nfs/dbraw/zinc/56/48/59/384564859.db2.gz PYUIDBCBJJDMQL-UHFFFAOYSA-N 1 1 225.357 2.223 40 0 BEABMO CC(C)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000084400579 384700066 /nfs/dbraw/zinc/70/00/66/384700066.db2.gz JKKGYJZRDNQMOF-AWEZNQCLSA-N 1 1 219.328 2.279 40 0 BEABMO CC[C@@H](C)c1noc([C@H]2CCCC[NH2+]2)n1 ZINC000057340794 384937919 /nfs/dbraw/zinc/93/79/19/384937919.db2.gz VRWPVXKKPDTGPK-RKDXNWHRSA-N 1 1 209.293 2.398 40 0 BEABMO Cc1cc(NCc2ccccc2)[nH+]cc1CO ZINC000072223361 385112300 /nfs/dbraw/zinc/11/23/00/385112300.db2.gz DQFGFBIAQXCCLB-UHFFFAOYSA-N 1 1 228.295 2.494 40 0 BEABMO CC[C@H](O)c1c[nH+]c(N2CCCC2)cc1C ZINC000072223475 385113019 /nfs/dbraw/zinc/11/30/19/385113019.db2.gz ZGXRAFQUUUKFJX-LBPRGKRZSA-N 1 1 220.316 2.434 40 0 BEABMO Cc1cc(N2CCCC2)[nH+]cc1[C@H](C)O ZINC000072223474 385113458 /nfs/dbraw/zinc/11/34/58/385113458.db2.gz NBMDPWBCLDRSQW-JTQLQIEISA-N 1 1 206.289 2.044 40 0 BEABMO Cc1[nH+]c(N2CCCCC2)ccc1[C@@H](C)O ZINC000072224544 385120109 /nfs/dbraw/zinc/12/01/09/385120109.db2.gz BYBMEDUDPXTFNO-LLVKDONJSA-N 1 1 220.316 2.434 40 0 BEABMO CCOC(=O)N=c1ccc2[nH+]s[nH]c-2c1 ZINC000005473194 385121417 /nfs/dbraw/zinc/12/14/17/385121417.db2.gz VLYYSJOVMRSFAS-UHFFFAOYSA-N 1 1 223.257 2.260 40 0 BEABMO [NH3+][C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000072227330 385121720 /nfs/dbraw/zinc/12/17/20/385121720.db2.gz AAZUWUNMNWDQID-UONOGXRCSA-N 1 1 238.290 2.102 40 0 BEABMO Cc1cc(=O)[nH]cc1[C@H]1CCCC[N@@H+]1C ZINC000072218155 385101600 /nfs/dbraw/zinc/10/16/00/385101600.db2.gz MUMIHOHSBATYJF-LLVKDONJSA-N 1 1 206.289 2.252 40 0 BEABMO CC[N@H+]1CCC[C@@H]1c1cnc(N)cc1C ZINC000072218491 385102238 /nfs/dbraw/zinc/10/22/38/385102238.db2.gz PDRQJDZEHQMEDT-LLVKDONJSA-N 1 1 205.305 2.129 40 0 BEABMO CNc1cc(C)c([C@H]2CCC[N@H+]2C)cn1 ZINC000072219026 385105410 /nfs/dbraw/zinc/10/54/10/385105410.db2.gz KRQZAJVVAQLFEE-LLVKDONJSA-N 1 1 205.305 2.198 40 0 BEABMO CC(C)C(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000062108906 385156694 /nfs/dbraw/zinc/15/66/94/385156694.db2.gz KAWJAHNOISOICP-CQSZACIVSA-N 1 1 246.354 2.158 40 0 BEABMO CC(C)C(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000062108906 385156699 /nfs/dbraw/zinc/15/66/99/385156699.db2.gz KAWJAHNOISOICP-CQSZACIVSA-N 1 1 246.354 2.158 40 0 BEABMO CN(C)[C@H](CC[NH3+])c1cccc(Cl)c1 ZINC000041226731 385687068 /nfs/dbraw/zinc/68/70/68/385687068.db2.gz WKEJSKGEBMEZJS-LLVKDONJSA-N 1 1 212.724 2.292 40 0 BEABMO Cc1c[nH]c([C@H]2C[N@H+](C3CCCCC3)CCO2)n1 ZINC000257255379 385759455 /nfs/dbraw/zinc/75/94/55/385759455.db2.gz KHFGQXLMXJXDQN-CYBMUJFWSA-N 1 1 249.358 2.424 40 0 BEABMO C[C@@H](C[N@@H+]1CCNC[C@H]1C)c1ccccc1 ZINC000083349522 385904753 /nfs/dbraw/zinc/90/47/53/385904753.db2.gz PFCGFSCWLYDURJ-QWHCGFSZSA-N 1 1 218.344 2.084 40 0 BEABMO C[C@@H](C[N@H+]1CCNC[C@H]1C)c1ccccc1 ZINC000083349522 385904757 /nfs/dbraw/zinc/90/47/57/385904757.db2.gz PFCGFSCWLYDURJ-QWHCGFSZSA-N 1 1 218.344 2.084 40 0 BEABMO c1csc(CC[N@@H+]2CCN[C@H]3CCC[C@H]32)c1 ZINC000218843073 386242885 /nfs/dbraw/zinc/24/28/85/386242885.db2.gz QAUPJZQIGTZSKP-QWHCGFSZSA-N 1 1 236.384 2.117 40 0 BEABMO c1csc(CC[N@H+]2CCN[C@H]3CCC[C@H]32)c1 ZINC000218843073 386242889 /nfs/dbraw/zinc/24/28/89/386242889.db2.gz QAUPJZQIGTZSKP-QWHCGFSZSA-N 1 1 236.384 2.117 40 0 BEABMO CC(C)[C@H](C(=O)c1ccc2c(c1)OCO2)[NH+](C)C ZINC000575419574 387027312 /nfs/dbraw/zinc/02/73/12/387027312.db2.gz SZMQLCSYJQIPAH-CYBMUJFWSA-N 1 1 249.310 2.184 40 0 in-vitro BEABMO N[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000218853281 388393160 /nfs/dbraw/zinc/39/31/60/388393160.db2.gz MDLZPTBFVRHYHS-KGLIPLIRSA-N 1 1 218.344 2.089 40 0 BEABMO CCC[C@@H](C(=O)OC)[N@H+]1CCCC[C@H]1C ZINC000248126406 388674026 /nfs/dbraw/zinc/67/40/26/388674026.db2.gz XCUSXHHSDBPAFM-MNOVXSKESA-N 1 1 213.321 2.203 40 0 BEABMO Cc1[nH+]c(N)ccc1-c1ccc2c(c1)OCCO2 ZINC000091508285 388634009 /nfs/dbraw/zinc/63/40/09/388634009.db2.gz JEQIRMXIGMWYOM-UHFFFAOYSA-N 1 1 242.278 2.410 40 0 BEABMO CCCNc1ncc(C[NH2+]Cc2ccco2)cn1 ZINC000062717706 388656011 /nfs/dbraw/zinc/65/60/11/388656011.db2.gz ZIQNPEGJLFYSMV-UHFFFAOYSA-N 1 1 246.314 2.181 40 0 BEABMO O=Cc1ccccc1C[NH+]1CCSCC1 ZINC000095728620 388784339 /nfs/dbraw/zinc/78/43/39/388784339.db2.gz UXWLWCUWMSYKAX-UHFFFAOYSA-N 1 1 221.325 2.048 40 0 BEABMO C1CCC([N@H+]2CCN[C@@H]3CCCC[C@@H]32)C1 ZINC000225711473 388841129 /nfs/dbraw/zinc/84/11/29/388841129.db2.gz ZWKJNDZNZSTNMG-OLZOCXBDSA-N 1 1 208.349 2.145 40 0 BEABMO CCOC(=[NH2+])c1ccc(N2CCC(O)CC2)cc1 ZINC000089212559 132311457 /nfs/dbraw/zinc/31/14/57/132311457.db2.gz OWCANWHHJOWDCD-UHFFFAOYSA-N 1 1 248.326 2.010 40 0 BEABMO C[C@@H]1C[C@@H](C)CN(c2[nH+]cccc2N)C1 ZINC000020317211 132331268 /nfs/dbraw/zinc/33/12/68/132331268.db2.gz CWNKGXSVOUKHTA-NXEZZACHSA-N 1 1 205.305 2.146 40 0 BEABMO CC(C)n1ccc(C[NH2+]Cc2cccn2C)n1 ZINC000256049784 398040754 /nfs/dbraw/zinc/04/07/54/398040754.db2.gz BKXCFQHTQCVLHW-UHFFFAOYSA-N 1 1 232.331 2.092 40 0 BEABMO CC[N@H+]1CC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000072361095 170023810 /nfs/dbraw/zinc/02/38/10/170023810.db2.gz IHFWMDLQHPJENV-NSHDSACASA-N 1 1 215.300 2.372 40 0 BEABMO CC[N@H+]1CCc2ncc(Br)cc2C1 ZINC000096515764 170025208 /nfs/dbraw/zinc/02/52/08/170025208.db2.gz CRVHSJMZBIUZQL-UHFFFAOYSA-N 1 1 241.132 2.222 40 0 BEABMO CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832127 170099090 /nfs/dbraw/zinc/09/90/90/170099090.db2.gz JSGNIBHKHVBIFT-AWEZNQCLSA-N 1 1 246.354 2.035 40 0 BEABMO CCc1cc(N(C)Cc2cc(C)on2)nc(C)[nH+]1 ZINC000272953795 171759533 /nfs/dbraw/zinc/75/95/33/171759533.db2.gz YYRBDLYWCSBTLV-UHFFFAOYSA-N 1 1 246.314 2.280 40 0 BEABMO CCn1cc(-c2noc(C[NH3+])n2)c2ccccc21 ZINC000085397303 172149852 /nfs/dbraw/zinc/14/98/52/172149852.db2.gz RIYXIUTYIQZDEE-UHFFFAOYSA-N 1 1 242.282 2.170 40 0 BEABMO CCn1ncc(C)c1C[NH2+]Cc1ccco1 ZINC000256053628 172253629 /nfs/dbraw/zinc/25/36/29/172253629.db2.gz SEGXKRGBMVFWEN-UHFFFAOYSA-N 1 1 219.288 2.094 40 0 BEABMO CN1CC[N@H+](Cc2ccco2)Cc2cccnc21 ZINC000096198777 173090567 /nfs/dbraw/zinc/09/05/67/173090567.db2.gz RQEIEFUDWJXRBL-UHFFFAOYSA-N 1 1 243.310 2.127 40 0 BEABMO CN1CC[N@@H+](Cc2ccco2)Cc2cccnc21 ZINC000096198777 173090568 /nfs/dbraw/zinc/09/05/68/173090568.db2.gz RQEIEFUDWJXRBL-UHFFFAOYSA-N 1 1 243.310 2.127 40 0 BEABMO C[N@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC000096255371 173174113 /nfs/dbraw/zinc/17/41/13/173174113.db2.gz LBEKUWDLMKXNMB-UHFFFAOYSA-N 1 1 239.322 2.174 40 0 BEABMO COc1cc2c(cc1OC)C[N@@H+](C)[C@@H](C)C2 ZINC000001665749 175024401 /nfs/dbraw/zinc/02/44/01/175024401.db2.gz FPKSKXFZCSATTG-VIFPVBQESA-N 1 1 221.300 2.080 40 0 BEABMO COc1ccc(C)cc1Nc1cc(N)[nH+]c(C)n1 ZINC000049467335 175079242 /nfs/dbraw/zinc/07/92/42/175079242.db2.gz BNVYRTZPSNTVBT-UHFFFAOYSA-N 1 1 244.298 2.428 40 0 BEABMO COc1ccc(Nc2cc(N)[nH+]c(C)n2)cc1 ZINC000049467300 175156233 /nfs/dbraw/zinc/15/62/33/175156233.db2.gz IRYYVBDIEHPLTH-UHFFFAOYSA-N 1 1 230.271 2.119 40 0 BEABMO C[C@@H]1C[N@H+](CC/C=C/c2ccccc2)CCN1 ZINC000079439951 176284544 /nfs/dbraw/zinc/28/45/44/176284544.db2.gz MPPZBOYQAFNTCD-VZUFXWRPSA-N 1 1 230.355 2.384 40 0 BEABMO C[C@@H]1C[N@@H+](CC/C=C/c2ccccc2)CCN1 ZINC000079439951 176284545 /nfs/dbraw/zinc/28/45/45/176284545.db2.gz MPPZBOYQAFNTCD-VZUFXWRPSA-N 1 1 230.355 2.384 40 0 BEABMO C[C@@H]1CC(O)(c2ccccc2)C[C@H](C)[N@@H+]1C ZINC000004728783 177065898 /nfs/dbraw/zinc/06/58/98/177065898.db2.gz SFCKGVRRVILRML-ONXXMXGDSA-N 1 1 219.328 2.377 40 0 BEABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccs1 ZINC000072324421 177280369 /nfs/dbraw/zinc/28/03/69/177280369.db2.gz AUFZOEMMLVUAKW-NWDGAFQWSA-N 1 1 236.384 2.417 40 0 BEABMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)C[C@@H]1O ZINC000004697432 177374420 /nfs/dbraw/zinc/37/44/20/177374420.db2.gz LDTHAFXMNUJREZ-DYEKYZERSA-N 1 1 219.328 2.278 40 0 BEABMO Clc1cccc(CNC[C@H]2CCC[NH2+]C2)c1 ZINC000072202843 487995162 /nfs/dbraw/zinc/99/51/62/487995162.db2.gz LXZUYDDWGZWIRD-LBPRGKRZSA-N 1 1 238.762 2.429 40 0 BEABMO C[N@H+]1CCC[C@H]1C[C@@H]1CNc2cccc(O)c21 ZINC000214474757 1167037312 /nfs/dbraw/zinc/03/73/12/1167037312.db2.gz IEZDBJGTSJCFTD-MNOVXSKESA-N 1 1 232.327 2.386 40 0 BEABMO CC[N@H+]1CCC[C@H](c2[nH]nc3ncccc32)C1 ZINC000072350737 343979545 /nfs/dbraw/zinc/97/95/45/343979545.db2.gz XGVCVIVWTFWOGF-JTQLQIEISA-N 1 1 230.315 2.157 40 0 BEABMO Cc1cc(=O)[nH]c([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072348457 178203692 /nfs/dbraw/zinc/20/36/92/178203692.db2.gz FCNWSZJQZWTJKE-NSHDSACASA-N 1 1 235.331 2.078 40 0 BEABMO Cc1cc([C@@H]2CCC[N@@H+]2CCN)sc1C ZINC000022763076 178240712 /nfs/dbraw/zinc/24/07/12/178240712.db2.gz WANDVQYSFFJOEI-NSHDSACASA-N 1 1 224.373 2.461 40 0 BEABMO Cc1cc([C@@H]2CCC[N@H+]2CCN)sc1C ZINC000022763076 178240714 /nfs/dbraw/zinc/24/07/14/178240714.db2.gz WANDVQYSFFJOEI-NSHDSACASA-N 1 1 224.373 2.461 40 0 BEABMO Cc1cc([C@H]2CCC[N@@H+]2CCN)sc1C ZINC000022763080 178267070 /nfs/dbraw/zinc/26/70/70/178267070.db2.gz WANDVQYSFFJOEI-LLVKDONJSA-N 1 1 224.373 2.461 40 0 BEABMO Cc1cc([C@H]2CCC[N@H+]2CCN)sc1C ZINC000022763080 178267073 /nfs/dbraw/zinc/26/70/73/178267073.db2.gz WANDVQYSFFJOEI-LLVKDONJSA-N 1 1 224.373 2.461 40 0 BEABMO Cc1ccc(-c2noc([C@@H](C)[NH3+])n2)cc1C ZINC000074110306 178344075 /nfs/dbraw/zinc/34/40/75/178344075.db2.gz XTTOJAALNMNILG-SECBINFHSA-N 1 1 217.272 2.373 40 0 BEABMO c1ccc(CCCCN2CCC[NH2+]CC2)cc1 ZINC000071536510 259314539 /nfs/dbraw/zinc/31/45/39/259314539.db2.gz XBDHOVMOYHPENB-UHFFFAOYSA-N 1 1 232.371 2.305 40 0 BEABMO c1ccc(CCCC[N@@H+]2CCCNCC2)cc1 ZINC000071536510 259314541 /nfs/dbraw/zinc/31/45/41/259314541.db2.gz XBDHOVMOYHPENB-UHFFFAOYSA-N 1 1 232.371 2.305 40 0 BEABMO c1ccc(CCCC[N@H+]2CCCNCC2)cc1 ZINC000071536510 259314542 /nfs/dbraw/zinc/31/45/42/259314542.db2.gz XBDHOVMOYHPENB-UHFFFAOYSA-N 1 1 232.371 2.305 40 0 BEABMO CCO[C@H](C[NH+](C)C)C(Cl)(Cl)Cl ZINC000002031766 342714871 /nfs/dbraw/zinc/71/48/71/342714871.db2.gz FZCUAQVZBBAPEK-ZCFIWIBFSA-N 1 1 234.554 2.323 40 0 BEABMO Cc1nc(N)ccc1[C@H]1CCCC[N@@H+]1C ZINC000072218575 259318088 /nfs/dbraw/zinc/31/80/88/259318088.db2.gz UEKDFUSKQWKHJN-LLVKDONJSA-N 1 1 205.305 2.129 40 0 BEABMO C[N@H+]1CCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213763 259318416 /nfs/dbraw/zinc/31/84/16/259318416.db2.gz MGBUQNKEGUXJQF-GFCCVEGCSA-N 1 1 217.316 2.423 40 0 BEABMO Cc1cc([C@H]2CCCC[N@@H+]2C)cnc1N ZINC000072218455 259318419 /nfs/dbraw/zinc/31/84/19/259318419.db2.gz YFECOKMUPBSPOH-LLVKDONJSA-N 1 1 205.305 2.129 40 0 BEABMO Cc1cc(CCO)c[nH+]c1N1CCCCCC1 ZINC000072222499 259319940 /nfs/dbraw/zinc/31/99/40/259319940.db2.gz QOHXGUADQFJXOI-UHFFFAOYSA-N 1 1 234.343 2.305 40 0 BEABMO CC[C@H](O)c1ccc(N2CCCC2)[nH+]c1C ZINC000072224519 259322102 /nfs/dbraw/zinc/32/21/02/259322102.db2.gz KPZOHTZBQRWSKJ-LBPRGKRZSA-N 1 1 220.316 2.434 40 0 BEABMO C[N@@H+]1C[C@@H](c2cccc3ccccc32)[C@H](CO)C1 ZINC000217672064 398322615 /nfs/dbraw/zinc/32/26/15/398322615.db2.gz ZNNSSQQNZDAPMD-XJKSGUPXSA-N 1 1 241.334 2.477 40 0 BEABMO C[C@H](CNCc1ccccc1)[NH+]1CCCC1 ZINC000022073568 343039621 /nfs/dbraw/zinc/03/96/21/343039621.db2.gz XFAFMLBPIGURDY-CYBMUJFWSA-N 1 1 218.344 2.261 40 0 BEABMO CC[C@](C)(C(=O)OC)[N@H+]1CCC[C@@H](C)C1 ZINC000022123470 343040423 /nfs/dbraw/zinc/04/04/23/343040423.db2.gz MGVMHLJMIWYJRP-ZYHUDNBSSA-N 1 1 213.321 2.060 40 0 BEABMO Clc1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000038040791 343367402 /nfs/dbraw/zinc/36/74/02/343367402.db2.gz MZGDTBUVBNLABG-UHFFFAOYSA-N 1 1 224.735 2.182 40 0 BEABMO CCCC[C@H](CC)C[N@H+]1CCCNCC1 ZINC000043454335 343472744 /nfs/dbraw/zinc/47/27/44/343472744.db2.gz AJNBJXDYOHWIEI-ZDUSSCGKSA-N 1 1 212.381 2.498 40 0 BEABMO CCCC[C@H](CC)CN1CCC[NH2+]CC1 ZINC000043454335 343472746 /nfs/dbraw/zinc/47/27/46/343472746.db2.gz AJNBJXDYOHWIEI-ZDUSSCGKSA-N 1 1 212.381 2.498 40 0 BEABMO Cc1nc(Nc2ccccc2)cc(N)[nH+]1 ZINC000049467246 343598815 /nfs/dbraw/zinc/59/88/15/343598815.db2.gz KABBFDPYWKIONC-UHFFFAOYSA-N 1 1 200.245 2.111 40 0 BEABMO Cc1nc(N)cc(Nc2ccccc2)[nH+]1 ZINC000049467246 343598817 /nfs/dbraw/zinc/59/88/17/343598817.db2.gz KABBFDPYWKIONC-UHFFFAOYSA-N 1 1 200.245 2.111 40 0 BEABMO Cc1ccc(Nc2cc(N)[nH+]c(C)n2)cc1 ZINC000049467250 343598845 /nfs/dbraw/zinc/59/88/45/343598845.db2.gz GLLJWMUUBQUVQK-UHFFFAOYSA-N 1 1 214.272 2.419 40 0 BEABMO CC[C@@H](C)[N@H+]1CCC[C@]2(CN(C(C)C)C2=O)C1 ZINC000585099692 344132665 /nfs/dbraw/zinc/13/26/65/344132665.db2.gz YIKDKAUOMQAHCL-TZMCWYRMSA-N 1 1 238.375 2.118 40 0 BEABMO Cc1nc([C@@]2(C)CCC[N@H+](C)C2)cc2cncn21 ZINC000585261104 344372928 /nfs/dbraw/zinc/37/29/28/344372928.db2.gz LLGNLBKMUKLEPT-AWEZNQCLSA-N 1 1 244.342 2.021 40 0 BEABMO OCc1cc2c([nH]1)CC[N@@H+](Cc1ccccc1)C2 ZINC000072206955 344510561 /nfs/dbraw/zinc/51/05/61/344510561.db2.gz KZWRURPTRKLJSY-UHFFFAOYSA-N 1 1 242.322 2.065 40 0 BEABMO Cc1cc([C@@H]2CCC[N@@H+]2CC(C)C)c[nH]c1=O ZINC000072217961 344514042 /nfs/dbraw/zinc/51/40/42/344514042.db2.gz BHGSUFHXYHMOHZ-ZDUSSCGKSA-N 1 1 234.343 2.476 40 0 BEABMO Nc1ccc[nH+]c1NCCc1ccccc1 ZINC000020278636 346781369 /nfs/dbraw/zinc/78/13/69/346781369.db2.gz AHVRYQBUUAZWMF-UHFFFAOYSA-N 1 1 213.284 2.318 40 0 BEABMO C[C@H]([NH3+])c1nc(-c2cccc(Cl)c2)no1 ZINC000019785455 347281024 /nfs/dbraw/zinc/28/10/24/347281024.db2.gz PXEQJKNOHRWGHR-LURJTMIESA-N 1 1 223.663 2.410 40 0 BEABMO Cc1ccccc1C[N@H+](CCO)C(C)C ZINC000049826049 179271840 /nfs/dbraw/zinc/27/18/40/179271840.db2.gz CELMUADGUWVPNV-UHFFFAOYSA-N 1 1 207.317 2.198 40 0 BEABMO Cc1c(CNc2[nH+]cccc2C)cnn1C ZINC000072226657 179395839 /nfs/dbraw/zinc/39/58/39/179395839.db2.gz YWYYAOOIUQGKQM-UHFFFAOYSA-N 1 1 216.288 2.044 40 0 BEABMO c1cc([C@H]2CCCC[N@H+]2C2CCOCC2)n[nH]1 ZINC000205701076 348578131 /nfs/dbraw/zinc/57/81/31/348578131.db2.gz FKZSPYBZLWPCSO-CYBMUJFWSA-N 1 1 235.331 2.116 40 0 BEABMO Cc1ccc2nc(C[NH2+]C(C)C)[nH]c2c1 ZINC000022122043 350083669 /nfs/dbraw/zinc/08/36/69/350083669.db2.gz QNHKSYLPJPAIIN-UHFFFAOYSA-N 1 1 203.289 2.369 40 0 BEABMO Cc1nc2c(s1)[C@@H](c1ccco1)[NH2+]CC2 ZINC000028428651 180074592 /nfs/dbraw/zinc/07/45/92/180074592.db2.gz WRZWOIMKWHLHBB-SNVBAGLBSA-N 1 1 220.297 2.280 40 0 BEABMO Cc1nccc([C@@H]2C[N@@H+](C3CCCC3)CCO2)n1 ZINC000257304249 180207507 /nfs/dbraw/zinc/20/75/07/180207507.db2.gz SKSURSFCXCXWQE-AWEZNQCLSA-N 1 1 247.342 2.101 40 0 BEABMO Cc1nccc([C@@H]2C[N@H+](C3CCCC3)CCO2)n1 ZINC000257304249 180207512 /nfs/dbraw/zinc/20/75/12/180207512.db2.gz SKSURSFCXCXWQE-AWEZNQCLSA-N 1 1 247.342 2.101 40 0 BEABMO COc1ccc(OC)c([C@H]2CCC[N@H+]2C)c1 ZINC000061799039 538782637 /nfs/dbraw/zinc/78/26/37/538782637.db2.gz IJKQMSYACZBDOL-GFCCVEGCSA-N 1 1 221.300 2.471 40 0 BEABMO CC(C)c1nnc([C@@H]([NH3+])Cc2ccccc2)o1 ZINC000011586922 370726754 /nfs/dbraw/zinc/72/67/54/370726754.db2.gz LYKHKRDAKKDAKY-NSHDSACASA-N 1 1 231.299 2.436 40 0 BEABMO Cc1cnc([C@H](C)Nc2cc[nH+]c(N(C)C)n2)o1 ZINC000235555926 541390326 /nfs/dbraw/zinc/39/03/26/541390326.db2.gz RUYABTSKKWNTCM-VIFPVBQESA-N 1 1 247.302 2.012 40 0 BEABMO Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3ccncc3)C2)n1 ZINC000205694731 368358737 /nfs/dbraw/zinc/35/87/37/368358737.db2.gz ZDDBLBDIIDRJRV-CYBMUJFWSA-N 1 1 242.326 2.103 40 0 BEABMO CN1[C@@H]2CCCC[C@H]2[N@@H+](C)[C@@H]2CCCC[C@@H]21 ZINC000115070490 370620469 /nfs/dbraw/zinc/62/04/69/370620469.db2.gz LODHMOLPIMTBHV-SYQHCUMBSA-N 1 1 222.376 2.486 40 0 BEABMO CN1[C@@H]2CCCC[C@H]2[N@H+](C)[C@@H]2CCCC[C@@H]21 ZINC000115070490 370620471 /nfs/dbraw/zinc/62/04/71/370620471.db2.gz LODHMOLPIMTBHV-SYQHCUMBSA-N 1 1 222.376 2.486 40 0 BEABMO OC1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000038539555 183029379 /nfs/dbraw/zinc/02/93/79/183029379.db2.gz VXTFYEZFQVQGRE-UHFFFAOYSA-N 1 1 243.709 2.436 40 0 BEABMO CCCC[C@]([NH3+])(C(=O)OC)c1ccccc1 ZINC000021299088 169015435 /nfs/dbraw/zinc/01/54/35/169015435.db2.gz GTGCPCXBADEBNA-CYBMUJFWSA-N 1 1 221.300 2.204 40 0 BEABMO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000043367778 183215332 /nfs/dbraw/zinc/21/53/32/183215332.db2.gz YVSFZFJTNXEQJG-NSHDSACASA-N 1 1 245.244 2.186 40 0 BEABMO O[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000061709115 183239959 /nfs/dbraw/zinc/23/99/59/183239959.db2.gz LKFUGDILXFUNLB-NSHDSACASA-N 1 1 245.244 2.272 40 0 BEABMO O[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000038538771 183240097 /nfs/dbraw/zinc/24/00/97/183240097.db2.gz DIKHZYCRYILMSO-VIFPVBQESA-N 1 1 229.682 2.046 40 0 BEABMO O[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000038538771 183240099 /nfs/dbraw/zinc/24/00/99/183240099.db2.gz DIKHZYCRYILMSO-VIFPVBQESA-N 1 1 229.682 2.046 40 0 BEABMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1ccccn1)CC2 ZINC000019401594 183253221 /nfs/dbraw/zinc/25/32/21/183253221.db2.gz RPRHYUWMVLXVKX-ZFWWWQNUSA-N 1 1 246.354 2.209 40 0 BEABMO c1ccc(CN(C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000079437988 183397622 /nfs/dbraw/zinc/39/76/22/183397622.db2.gz LXGNUKBPISEFSE-CQSZACIVSA-N 1 1 230.355 2.261 40 0 BEABMO CCCc1nc([C@@H]2CCCCC[NH2+]2)no1 ZINC000159522354 169593129 /nfs/dbraw/zinc/59/31/29/169593129.db2.gz MOKODIYQKLXQED-VIFPVBQESA-N 1 1 209.293 2.227 40 0 BEABMO CC(C)[N@@H+](CCO)Cc1cccc(F)c1 ZINC000049825835 383819648 /nfs/dbraw/zinc/81/96/48/383819648.db2.gz NYIDRYXWMCUUMM-UHFFFAOYSA-N 1 1 211.280 2.028 40 0 BEABMO CN(C)CCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000001676227 383919707 /nfs/dbraw/zinc/91/97/07/383919707.db2.gz KPIFYCALUBLAEA-BETUJISGSA-N 1 1 210.365 2.060 40 0 BEABMO CN(C)CCC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000001676227 383919713 /nfs/dbraw/zinc/91/97/13/383919713.db2.gz KPIFYCALUBLAEA-BETUJISGSA-N 1 1 210.365 2.060 40 0 BEABMO CN(C)CCC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000001676228 383920952 /nfs/dbraw/zinc/92/09/52/383920952.db2.gz KPIFYCALUBLAEA-CHWSQXEVSA-N 1 1 210.365 2.060 40 0 BEABMO CC(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000001717760 383927722 /nfs/dbraw/zinc/92/77/22/383927722.db2.gz OTICEGQZKVSVIB-CQSZACIVSA-N 1 1 233.311 2.214 40 0 BEABMO C[C@H](C[N@@H+]1CCNC[C@H]1C)c1ccccc1 ZINC000071978858 384191930 /nfs/dbraw/zinc/19/19/30/384191930.db2.gz PFCGFSCWLYDURJ-CHWSQXEVSA-N 1 1 218.344 2.084 40 0 BEABMO C[C@H](C[N@H+]1CCNC[C@H]1C)c1ccccc1 ZINC000071978858 384191938 /nfs/dbraw/zinc/19/19/38/384191938.db2.gz PFCGFSCWLYDURJ-CHWSQXEVSA-N 1 1 218.344 2.084 40 0 BEABMO CC(C)[N@H+]1CCC[C@H](c2ccnc(N(C)C)n2)C1 ZINC000072356989 384211669 /nfs/dbraw/zinc/21/16/69/384211669.db2.gz OFJFZBDPAIXHCN-LBPRGKRZSA-N 1 1 248.374 2.130 40 0 BEABMO Cc1ccc(C)c(-c2noc([C@H](C)[NH3+])n2)c1 ZINC000074110312 384273381 /nfs/dbraw/zinc/27/33/81/384273381.db2.gz DIIPLDDWJSTUQX-VIFPVBQESA-N 1 1 217.272 2.373 40 0 BEABMO COc1ccc(C[C@H]2C[N@H+](C)CC[C@H]2OC)cc1 ZINC000096110267 384435905 /nfs/dbraw/zinc/43/59/05/384435905.db2.gz JTUOXRAFRPPPHU-DZGCQCFKSA-N 1 1 249.354 2.204 40 0 BEABMO c1coc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CC2CC2)c1 ZINC000096184391 384440061 /nfs/dbraw/zinc/44/00/61/384440061.db2.gz FPALAYLYOXKNNG-LSDHHAIUSA-N 1 1 246.354 2.338 40 0 BEABMO c1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]C3)cc1 ZINC000020286456 384609261 /nfs/dbraw/zinc/60/92/61/384609261.db2.gz JDYIDFQYKVUYEK-GJZGRUSLSA-N 1 1 230.355 2.261 40 0 BEABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000082306118 384663605 /nfs/dbraw/zinc/66/36/05/384663605.db2.gz KPIJBNIEQKRTLM-GXTWGEPZSA-N 1 1 246.354 2.206 40 0 BEABMO [NH3+]CC(=O)c1cc(Cl)cc(Br)c1 ZINC000084574862 384882669 /nfs/dbraw/zinc/88/26/69/384882669.db2.gz NEVSPROIZPRZCI-UHFFFAOYSA-N 1 1 248.507 2.244 40 0 BEABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N ZINC000072212422 385075414 /nfs/dbraw/zinc/07/54/14/385075414.db2.gz HHMXSNMTRRKTPH-LBPRGKRZSA-N 1 1 219.332 2.457 40 0 BEABMO CCC[N@H+]1CCC[C@@H]1c1ccc[nH]c1=O ZINC000072212307 385076675 /nfs/dbraw/zinc/07/66/75/385076675.db2.gz HJUXTPOYTZAHRF-LLVKDONJSA-N 1 1 206.289 2.334 40 0 BEABMO CC(C)[C@@H]([NH3+])c1nc(-c2ccc(F)cc2)n[nH]1 ZINC000095534693 385044857 /nfs/dbraw/zinc/04/48/57/385044857.db2.gz NTQMZAIAUCPJTP-SNVBAGLBSA-N 1 1 234.278 2.267 40 0 BEABMO Cc1[nH]c(=S)ccc1[C@@H]1CCC[N@@H+]1C ZINC000072218365 385099861 /nfs/dbraw/zinc/09/98/61/385099861.db2.gz SQHFUSWYIIBCTA-JTQLQIEISA-N 1 1 208.330 2.445 40 0 BEABMO Cc1cc(N(C)C)[nH+]cc1[C@H]1CCCCN1C=O ZINC000072218713 385103768 /nfs/dbraw/zinc/10/37/68/385103768.db2.gz POAFCQZQHFLNSM-CYBMUJFWSA-N 1 1 247.342 2.139 40 0 BEABMO Cn1cccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193856448 385415564 /nfs/dbraw/zinc/41/55/64/385415564.db2.gz XTXGJDUMHJWIKD-GFCCVEGCSA-N 1 1 244.342 2.128 40 0 BEABMO Cn1cccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000193856448 385415566 /nfs/dbraw/zinc/41/55/66/385415566.db2.gz XTXGJDUMHJWIKD-GFCCVEGCSA-N 1 1 244.342 2.128 40 0 BEABMO Cn1cccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000193856448 385415570 /nfs/dbraw/zinc/41/55/70/385415570.db2.gz XTXGJDUMHJWIKD-GFCCVEGCSA-N 1 1 244.342 2.128 40 0 BEABMO Clc1cccc(C[N@@H+]2CC[C@@H]3O[C@@H]3C2)c1 ZINC000095097776 385449986 /nfs/dbraw/zinc/44/99/86/385449986.db2.gz GJWCZAAYXFCFHP-NWDGAFQWSA-N 1 1 223.703 2.313 40 0 BEABMO Clc1cccc(C[N@H+]2CC[C@@H]3O[C@@H]3C2)c1 ZINC000095097776 385449990 /nfs/dbraw/zinc/44/99/90/385449990.db2.gz GJWCZAAYXFCFHP-NWDGAFQWSA-N 1 1 223.703 2.313 40 0 BEABMO O=Cc1cccc(C[NH+]2CCSCC2)c1 ZINC000095728625 385593545 /nfs/dbraw/zinc/59/35/45/385593545.db2.gz ZFIRBKPGMZDOEF-UHFFFAOYSA-N 1 1 221.325 2.048 40 0 BEABMO C(C[NH+]1CCCCCC1)c1nc(C2CC2)n[nH]1 ZINC000062719485 385728946 /nfs/dbraw/zinc/72/89/46/385728946.db2.gz SHXVCNDSOMSRLF-UHFFFAOYSA-N 1 1 234.347 2.101 40 0 BEABMO C(C[NH+]1CCCCCC1)c1n[nH]c(C2CC2)n1 ZINC000062719485 385728948 /nfs/dbraw/zinc/72/89/48/385728948.db2.gz SHXVCNDSOMSRLF-UHFFFAOYSA-N 1 1 234.347 2.101 40 0 BEABMO Cc1c[nH]c([C@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000257207741 385752664 /nfs/dbraw/zinc/75/26/64/385752664.db2.gz BJAJGLCQKUNPEY-LBPRGKRZSA-N 1 1 249.358 2.077 40 0 BEABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000257237854 385756337 /nfs/dbraw/zinc/75/63/37/385756337.db2.gz HIMTWKHQLQMUCM-CYBMUJFWSA-N 1 1 242.326 2.103 40 0 BEABMO CO[C@H]1C[N@H+](C2CCCC2)CC[C@@]12CCCO2 ZINC000257262849 385757372 /nfs/dbraw/zinc/75/73/72/385757372.db2.gz LNEIGNDIQBXHAH-KBPBESRZSA-N 1 1 239.359 2.199 40 0 BEABMO CC(C)(C)c1noc([C@H]2CCCC[NH2+]2)n1 ZINC000020561188 385768041 /nfs/dbraw/zinc/76/80/41/385768041.db2.gz VLQGKBVCBAOFFQ-MRVPVSSYSA-N 1 1 209.293 2.182 40 0 BEABMO C[C@H]([NH3+])c1nc([C@H]2CCCSCC2)no1 ZINC000575415023 387023494 /nfs/dbraw/zinc/02/34/94/387023494.db2.gz JKBMUVKUIXMOCV-YUMQZZPRSA-N 1 1 227.333 2.090 40 0 BEABMO Cc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000072324612 387648804 /nfs/dbraw/zinc/64/88/04/387648804.db2.gz UYQGLBTWCVURPF-YPMHNXCESA-N 1 1 234.343 2.257 40 0 BEABMO CC(C)Cn1nccc1C[NH2+]Cc1ccco1 ZINC000256050160 387858106 /nfs/dbraw/zinc/85/81/06/387858106.db2.gz CYWGEKGUVMBXBG-UHFFFAOYSA-N 1 1 233.315 2.422 40 0 BEABMO Cc1csc([C@H]([NH3+])c2ccccc2)n1 ZINC000058376828 388009790 /nfs/dbraw/zinc/00/97/90/388009790.db2.gz TUHLDLXNTQTBCO-SNVBAGLBSA-N 1 1 204.298 2.500 40 0 BEABMO Cc1c(F)cccc1C[N@H+]1CCC[C@H](O)C1 ZINC000038539536 388373910 /nfs/dbraw/zinc/37/39/10/388373910.db2.gz AWVQVVMEUNBPQU-LBPRGKRZSA-N 1 1 223.291 2.091 40 0 BEABMO CC(C)c1ccc([C@@H]2C[N@@H+](C)C[C@H]2CO)cc1 ZINC000242592196 388399803 /nfs/dbraw/zinc/39/98/03/388399803.db2.gz OLZNQGPPDNVRMI-GJZGRUSLSA-N 1 1 233.355 2.448 40 0 BEABMO C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000242649035 388400054 /nfs/dbraw/zinc/40/00/54/388400054.db2.gz RSFGURGCIUVVEK-KFWWJZLASA-N 1 1 236.403 2.498 40 0 BEABMO CCC[C@H](C(=O)c1ccc2c(c1)OCO2)[NH+](C)C ZINC000299817261 388617971 /nfs/dbraw/zinc/61/79/71/388617971.db2.gz PQTJKFUXRBKONZ-LLVKDONJSA-N 1 1 249.310 2.328 40 0 in-vitro BEABMO C[C@H](NC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000038040625 388576550 /nfs/dbraw/zinc/57/65/50/388576550.db2.gz KLIHGWHMEAEHKN-JTQLQIEISA-N 1 1 222.307 2.228 40 0 BEABMO N[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000218857436 388585584 /nfs/dbraw/zinc/58/55/84/388585584.db2.gz GTUUAWHXFFOHNE-VXGBXAGGSA-N 1 1 224.373 2.150 40 0 BEABMO COC(=O)[C@@H](C(C)C)[N@H+]1CCCC[C@H]1C ZINC000248232640 388675315 /nfs/dbraw/zinc/67/53/15/388675315.db2.gz LGVTXLWASYUXKR-GHMZBOCLSA-N 1 1 213.321 2.058 40 0 BEABMO C[N@H+]1C[C@@H](CO)[C@@H](c2cccc3ccccc32)C1 ZINC000225608886 388623446 /nfs/dbraw/zinc/62/34/46/388623446.db2.gz ZNNSSQQNZDAPMD-BBRMVZONSA-N 1 1 241.334 2.477 40 0 BEABMO c1csc(CC[N@@H+]2CCN[C@H]3CCC[C@@H]32)c1 ZINC000225716157 388840685 /nfs/dbraw/zinc/84/06/85/388840685.db2.gz QAUPJZQIGTZSKP-STQMWFEESA-N 1 1 236.384 2.117 40 0 BEABMO c1csc(CC[N@H+]2CCN[C@H]3CCC[C@@H]32)c1 ZINC000225716157 388840688 /nfs/dbraw/zinc/84/06/88/388840688.db2.gz QAUPJZQIGTZSKP-STQMWFEESA-N 1 1 236.384 2.117 40 0 BEABMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000408729189 133448667 /nfs/dbraw/zinc/44/86/67/133448667.db2.gz BDFAQKYUIBPFQG-ZDUSSCGKSA-N 1 1 218.344 2.465 40 0 BEABMO c1csc(-c2n[nH]c(C3CC[NH2+]CC3)n2)c1 ZINC000054700170 398070848 /nfs/dbraw/zinc/07/08/48/398070848.db2.gz MTUCYSHYKGDIRW-UHFFFAOYSA-N 1 1 234.328 2.000 40 0 BEABMO c1csc(-c2nc(C3CC[NH2+]CC3)n[nH]2)c1 ZINC000054700170 398070850 /nfs/dbraw/zinc/07/08/50/398070850.db2.gz MTUCYSHYKGDIRW-UHFFFAOYSA-N 1 1 234.328 2.000 40 0 BEABMO CCN1CC[C@@]12CC[N@@H+](CCc1ccccc1)C2 ZINC000096075907 170013646 /nfs/dbraw/zinc/01/36/46/170013646.db2.gz ZQOAVMWMIOCHFC-MRXNPFEDSA-N 1 1 244.382 2.399 40 0 BEABMO CC[N@@H+]1CC[C@@]12CCN(CCc1ccccc1)C2 ZINC000096075907 170013649 /nfs/dbraw/zinc/01/36/49/170013649.db2.gz ZQOAVMWMIOCHFC-MRXNPFEDSA-N 1 1 244.382 2.399 40 0 BEABMO CC[N@H+]1CC[C@@]12CCN(CCc1ccccc1)C2 ZINC000096075907 170013651 /nfs/dbraw/zinc/01/36/51/170013651.db2.gz ZQOAVMWMIOCHFC-MRXNPFEDSA-N 1 1 244.382 2.399 40 0 BEABMO CC[N@H+]1CC[C@@]12CCN(Cc1ccccc1F)C2 ZINC000096090184 170014439 /nfs/dbraw/zinc/01/44/39/170014439.db2.gz BSECRFUCVOVEKD-OAHLLOKOSA-N 1 1 248.345 2.496 40 0 BEABMO CCN1CC[C@@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000096090184 170014441 /nfs/dbraw/zinc/01/44/41/170014441.db2.gz BSECRFUCVOVEKD-OAHLLOKOSA-N 1 1 248.345 2.496 40 0 BEABMO CCN1CC[C@@]12CC[N@@H+](Cc1ccccc1F)C2 ZINC000096090184 170014443 /nfs/dbraw/zinc/01/44/43/170014443.db2.gz BSECRFUCVOVEKD-OAHLLOKOSA-N 1 1 248.345 2.496 40 0 BEABMO C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000034300805 173023050 /nfs/dbraw/zinc/02/30/50/173023050.db2.gz AAWGPUXIHPRTHQ-SNVBAGLBSA-N 1 1 215.300 2.372 40 0 BEABMO C[N@H+]1CCC[C@@]12CCCN(Cc1ccco1)C2 ZINC000096214678 173039938 /nfs/dbraw/zinc/03/99/38/173039938.db2.gz ZQJVTRPCCHAGGU-AWEZNQCLSA-N 1 1 234.343 2.340 40 0 BEABMO C[N@H+]1CC[C@H](Cc2ccnc(Cl)c2)C1 ZINC000205699844 173146499 /nfs/dbraw/zinc/14/64/99/173146499.db2.gz AKJURBGTIUHRNC-SNVBAGLBSA-N 1 1 210.708 2.229 40 0 BEABMO C[NH2+]CCCNCc1cccc(Cl)c1 ZINC000057362398 173349833 /nfs/dbraw/zinc/34/98/33/173349833.db2.gz WPVQGTABXWRCIN-UHFFFAOYSA-N 1 1 212.724 2.039 40 0 BEABMO COc1ccc(C(=O)[C@@H](C)[NH+]2CCCC2)cc1 ZINC000033952504 175065358 /nfs/dbraw/zinc/06/53/58/175065358.db2.gz QJWOQBGBEFNYKB-LLVKDONJSA-N 1 1 233.311 2.362 40 0 in-vitro BEABMO COc1ccccc1Nc1cc(N)[nH+]c(C)n1 ZINC000049467327 175339923 /nfs/dbraw/zinc/33/99/23/175339923.db2.gz JAFVKKPSDFANEK-UHFFFAOYSA-N 1 1 230.271 2.119 40 0 BEABMO C[C@H]1[C@H]([N@@H+](C)C2CC[NH2+]CC2)CCC[C@@H]1C ZINC000032917455 177120098 /nfs/dbraw/zinc/12/00/98/177120098.db2.gz RQQVPELTBHOUKM-OUCADQQQSA-N 1 1 224.392 2.495 40 0 BEABMO C[C@H]1[C@H]([N@H+](C)C2CCNCC2)CCC[C@@H]1C ZINC000032917455 177120099 /nfs/dbraw/zinc/12/00/99/177120099.db2.gz RQQVPELTBHOUKM-OUCADQQQSA-N 1 1 224.392 2.495 40 0 BEABMO C[C@H]1[C@H]([N@@H+](C)C2CCNCC2)CCC[C@@H]1C ZINC000032917455 177120101 /nfs/dbraw/zinc/12/01/01/177120101.db2.gz RQQVPELTBHOUKM-OUCADQQQSA-N 1 1 224.392 2.495 40 0 BEABMO C[C@H]1C[N@@H+](C)CC[C@]12Cc1ccccc1O2 ZINC000309405182 177233534 /nfs/dbraw/zinc/23/35/34/177233534.db2.gz VKECLJQIARTGLQ-FZMZJTMJSA-N 1 1 217.312 2.332 40 0 BEABMO C[C@H](c1ccccc1)[N@@H+]1CCNC[C@@H]1C ZINC000107052092 177284879 /nfs/dbraw/zinc/28/48/79/177284879.db2.gz OPHHITNORRLRPQ-NWDGAFQWSA-N 1 1 204.317 2.041 40 0 BEABMO C[C@H](c1ccccc1)[N@H+]1CCNC[C@@H]1C ZINC000107052092 177284881 /nfs/dbraw/zinc/28/48/81/177284881.db2.gz OPHHITNORRLRPQ-NWDGAFQWSA-N 1 1 204.317 2.041 40 0 BEABMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@]1(O)c1ccccc1 ZINC000003901851 177353003 /nfs/dbraw/zinc/35/30/03/177353003.db2.gz CTKBMLDLEZVLNP-DYEKYZERSA-N 1 1 219.328 2.234 40 0 BEABMO Cc1ccc(C[N@@H+]2CCN[C@H]3CCC[C@H]32)cc1 ZINC000218841260 323086518 /nfs/dbraw/zinc/08/65/18/323086518.db2.gz SEBNHSQPYQEASB-LSDHHAIUSA-N 1 1 230.355 2.321 40 0 BEABMO Cc1ccc(C[N@H+]2CCN[C@H]3CCC[C@H]32)cc1 ZINC000218841260 323086519 /nfs/dbraw/zinc/08/65/19/323086519.db2.gz SEBNHSQPYQEASB-LSDHHAIUSA-N 1 1 230.355 2.321 40 0 BEABMO CCCn1cc(C[NH2+]Cc2ccco2)cn1 ZINC000073739572 521652696 /nfs/dbraw/zinc/65/26/96/521652696.db2.gz WIYMUTIYNFCZRG-UHFFFAOYSA-N 1 1 219.288 2.176 40 0 BEABMO CCCC1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC001560408677 991469487 /nfs/dbraw/zinc/46/94/87/991469487.db2.gz PWOPKNWGFSLLII-UHFFFAOYSA-N 1 1 227.328 2.159 40 0 BEABMO Cc1ccc(-c2n[nH]c([C@@H]([NH3+])C(C)C)n2)cc1 ZINC000095534785 178336010 /nfs/dbraw/zinc/33/60/10/178336010.db2.gz FTJJOVHIWRMMRZ-NSHDSACASA-N 1 1 230.315 2.436 40 0 BEABMO CCOc1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000072211764 259317507 /nfs/dbraw/zinc/31/75/07/259317507.db2.gz VXSBBWMXJVGDCY-NSHDSACASA-N 1 1 206.289 2.247 40 0 BEABMO CCC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]c1 ZINC000072212257 259317522 /nfs/dbraw/zinc/31/75/22/259317522.db2.gz BNOMTBWRTXVTRI-LLVKDONJSA-N 1 1 206.289 2.334 40 0 BEABMO C[N@@H+]1CC=C(c2ccc3n[nH]cc3c2)CC1 ZINC000002526952 342722631 /nfs/dbraw/zinc/72/26/31/342722631.db2.gz XMNMKECUETVISF-UHFFFAOYSA-N 1 1 213.284 2.282 40 0 BEABMO CCCCOc1ccccc1C(=O)C[NH3+] ZINC000072220132 259319478 /nfs/dbraw/zinc/31/94/78/259319478.db2.gz MVEZLGAFFNZHOH-UHFFFAOYSA-N 1 1 207.273 2.007 40 0 BEABMO CCN(CC)c1cc(C)c([C@H](C)O)c[nH+]1 ZINC000072223261 259321593 /nfs/dbraw/zinc/32/15/93/259321593.db2.gz CSMATZUVUOZRCG-JTQLQIEISA-N 1 1 208.305 2.290 40 0 BEABMO Cc1[nH+]c(N2CCCC2)ccc1[C@@H](C)O ZINC000072224517 259321803 /nfs/dbraw/zinc/32/18/03/259321803.db2.gz XVIHAYGZLGXENK-SNVBAGLBSA-N 1 1 206.289 2.044 40 0 BEABMO Cc1c(C(N)=O)oc2c1C(=[NH2+])CC(C)(C)C2 ZINC000016778528 342915360 /nfs/dbraw/zinc/91/53/60/342915360.db2.gz XMLUOTIMUMIVGT-UHFFFAOYSA-N 1 1 220.272 2.027 40 0 BEABMO Fc1ccc([C@]23CCC[N@@H+]2CCCN3)cc1 ZINC000019329208 342945942 /nfs/dbraw/zinc/94/59/42/342945942.db2.gz IBGMNLQEZMKMKB-ZDUSSCGKSA-N 1 1 220.291 2.068 40 0 BEABMO Fc1ccc([C@]23CCC[N@H+]2CCCN3)cc1 ZINC000019329208 342945944 /nfs/dbraw/zinc/94/59/44/342945944.db2.gz IBGMNLQEZMKMKB-ZDUSSCGKSA-N 1 1 220.291 2.068 40 0 BEABMO O=C1CCC[C@]2(c3ccccc3)[NH2+]CCCCN12 ZINC000035572429 343298613 /nfs/dbraw/zinc/29/86/13/343298613.db2.gz OWXBAYLITTYOKA-HNNXBMFYSA-N 1 1 244.338 2.235 40 0 BEABMO [NH3+][C@@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000037658149 343350781 /nfs/dbraw/zinc/35/07/81/343350781.db2.gz IPQYIDQHEKVEDR-JTQLQIEISA-N 1 1 219.675 2.178 40 0 BEABMO CN(C)[C@@H]1[C@H]2CC[C@@](C)([C@@H]1[NH+](C)C)C2(C)C ZINC000039738148 343391932 /nfs/dbraw/zinc/39/19/32/343391932.db2.gz WWHMPEUSLLXFGZ-BYNQJWBRSA-N 1 1 224.392 2.303 40 0 BEABMO CCCC[C@@H](CC)C[N@H+]1CCNC[C@@H]1C ZINC000054374671 343658515 /nfs/dbraw/zinc/65/85/15/343658515.db2.gz CTEYDSHQPCHLCV-QWHCGFSZSA-N 1 1 212.381 2.497 40 0 BEABMO CCCC[C@@H](CC)CN1CC[NH2+]C[C@@H]1C ZINC000054374671 343658519 /nfs/dbraw/zinc/65/85/19/343658519.db2.gz CTEYDSHQPCHLCV-QWHCGFSZSA-N 1 1 212.381 2.497 40 0 BEABMO Cc1ccc(CN2CCC([NH3+])CC2)cc1C ZINC000011729471 344651112 /nfs/dbraw/zinc/65/11/12/344651112.db2.gz BOYAVUGQBCFCSC-UHFFFAOYSA-N 1 1 218.344 2.227 40 0 BEABMO Cc1cnc([C@@H](C)Nc2cc[nH+]c(N(C)C)n2)o1 ZINC000235223576 537885938 /nfs/dbraw/zinc/88/59/38/537885938.db2.gz RUYABTSKKWNTCM-SECBINFHSA-N 1 1 247.302 2.012 40 0 BEABMO Cc1ccc2c(c1)[nH]c1c2C[N@H+](C)CC1 ZINC000000055147 345774943 /nfs/dbraw/zinc/77/49/43/345774943.db2.gz KMOQRWCHESCPKL-UHFFFAOYSA-N 1 1 200.285 2.464 40 0 BEABMO Cc1ccc2c(c1)[nH]c1c2C[N@@H+](C)CC1 ZINC000000055147 345774945 /nfs/dbraw/zinc/77/49/45/345774945.db2.gz KMOQRWCHESCPKL-UHFFFAOYSA-N 1 1 200.285 2.464 40 0 BEABMO Cc1cccc(C[N@@H+]2CC[C@H]3C[C@@H](C)O[C@@H]3C2)n1 ZINC000096046233 179081579 /nfs/dbraw/zinc/08/15/79/179081579.db2.gz GDUVXQZJDDWPBZ-VNHYZAJKSA-N 1 1 246.354 2.389 40 0 BEABMO CC[NH+](CC)CCNCc1ccc(OC)cc1 ZINC000019919134 347317555 /nfs/dbraw/zinc/31/75/55/347317555.db2.gz KYQIKEMNTQNCTB-UHFFFAOYSA-N 1 1 236.359 2.127 40 0 BEABMO Cc1ccccc1CC[N@@H+]1CCCC[C@@H]1CN ZINC000096523604 179263767 /nfs/dbraw/zinc/26/37/67/179263767.db2.gz KTCQBOGFTLESBB-OAHLLOKOSA-N 1 1 232.371 2.351 40 0 BEABMO Cc1ccccc1CC[N@H+]1CCCC[C@@H]1CN ZINC000096523604 179263768 /nfs/dbraw/zinc/26/37/68/179263768.db2.gz KTCQBOGFTLESBB-OAHLLOKOSA-N 1 1 232.371 2.351 40 0 BEABMO c1cc([C@@H]2CCCC[N@H+]2C2CCOCC2)n[nH]1 ZINC000205701063 348577951 /nfs/dbraw/zinc/57/79/51/348577951.db2.gz FKZSPYBZLWPCSO-ZDUSSCGKSA-N 1 1 235.331 2.116 40 0 BEABMO CC(C)C[N@H+]1CCc2cc(N)ccc2C1 ZINC000218747047 350102645 /nfs/dbraw/zinc/10/26/45/350102645.db2.gz PSNMIQNUXFMMRF-UHFFFAOYSA-N 1 1 204.317 2.283 40 0 BEABMO CC[C@](C)(C(=O)OC)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022123486 350084552 /nfs/dbraw/zinc/08/45/52/350084552.db2.gz IMWNBBNBQVEZCR-NTZNESFSSA-N 1 1 227.348 2.306 40 0 BEABMO Cc1nc2c(s1)[C@H](c1ccco1)[NH2+]CC2 ZINC000028428648 180074444 /nfs/dbraw/zinc/07/44/44/180074444.db2.gz WRZWOIMKWHLHBB-JTQLQIEISA-N 1 1 220.297 2.280 40 0 BEABMO Cc1nccc([C@H]2C[N@@H+](C3CCCC3)CCO2)n1 ZINC000257304250 180208653 /nfs/dbraw/zinc/20/86/53/180208653.db2.gz SKSURSFCXCXWQE-CQSZACIVSA-N 1 1 247.342 2.101 40 0 BEABMO Cc1nccc([C@H]2C[N@H+](C3CCCC3)CCO2)n1 ZINC000257304250 180208656 /nfs/dbraw/zinc/20/86/56/180208656.db2.gz SKSURSFCXCXWQE-CQSZACIVSA-N 1 1 247.342 2.101 40 0 BEABMO Nc1cccc2c1CC[N@@H+](CC1CC1)C2 ZINC000038032722 350300172 /nfs/dbraw/zinc/30/01/72/350300172.db2.gz JDLGESAVYVYTLO-UHFFFAOYSA-N 1 1 202.301 2.037 40 0 BEABMO Cc1nn(C)c(F)c1C[NH2+]Cc1ccccc1 ZINC000256051469 180351207 /nfs/dbraw/zinc/35/12/07/180351207.db2.gz JGWZCOQIOASUMC-UHFFFAOYSA-N 1 1 233.290 2.157 40 0 BEABMO Cc1c(Cl)cccc1C[N@H+]1CC[C@@H](O)C1 ZINC000038538748 362959291 /nfs/dbraw/zinc/95/92/91/362959291.db2.gz XHGADBVJTZEVFK-LLVKDONJSA-N 1 1 225.719 2.215 40 0 BEABMO CC(C)(C)c1nnc([C@H]2CCCC[NH2+]2)o1 ZINC000083289376 187778405 /nfs/dbraw/zinc/77/84/05/187778405.db2.gz FRMHPPFYNMGWHC-MRVPVSSYSA-N 1 1 209.293 2.182 40 0 BEABMO CC(C)[N@H+]1CCC[C@@H](c2nccnc2N(C)C)C1 ZINC000072348466 188132088 /nfs/dbraw/zinc/13/20/88/188132088.db2.gz PXJBQIKJYZCPNQ-GFCCVEGCSA-N 1 1 248.374 2.130 40 0 BEABMO CNc1cc(C)c([C@H]2CCCCN2C=O)c[nH+]1 ZINC000072219073 259530453 /nfs/dbraw/zinc/53/04/53/259530453.db2.gz OUXUIXVXHJILEQ-GFCCVEGCSA-N 1 1 233.315 2.115 40 0 BEABMO CN(C)[C@@H](CC[NH3+])c1ccc(Cl)cc1 ZINC000011762456 370751277 /nfs/dbraw/zinc/75/12/77/370751277.db2.gz IDNMRNLCEZWGGG-NSHDSACASA-N 1 1 212.724 2.292 40 0 BEABMO c1cc([C@@H]2CCC[N@@H+]2C2CCCC2)n[nH]1 ZINC000205701302 368359996 /nfs/dbraw/zinc/35/99/96/368359996.db2.gz WFLZJWBFVGUTPQ-LBPRGKRZSA-N 1 1 205.305 2.489 40 0 BEABMO [NH3+][C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000072227331 181570244 /nfs/dbraw/zinc/57/02/44/181570244.db2.gz AAZUWUNMNWDQID-KBPBESRZSA-N 1 1 238.290 2.102 40 0 BEABMO Cc1ccc(CNC[C@H]2CCC[NH2+]C2)cc1 ZINC000041231969 374123437 /nfs/dbraw/zinc/12/34/37/374123437.db2.gz AVLMHCPWRDCAQY-AWEZNQCLSA-N 1 1 218.344 2.084 40 0 BEABMO Cc1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000041231968 374123463 /nfs/dbraw/zinc/12/34/63/374123463.db2.gz AVLMHCPWRDCAQY-CQSZACIVSA-N 1 1 218.344 2.084 40 0 BEABMO OCCC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000052762279 183063958 /nfs/dbraw/zinc/06/39/58/183063958.db2.gz RKQFVFSOECMBDG-CQSZACIVSA-N 1 1 219.328 2.424 40 0 BEABMO OC[NH2+]Cc1c(Cl)cccc1Cl ZINC000238693683 183103375 /nfs/dbraw/zinc/10/33/75/183103375.db2.gz DXIGUYMSZPFIJY-UHFFFAOYSA-N 1 1 206.072 2.033 40 0 BEABMO OCc1cc([C@H]2CCC[N@H+]2C2CCCCC2)[nH]n1 ZINC000072381180 183161725 /nfs/dbraw/zinc/16/17/25/183161725.db2.gz LYMITMWLUAOKLN-CQSZACIVSA-N 1 1 249.358 2.372 40 0 BEABMO OCc1cc([C@@H]2CCC[N@H+]2C2CCCCC2)[nH]n1 ZINC000072381179 183161875 /nfs/dbraw/zinc/16/18/75/183161875.db2.gz LYMITMWLUAOKLN-AWEZNQCLSA-N 1 1 249.358 2.372 40 0 BEABMO O[C@@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000038538776 183198764 /nfs/dbraw/zinc/19/87/64/183198764.db2.gz DIKHZYCRYILMSO-SECBINFHSA-N 1 1 229.682 2.046 40 0 BEABMO O[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000038538776 183198767 /nfs/dbraw/zinc/19/87/67/183198767.db2.gz DIKHZYCRYILMSO-SECBINFHSA-N 1 1 229.682 2.046 40 0 BEABMO O[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000038539733 183194368 /nfs/dbraw/zinc/19/43/68/183194368.db2.gz OYJCUIOUVOOHAD-SNVBAGLBSA-N 1 1 243.709 2.436 40 0 BEABMO O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000038539733 183194370 /nfs/dbraw/zinc/19/43/70/183194370.db2.gz OYJCUIOUVOOHAD-SNVBAGLBSA-N 1 1 243.709 2.436 40 0 BEABMO c1cc(C2CC[NH+](Cc3ccncc3)CC2)[nH]n1 ZINC000072351186 183338998 /nfs/dbraw/zinc/33/89/98/183338998.db2.gz ACFCSKJWRYYDAY-UHFFFAOYSA-N 1 1 242.326 2.184 40 0 BEABMO c1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](CC2CC2)C3)co1 ZINC000096058520 183349052 /nfs/dbraw/zinc/34/90/52/183349052.db2.gz INVIIYHICVNSES-CABCVRRESA-N 1 1 246.354 2.196 40 0 BEABMO c1c[nH]c(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)n1 ZINC000072357395 183360963 /nfs/dbraw/zinc/36/09/63/183360963.db2.gz NHXMHEGDVCVISO-CYBMUJFWSA-N 1 1 242.326 2.184 40 0 BEABMO c1c[nH]c(C[N@H+]2CCC[C@@H](c3ccncc3)C2)n1 ZINC000072357395 183360965 /nfs/dbraw/zinc/36/09/65/183360965.db2.gz NHXMHEGDVCVISO-CYBMUJFWSA-N 1 1 242.326 2.184 40 0 BEABMO c1cc([C@H]2CCCC[N@@H+]2CC2CCOCC2)n[nH]1 ZINC000257290697 183362353 /nfs/dbraw/zinc/36/23/53/183362353.db2.gz QDZIVYFOCCMNDA-CQSZACIVSA-N 1 1 249.358 2.363 40 0 BEABMO C[NH+](C)CC(=O)Nc1cccc2ccccc21 ZINC000003160193 383999607 /nfs/dbraw/zinc/99/96/07/383999607.db2.gz KKZQTOIGLOCJJN-UHFFFAOYSA-N 1 1 228.295 2.340 40 0 BEABMO CCOC(=[NH2+])c1ccccc1N1CCC(O)CC1 ZINC000089212555 383950280 /nfs/dbraw/zinc/95/02/80/383950280.db2.gz FZXPKBXHXWALSA-UHFFFAOYSA-N 1 1 248.326 2.010 40 0 BEABMO Cc1cc(C)c2c(NN)cc(C)[nH+]c2c1 ZINC000002564407 383976234 /nfs/dbraw/zinc/97/62/34/383976234.db2.gz AXNFALYOSQOVKL-UHFFFAOYSA-N 1 1 201.273 2.446 40 0 BEABMO c1cc([C@@H]2CC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC000072381197 384055815 /nfs/dbraw/zinc/05/58/15/384055815.db2.gz GAOZLGRWWNZPDZ-CYBMUJFWSA-N 1 1 227.311 2.399 40 0 BEABMO c1cc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000072381197 384055817 /nfs/dbraw/zinc/05/58/17/384055817.db2.gz GAOZLGRWWNZPDZ-CYBMUJFWSA-N 1 1 227.311 2.399 40 0 BEABMO c1cc([C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000072381197 384055819 /nfs/dbraw/zinc/05/58/19/384055819.db2.gz GAOZLGRWWNZPDZ-CYBMUJFWSA-N 1 1 227.311 2.399 40 0 BEABMO c1cc([C@H]2CC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC000072381196 384056487 /nfs/dbraw/zinc/05/64/87/384056487.db2.gz GAOZLGRWWNZPDZ-ZDUSSCGKSA-N 1 1 227.311 2.399 40 0 BEABMO c1cc([C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000072381196 384056494 /nfs/dbraw/zinc/05/64/94/384056494.db2.gz GAOZLGRWWNZPDZ-ZDUSSCGKSA-N 1 1 227.311 2.399 40 0 BEABMO c1cc([C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000072381196 384056501 /nfs/dbraw/zinc/05/65/01/384056501.db2.gz GAOZLGRWWNZPDZ-ZDUSSCGKSA-N 1 1 227.311 2.399 40 0 BEABMO C1COC(N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)=[NH+]1 ZINC000005046319 384097422 /nfs/dbraw/zinc/09/74/22/384097422.db2.gz GEUSRXMGTZSERI-TUAOUCFPSA-N 1 1 222.332 2.321 40 0 BEABMO Cn1c2ccc(Cl)cc2c2nc[nH+]c(NN)c21 ZINC000408712437 384179461 /nfs/dbraw/zinc/17/94/61/384179461.db2.gz DDUPYQSUAFHMOE-UHFFFAOYSA-N 1 1 247.689 2.061 40 0 BEABMO CC(C)[N@H+]1CCC[C@H](c2nccnc2N(C)C)C1 ZINC000072348465 384210897 /nfs/dbraw/zinc/21/08/97/384210897.db2.gz PXJBQIKJYZCPNQ-LBPRGKRZSA-N 1 1 248.374 2.130 40 0 BEABMO c1cnc([C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000072361339 384213295 /nfs/dbraw/zinc/21/32/95/384213295.db2.gz VUCZYUKZZRXBNP-LBPRGKRZSA-N 1 1 217.316 2.066 40 0 BEABMO CC(C)(C)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000072361187 384214292 /nfs/dbraw/zinc/21/42/92/384214292.db2.gz GHDVTILPRXTRDS-NSHDSACASA-N 1 1 248.374 2.284 40 0 BEABMO Cc1ccnc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072381930 384216662 /nfs/dbraw/zinc/21/66/62/384216662.db2.gz IUQYYZANMKKGEE-ZDUSSCGKSA-N 1 1 247.342 2.101 40 0 BEABMO c1ccc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)nc1 ZINC000072381928 384216917 /nfs/dbraw/zinc/21/69/17/384216917.db2.gz AYRWFNVHGWTQKB-CYBMUJFWSA-N 1 1 246.354 2.440 40 0 BEABMO C[C@](CN)(c1cccs1)[NH+]1CCCCC1 ZINC000070453218 384563182 /nfs/dbraw/zinc/56/31/82/384563182.db2.gz LTHWKBJZIGQDIN-LBPRGKRZSA-N 1 1 224.373 2.408 40 0 BEABMO c1ccc([C@H]2C[C@@H]2C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000071477098 384913239 /nfs/dbraw/zinc/91/32/39/384913239.db2.gz KJWVAYDVQDFQKH-HUUCEWRRSA-N 1 1 230.355 2.085 40 0 BEABMO c1ccc([C@H]2C[C@@H]2CN2CCC[NH2+]CC2)cc1 ZINC000071477098 384913249 /nfs/dbraw/zinc/91/32/49/384913249.db2.gz KJWVAYDVQDFQKH-HUUCEWRRSA-N 1 1 230.355 2.085 40 0 BEABMO C[C@H]1[C@H](C)[C@@](O)(c2ccccc2)CC[N@H+]1C ZINC000001001646 384989375 /nfs/dbraw/zinc/98/93/75/384989375.db2.gz BPCAXUWVIOXYQR-SGMGOOAPSA-N 1 1 219.328 2.234 40 0 BEABMO CC[N@H+]1CCC[C@H]1c1ccc(OC)nc1 ZINC000072211657 385070601 /nfs/dbraw/zinc/07/06/01/385070601.db2.gz RJRYROVQFOXEHQ-NSHDSACASA-N 1 1 206.289 2.247 40 0 BEABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@H]1c1cccs1 ZINC000072227341 385121616 /nfs/dbraw/zinc/12/16/16/385121616.db2.gz DUYFRGRMBHXSQO-NEPJUHHUSA-N 1 1 244.319 2.163 40 0 BEABMO CC(=O)N1CCCC[C@@H]1c1ccc(N)[nH+]c1C ZINC000072218595 385099878 /nfs/dbraw/zinc/09/98/78/385099878.db2.gz WHWWMCMLLSEWMA-GFCCVEGCSA-N 1 1 233.315 2.046 40 0 BEABMO CC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]c1C ZINC000072218191 385101000 /nfs/dbraw/zinc/10/10/00/385101000.db2.gz NKDMKHUZKDTOHC-LLVKDONJSA-N 1 1 206.289 2.252 40 0 BEABMO CNc1ccc([C@H]2CCCN2C(C)=O)c(C)[nH+]1 ZINC000072219094 385104244 /nfs/dbraw/zinc/10/42/44/385104244.db2.gz ZYKKKGBUMIXPTK-GFCCVEGCSA-N 1 1 233.315 2.115 40 0 BEABMO CNc1cc(C)c([C@@H]2CCC[N@H+]2C)cn1 ZINC000072219025 385104987 /nfs/dbraw/zinc/10/49/87/385104987.db2.gz KRQZAJVVAQLFEE-NSHDSACASA-N 1 1 205.305 2.198 40 0 BEABMO CCCC[N@H+]1CCCC[C@@H]1C(=O)OCC ZINC000033609411 385254475 /nfs/dbraw/zinc/25/44/75/385254475.db2.gz OAAXEKNPTNLHID-LLVKDONJSA-N 1 1 213.321 2.204 40 0 BEABMO NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC000096523616 385266424 /nfs/dbraw/zinc/26/64/24/385266424.db2.gz BWROVJAJIZRKEO-CYBMUJFWSA-N 1 1 210.365 2.380 40 0 BEABMO [NH3+]C[C@H]1CCCCN1CCC1CCCC1 ZINC000096523616 385266433 /nfs/dbraw/zinc/26/64/33/385266433.db2.gz BWROVJAJIZRKEO-CYBMUJFWSA-N 1 1 210.365 2.380 40 0 BEABMO C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810193 385571496 /nfs/dbraw/zinc/57/14/96/385571496.db2.gz RSFGURGCIUVVEK-QLFBSQMISA-N 1 1 236.403 2.498 40 0 BEABMO C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810193 385571499 /nfs/dbraw/zinc/57/14/99/385571499.db2.gz RSFGURGCIUVVEK-QLFBSQMISA-N 1 1 236.403 2.498 40 0 BEABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C(C)C ZINC000201635925 385585718 /nfs/dbraw/zinc/58/57/18/385585718.db2.gz QSTANHPGFFZQMJ-ZDUSSCGKSA-N 1 1 240.391 2.413 40 0 BEABMO CCN(CC)[C@H](C[NH3+])c1ccccc1C ZINC000038827558 386141514 /nfs/dbraw/zinc/14/15/14/386141514.db2.gz OWQIRLVOUXXGRO-CYBMUJFWSA-N 1 1 206.333 2.337 40 0 BEABMO c1csc(CC[N@@H+]2CCN[C@@H]3CCC[C@H]32)c1 ZINC000218843002 386244444 /nfs/dbraw/zinc/24/44/44/386244444.db2.gz QAUPJZQIGTZSKP-CHWSQXEVSA-N 1 1 236.384 2.117 40 0 BEABMO c1csc(CC[N@H+]2CCN[C@@H]3CCC[C@H]32)c1 ZINC000218843002 386244449 /nfs/dbraw/zinc/24/44/49/386244449.db2.gz QAUPJZQIGTZSKP-CHWSQXEVSA-N 1 1 236.384 2.117 40 0 BEABMO Nc1cncc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000217731022 388380052 /nfs/dbraw/zinc/38/00/52/388380052.db2.gz GYEPHDFKCSSNRH-UHFFFAOYSA-N 1 1 239.322 2.222 40 0 BEABMO Cc1ccc(C[N@@H+]2CCOC(C)(C)[C@H]2C)cn1 ZINC000334406501 135393930 /nfs/dbraw/zinc/39/39/30/135393930.db2.gz HXWOQNJKTWWROS-GFCCVEGCSA-N 1 1 234.343 2.389 40 0 BEABMO Cc1ccc(C[N@H+]2CCOC(C)(C)[C@H]2C)cn1 ZINC000334406501 135393932 /nfs/dbraw/zinc/39/39/32/135393932.db2.gz HXWOQNJKTWWROS-GFCCVEGCSA-N 1 1 234.343 2.389 40 0 BEABMO CN(C)[C@H]1[C@H]([NH+](C)C)[C@]2(C)CC[C@H]1C2(C)C ZINC000245241064 411384437 /nfs/dbraw/zinc/38/44/37/411384437.db2.gz WWHMPEUSLLXFGZ-NMKXLXIOSA-N 1 1 224.392 2.303 40 0 BEABMO CC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000001593405 170023755 /nfs/dbraw/zinc/02/37/55/170023755.db2.gz KGMSKRGSHTVCKH-UHFFFAOYSA-N 1 1 221.300 2.082 40 0 BEABMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000096361364 170259377 /nfs/dbraw/zinc/25/93/77/170259377.db2.gz GDZPWQCQDBQIJJ-TZMCWYRMSA-N 1 1 247.338 2.318 40 0 BEABMO CC[C@H](C)[C@@H]([NH2+]C)C(=O)OCc1ccccc1 ZINC000098044086 171373226 /nfs/dbraw/zinc/37/32/26/171373226.db2.gz ATJJWXDHFSKJKM-WCQYABFASA-N 1 1 235.327 2.364 40 0 BEABMO C[N@H+]1CCCC[C@H]1[C@@](C)(O)c1ccccc1 ZINC000001667117 173009325 /nfs/dbraw/zinc/00/93/25/173009325.db2.gz LXDBGLKINLPWMY-KBPBESRZSA-N 1 1 219.328 2.378 40 0 BEABMO C[N@H+]1CCCC[C@H]1c1ccc(-n2ccnc2)nc1 ZINC000072386560 173010089 /nfs/dbraw/zinc/01/00/89/173010089.db2.gz RGXXBCYZOKBQQT-ZDUSSCGKSA-N 1 1 242.326 2.424 40 0 BEABMO C[N@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169317 173157640 /nfs/dbraw/zinc/15/76/40/173157640.db2.gz IOJODJGZUCNESL-NSHDSACASA-N 1 1 229.283 2.156 40 0 biogenic,in-vitro BEABMO CNC(=O)c1cc(N)ccc1[NH+]1CCCCCC1 ZINC000225486069 173309480 /nfs/dbraw/zinc/30/94/80/173309480.db2.gz PJSITEJSQGNFJU-UHFFFAOYSA-N 1 1 247.342 2.009 40 0 BEABMO COc1ccc(C)cc1Nc1cc(C)[nH+]c(N)n1 ZINC000049468268 175079187 /nfs/dbraw/zinc/07/91/87/175079187.db2.gz INVGKMHKYGJNRZ-UHFFFAOYSA-N 1 1 244.298 2.428 40 0 BEABMO COc1ccc(CC[NH2+]CC(F)F)cc1OC ZINC000037755692 175091723 /nfs/dbraw/zinc/09/17/23/175091723.db2.gz WOHOVTFZAQSMIX-UHFFFAOYSA-N 1 1 245.269 2.101 40 0 BEABMO C[C@@H]1CCC[N@H+]1C[C@H](CO)c1ccccc1 ZINC000309336839 176109085 /nfs/dbraw/zinc/10/90/85/176109085.db2.gz AYVQIOHOTIJXIA-TZMCWYRMSA-N 1 1 219.328 2.247 40 0 BEABMO C[C@H](c1ccccc1)[N@@H+]1CCNC[C@H]1C ZINC000107052088 176328262 /nfs/dbraw/zinc/32/82/62/176328262.db2.gz OPHHITNORRLRPQ-VXGBXAGGSA-N 1 1 204.317 2.041 40 0 BEABMO C[C@H](c1ccccc1)[N@H+]1CCNC[C@H]1C ZINC000107052088 176328264 /nfs/dbraw/zinc/32/82/64/176328264.db2.gz OPHHITNORRLRPQ-VXGBXAGGSA-N 1 1 204.317 2.041 40 0 BEABMO C[C@@H]1[C@@H](C)CCC[C@@H]1[N@@H+](C)C1CC[NH2+]CC1 ZINC000032917459 177134658 /nfs/dbraw/zinc/13/46/58/177134658.db2.gz RQQVPELTBHOUKM-SCRDCRAPSA-N 1 1 224.392 2.495 40 0 BEABMO C[C@@H]1[C@@H](C)CCC[C@@H]1[N@H+](C)C1CCNCC1 ZINC000032917459 177134659 /nfs/dbraw/zinc/13/46/59/177134659.db2.gz RQQVPELTBHOUKM-SCRDCRAPSA-N 1 1 224.392 2.495 40 0 BEABMO C[C@@H]1[C@@H](C)CCC[C@@H]1[N@@H+](C)C1CCNCC1 ZINC000032917459 177134661 /nfs/dbraw/zinc/13/46/61/177134661.db2.gz RQQVPELTBHOUKM-SCRDCRAPSA-N 1 1 224.392 2.495 40 0 BEABMO C[C@H]1C[N@H+](CC/C=C/c2ccccc2)CCN1 ZINC000079439952 177245598 /nfs/dbraw/zinc/24/55/98/177245598.db2.gz MPPZBOYQAFNTCD-KVEVGEHQSA-N 1 1 230.355 2.384 40 0 BEABMO C[C@H]1C[N@@H+](CC/C=C/c2ccccc2)CCN1 ZINC000079439952 177245600 /nfs/dbraw/zinc/24/56/00/177245600.db2.gz MPPZBOYQAFNTCD-KVEVGEHQSA-N 1 1 230.355 2.384 40 0 BEABMO CNc1nc(N2CCc3ccccc3C2)cc[nH+]1 ZINC000084538451 522704664 /nfs/dbraw/zinc/70/46/64/522704664.db2.gz IHHCGYPPSYVKQF-UHFFFAOYSA-N 1 1 240.310 2.081 40 0 BEABMO CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(F)cc1 ZINC000034959734 1170602530 /nfs/dbraw/zinc/60/25/30/1170602530.db2.gz VLUZNVMKIYJNRF-NSHDSACASA-N 1 1 239.290 2.037 40 0 BEABMO CC[NH+](CC)CC(=O)c1ccc(OC)c(F)c1 ZINC000026505652 1170862088 /nfs/dbraw/zinc/86/20/88/1170862088.db2.gz TXPTUFKCOPKPON-UHFFFAOYSA-N 1 1 239.290 2.359 40 0 BEABMO Cc1cc(=O)[nH]c([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072348456 178203927 /nfs/dbraw/zinc/20/39/27/178203927.db2.gz FCNWSZJQZWTJKE-LLVKDONJSA-N 1 1 235.331 2.078 40 0 BEABMO Cc1ccc(-c2noc([C@H](C)[NH3+])n2)c(C)c1 ZINC000082975975 178343124 /nfs/dbraw/zinc/34/31/24/178343124.db2.gz DWVFXFMTFPYTOM-VIFPVBQESA-N 1 1 217.272 2.373 40 0 BEABMO CC(C)C(=O)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000000035427 342670617 /nfs/dbraw/zinc/67/06/17/342670617.db2.gz OKDZSBOUVNBQMR-CHWSQXEVSA-N 1 1 239.359 2.450 40 0 biogenic,in-vitro BEABMO CCOc1ccc([C@H]2CCC[N@H+]2C)cn1 ZINC000072211765 259317584 /nfs/dbraw/zinc/31/75/84/259317584.db2.gz VXSBBWMXJVGDCY-LLVKDONJSA-N 1 1 206.289 2.247 40 0 BEABMO Nc1ccc(-c2c[nH+]c3n2CCCC3)cc1 ZINC000072220360 259319511 /nfs/dbraw/zinc/31/95/11/259319511.db2.gz HELYYYXDKRQLLE-UHFFFAOYSA-N 1 1 213.284 2.469 40 0 BEABMO Cc1cc(N)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223084 259320763 /nfs/dbraw/zinc/32/07/63/259320763.db2.gz IGJCRGYQFNMHCU-ZDUSSCGKSA-N 1 1 214.268 2.054 40 0 BEABMO CCCC[C@@H](CC)C[N@H+]1CCCNCC1 ZINC000043454333 343472955 /nfs/dbraw/zinc/47/29/55/343472955.db2.gz AJNBJXDYOHWIEI-CYBMUJFWSA-N 1 1 212.381 2.498 40 0 BEABMO CCCC[C@@H](CC)CN1CCC[NH2+]CC1 ZINC000043454333 343472956 /nfs/dbraw/zinc/47/29/56/343472956.db2.gz AJNBJXDYOHWIEI-CYBMUJFWSA-N 1 1 212.381 2.498 40 0 BEABMO Cc1nc(N)cc(Nc2ccc(F)cc2)[nH+]1 ZINC000049467266 343598995 /nfs/dbraw/zinc/59/89/95/343598995.db2.gz IUNIEDDFKVRTLW-UHFFFAOYSA-N 1 1 218.235 2.250 40 0 BEABMO Cc1nc(Nc2ccc(F)cc2)cc(N)[nH+]1 ZINC000049467266 343598997 /nfs/dbraw/zinc/59/89/97/343598997.db2.gz IUNIEDDFKVRTLW-UHFFFAOYSA-N 1 1 218.235 2.250 40 0 BEABMO Cc1ccc2nc(N3CCCC3)[nH]c2c1 ZINC000000226437 345421359 /nfs/dbraw/zinc/42/13/59/345421359.db2.gz YDXGSLFQTXMECW-UHFFFAOYSA-N 1 1 201.273 2.472 40 0 BEABMO CCNc1ccc([C@H]2CCC[N@H+]2C)cn1 ZINC000039039606 323090935 /nfs/dbraw/zinc/09/09/35/323090935.db2.gz AIVCGSKEACPYBS-LLVKDONJSA-N 1 1 205.305 2.280 40 0 BEABMO Cc1cccc(CC[N@@H+]2CCCC[C@H]2CN)c1 ZINC000096523607 179056977 /nfs/dbraw/zinc/05/69/77/179056977.db2.gz PIGKZGZRKXKUST-HNNXBMFYSA-N 1 1 232.371 2.351 40 0 BEABMO Cc1cccc(CC[N@H+]2CCCC[C@H]2CN)c1 ZINC000096523607 179056979 /nfs/dbraw/zinc/05/69/79/179056979.db2.gz PIGKZGZRKXKUST-HNNXBMFYSA-N 1 1 232.371 2.351 40 0 BEABMO Cc1cccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000072397540 179084257 /nfs/dbraw/zinc/08/42/57/179084257.db2.gz SAMMNJWOFUJVTN-HIFRSBDPSA-N 1 1 245.370 2.059 40 0 BEABMO CC(C)(C)OC(=O)[C@@]1([NH3+])C[C@@H]1c1ccccc1 ZINC000253179816 348246097 /nfs/dbraw/zinc/24/60/97/348246097.db2.gz BWHFMXFCBHHMIA-BXUZGUMPSA-N 1 1 233.311 2.213 40 0 BEABMO Cc1nn(C)cc1CNc1[nH+]cccc1C ZINC000072226658 179394568 /nfs/dbraw/zinc/39/45/68/179394568.db2.gz QJAZXTIVRZYKCD-UHFFFAOYSA-N 1 1 216.288 2.044 40 0 BEABMO c1cc([C@H]2CC[N@H+](Cc3ccsc3)C2)n[nH]1 ZINC000205688206 348575451 /nfs/dbraw/zinc/57/54/51/348575451.db2.gz MPLYQCLZURYFKK-NSHDSACASA-N 1 1 233.340 2.461 40 0 BEABMO Cc1ncccc1O[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC000257300578 180227801 /nfs/dbraw/zinc/22/78/01/180227801.db2.gz RUWAJSXSGADPHK-MBNYWOFBSA-N 1 1 232.327 2.109 40 0 BEABMO Cc1ncnc2c1CC[N@@H+](CC1CCCC1)CC2 ZINC000096254990 180290640 /nfs/dbraw/zinc/29/06/40/180290640.db2.gz ZQCNITKLPHJJQO-UHFFFAOYSA-N 1 1 245.370 2.376 40 0 BEABMO C1CCN2C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@H]2C1 ZINC000000000721 188098506 /nfs/dbraw/zinc/09/85/06/188098506.db2.gz SLRCCWJSBJZJBV-BYNSBNAKSA-N 1 1 234.387 2.345 40 0 in-vitro BEABMO C1CCN2C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@H]2C1 ZINC000000000721 188098507 /nfs/dbraw/zinc/09/85/07/188098507.db2.gz SLRCCWJSBJZJBV-BYNSBNAKSA-N 1 1 234.387 2.345 40 0 in-vitro BEABMO Cc1ccccc1[C@@H](C[NH3+])N1CCCCC1 ZINC000038827601 188117614 /nfs/dbraw/zinc/11/76/14/188117614.db2.gz VLNKNMJEGZNBOP-CQSZACIVSA-N 1 1 218.344 2.481 40 0 BEABMO CO[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000096511315 188502043 /nfs/dbraw/zinc/50/20/43/188502043.db2.gz WEIZCDNJWXGFBP-CYBMUJFWSA-N 1 1 205.301 2.297 40 0 BEABMO CNc1cc(C)c([C@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072219034 259530083 /nfs/dbraw/zinc/53/00/83/259530083.db2.gz MHVSSHZAWYIUNK-GFCCVEGCSA-N 1 1 233.315 2.115 40 0 BEABMO CC1(C)C[C@H]([NH3+])c2cc3nc[nH]c3cc21 ZINC000057347033 369392441 /nfs/dbraw/zinc/39/24/41/369392441.db2.gz IWWKLSDLLRWYGC-VIFPVBQESA-N 1 1 201.273 2.244 40 0 BEABMO CCc1nnc([C@@H]([NH3+])c2ccc(Cl)cc2)[nH]1 ZINC000095534015 371301686 /nfs/dbraw/zinc/30/16/86/371301686.db2.gz NWGIHQYBKRXELW-JTQLQIEISA-N 1 1 236.706 2.069 40 0 BEABMO [NH3+]CC(F)(F)Sc1ccccc1F ZINC000131749011 371665698 /nfs/dbraw/zinc/66/56/98/371665698.db2.gz MCUJBMHHVJJYEP-UHFFFAOYSA-N 1 1 207.220 2.469 40 0 BEABMO OCC[N@@H+]([C@H]1C=CCC1)C1CCCCC1 ZINC000001683351 183063852 /nfs/dbraw/zinc/06/38/52/183063852.db2.gz BPDQIAHMBNSGOD-ZDUSSCGKSA-N 1 1 209.333 2.332 40 0 BEABMO O[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000096311758 183198210 /nfs/dbraw/zinc/19/82/10/183198210.db2.gz RLWPQZYLNLZHTF-SECBINFHSA-N 1 1 229.682 2.046 40 0 BEABMO O[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000096311758 183198213 /nfs/dbraw/zinc/19/82/13/183198213.db2.gz RLWPQZYLNLZHTF-SECBINFHSA-N 1 1 229.682 2.046 40 0 BEABMO c1cc(C[C@@H]2CCC[N@H+](CC3CCC3)C2)n[nH]1 ZINC000257328642 183355058 /nfs/dbraw/zinc/35/50/58/183355058.db2.gz XGNYMGYWZBLCEN-ZDUSSCGKSA-N 1 1 233.359 2.464 40 0 BEABMO c1cc(C[C@@H]2CCC[N@@H+](CC3CCC3)C2)[nH]n1 ZINC000257328642 183355059 /nfs/dbraw/zinc/35/50/59/183355059.db2.gz XGNYMGYWZBLCEN-ZDUSSCGKSA-N 1 1 233.359 2.464 40 0 BEABMO c1cc(C[C@@H]2CCC[N@H+](CC3CCC3)C2)[nH]n1 ZINC000257328642 183355063 /nfs/dbraw/zinc/35/50/63/183355063.db2.gz XGNYMGYWZBLCEN-ZDUSSCGKSA-N 1 1 233.359 2.464 40 0 BEABMO c1ccc(CN(C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000079437990 183396921 /nfs/dbraw/zinc/39/69/21/183396921.db2.gz LXGNUKBPISEFSE-AWEZNQCLSA-N 1 1 230.355 2.261 40 0 BEABMO CCCOc1ccc(-c2c[nH+]c(N)nc2N)cc1 ZINC000004993214 169316257 /nfs/dbraw/zinc/31/62/57/169316257.db2.gz MNFDWCIHNNIAOH-UHFFFAOYSA-N 1 1 244.298 2.097 40 0 BEABMO c1c[nH+]c2c(c1)NCCCN2CC1CC1 ZINC000096510698 183485797 /nfs/dbraw/zinc/48/57/97/183485797.db2.gz NONAXTARPVKNAI-UHFFFAOYSA-N 1 1 203.289 2.114 40 0 BEABMO CC(=O)c1ccc(Nc2cc(C)[nH+]c(N)n2)cc1 ZINC000001607981 383912548 /nfs/dbraw/zinc/91/25/48/383912548.db2.gz CGPBTCUMEHNONE-UHFFFAOYSA-N 1 1 242.282 2.313 40 0 BEABMO CCC[C@@H]([C@H](CC)CN(C)C)[NH+](C)C ZINC000001662276 383917024 /nfs/dbraw/zinc/91/70/24/383917024.db2.gz SJLKSOZBYOLBNB-NEPJUHHUSA-N 1 1 200.370 2.305 40 0 BEABMO Nc1[nH]c2c([nH+]1)c(Cl)ccc2Cl ZINC000073638091 384028037 /nfs/dbraw/zinc/02/80/37/384028037.db2.gz VISIHKHLHHXUEE-UHFFFAOYSA-N 1 1 202.044 2.452 40 0 BEABMO O=Cc1ccc(C[NH+]2CCSCC2)cc1 ZINC000082188757 384070269 /nfs/dbraw/zinc/07/02/69/384070269.db2.gz MZABBVLYJFXWBE-UHFFFAOYSA-N 1 1 221.325 2.048 40 0 BEABMO Cc1noc([C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000072356832 384209848 /nfs/dbraw/zinc/20/98/48/384209848.db2.gz WBSNTULMMPGVAN-SNVBAGLBSA-N 1 1 221.304 2.110 40 0 BEABMO c1cncc(-c2nc([C@@H]3CCCCC[NH2+]3)no2)c1 ZINC000135984810 384478976 /nfs/dbraw/zinc/47/89/76/384478976.db2.gz AABWTTWNMACGSY-NSHDSACASA-N 1 1 244.298 2.336 40 0 BEABMO Cc1ccc(SCN2CC[NH+](C)CC2)cc1 ZINC000019368960 384517832 /nfs/dbraw/zinc/51/78/32/384517832.db2.gz QMRXUQVQVHIDGP-UHFFFAOYSA-N 1 1 236.384 2.292 40 0 BEABMO CC(C)c1ccc([C@H](CO)[NH+]2CCOCC2)cc1 ZINC000070453262 384562570 /nfs/dbraw/zinc/56/25/70/384562570.db2.gz IPBAMLMDIQDMAL-HNNXBMFYSA-N 1 1 249.354 2.176 40 0 BEABMO CC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000084369185 384682768 /nfs/dbraw/zinc/68/27/68/384682768.db2.gz KYCYYTIPNGMWBT-ZDUSSCGKSA-N 1 1 205.301 2.033 40 0 BEABMO C[C@@H]([NH3+])c1nc(-c2c(F)cccc2F)no1 ZINC000083322429 384758731 /nfs/dbraw/zinc/75/87/31/384758731.db2.gz HHOIZGZMGOSHQV-RXMQYKEDSA-N 1 1 225.198 2.035 40 0 BEABMO C[C@H]([NH3+])c1nc(-c2c(F)cccc2F)no1 ZINC000083322428 384758982 /nfs/dbraw/zinc/75/89/82/384758982.db2.gz HHOIZGZMGOSHQV-YFKPBYRVSA-N 1 1 225.198 2.035 40 0 BEABMO [NH3+]Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000062152752 384767041 /nfs/dbraw/zinc/76/70/41/384767041.db2.gz GBCHBEUIOXYVEW-UHFFFAOYSA-N 1 1 215.178 2.040 40 0 BEABMO CN1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC000104094821 384928634 /nfs/dbraw/zinc/92/86/34/384928634.db2.gz OUOCECDKBRCIDM-OAHLLOKOSA-N 1 1 232.371 2.460 40 0 BEABMO CN1CCC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000104094821 384928638 /nfs/dbraw/zinc/92/86/38/384928638.db2.gz OUOCECDKBRCIDM-OAHLLOKOSA-N 1 1 232.371 2.460 40 0 BEABMO CN(Cc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000104094821 384928644 /nfs/dbraw/zinc/92/86/44/384928644.db2.gz OUOCECDKBRCIDM-OAHLLOKOSA-N 1 1 232.371 2.460 40 0 BEABMO CN(Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104094821 384928651 /nfs/dbraw/zinc/92/86/51/384928651.db2.gz OUOCECDKBRCIDM-OAHLLOKOSA-N 1 1 232.371 2.460 40 0 BEABMO CC[C@H](C)c1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000057340792 384938282 /nfs/dbraw/zinc/93/82/82/384938282.db2.gz VRWPVXKKPDTGPK-IUCAKERBSA-N 1 1 209.293 2.398 40 0 BEABMO CSCC[C@H]([NH3+])c1nnc(C(C)(C)C)o1 ZINC000072210629 385068542 /nfs/dbraw/zinc/06/85/42/385068542.db2.gz CNRSXIIBOPQBLN-ZETCQYMHSA-N 1 1 229.349 2.120 40 0 BEABMO COc1ncccc1[C@@H]1CCCC[N@H+]1C ZINC000072211734 385070585 /nfs/dbraw/zinc/07/05/85/385070585.db2.gz XVTVWKGBYRLWLE-NSHDSACASA-N 1 1 206.289 2.247 40 0 BEABMO CC[N@H+]1CCC[C@H]1c1cccnc1OC ZINC000072211713 385070909 /nfs/dbraw/zinc/07/09/09/385070909.db2.gz CSSGRURCIRLJAR-NSHDSACASA-N 1 1 206.289 2.247 40 0 BEABMO COc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072211678 385072294 /nfs/dbraw/zinc/07/22/94/385072294.db2.gz FWFQSNCGOZDMOU-NSHDSACASA-N 1 1 206.289 2.247 40 0 BEABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N ZINC000072212421 385075736 /nfs/dbraw/zinc/07/57/36/385075736.db2.gz HHMXSNMTRRKTPH-GFCCVEGCSA-N 1 1 219.332 2.457 40 0 BEABMO CN(C)c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072212610 385079871 /nfs/dbraw/zinc/07/98/71/385079871.db2.gz BXPINGFIPDUQQY-GFCCVEGCSA-N 1 1 219.332 2.304 40 0 BEABMO CC(C)Cc1nnc([C@H]([NH3+])c2ccccc2)[nH]1 ZINC000095533472 385033609 /nfs/dbraw/zinc/03/36/09/385033609.db2.gz ANOIEMPWNNMUSG-GFCCVEGCSA-N 1 1 230.315 2.051 40 0 BEABMO Cc1[nH+]c(N)ccc1[C@@H](O)c1ccccc1 ZINC000072224127 385114990 /nfs/dbraw/zinc/11/49/90/385114990.db2.gz RKFPKEXCZMYGCW-ZDUSSCGKSA-N 1 1 214.268 2.054 40 0 BEABMO Cc1cc([C@H]2CCC[N@H+]2C)cnc1N(C)C ZINC000072218606 385100912 /nfs/dbraw/zinc/10/09/12/385100912.db2.gz UNPPCLUUMQTOMA-GFCCVEGCSA-N 1 1 219.332 2.223 40 0 BEABMO CC[N@H+]1CCC[C@H]1c1c[nH]c(=O)cc1C ZINC000072218132 385102133 /nfs/dbraw/zinc/10/21/33/385102133.db2.gz MOJFHVHYVXQKNE-NSHDSACASA-N 1 1 206.289 2.252 40 0 BEABMO CNc1ccc([C@@H]2CCC[N@H+]2C)c(C)n1 ZINC000072219085 385104056 /nfs/dbraw/zinc/10/40/56/385104056.db2.gz FNBBUAFVDRBJTA-NSHDSACASA-N 1 1 205.305 2.198 40 0 BEABMO CC(C)c1nccn1[C@@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000096510525 385249905 /nfs/dbraw/zinc/24/99/05/385249905.db2.gz DZALLZYRMODTAK-CHWSQXEVSA-N 1 1 249.358 2.042 40 0 BEABMO Cc1ccc(CC[N@@H+]2CCCC[C@H]2CN)cc1 ZINC000096523603 385269368 /nfs/dbraw/zinc/26/93/68/385269368.db2.gz IYMYONPQPCUSEO-HNNXBMFYSA-N 1 1 232.371 2.351 40 0 BEABMO Cc1ccc(CC[N@H+]2CCCC[C@H]2CN)cc1 ZINC000096523603 385269371 /nfs/dbraw/zinc/26/93/71/385269371.db2.gz IYMYONPQPCUSEO-HNNXBMFYSA-N 1 1 232.371 2.351 40 0 BEABMO N[C@@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC000096523508 385269407 /nfs/dbraw/zinc/26/94/07/385269407.db2.gz QDCDHPAYFIOVID-CQSZACIVSA-N 1 1 218.344 2.042 40 0 BEABMO N[C@@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC000096523508 385269414 /nfs/dbraw/zinc/26/94/14/385269414.db2.gz QDCDHPAYFIOVID-CQSZACIVSA-N 1 1 218.344 2.042 40 0 BEABMO N[C@H]1CC[N@H+](CCCC2CCCCC2)C1 ZINC000096523513 385269514 /nfs/dbraw/zinc/26/95/14/385269514.db2.gz KDDMXPVXTDQVRK-ZDUSSCGKSA-N 1 1 210.365 2.380 40 0 BEABMO N[C@H]1CC[N@@H+](CCCC2CCCCC2)C1 ZINC000096523513 385269520 /nfs/dbraw/zinc/26/95/20/385269520.db2.gz KDDMXPVXTDQVRK-ZDUSSCGKSA-N 1 1 210.365 2.380 40 0 BEABMO COC(=O)/C(=C/c1ccccc1)C(C)=[NH2+] ZINC000016382804 385420408 /nfs/dbraw/zinc/42/04/08/385420408.db2.gz ZNICRJNTAGOCDD-JDYWATNUSA-N 1 1 203.241 2.283 40 0 BEABMO Cc1ccnc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257288414 385762060 /nfs/dbraw/zinc/76/20/60/385762060.db2.gz PUBYBIWMKZJSQV-GFCCVEGCSA-N 1 1 219.332 2.373 40 0 BEABMO C[C@H]1c2ccc(O)cc2[C@]2(C)CC[N@H+](C)[C@H]12 ZINC000032119720 385970296 /nfs/dbraw/zinc/97/02/96/385970296.db2.gz YPKISZQTKHQMFL-FZZIBODNSA-N 1 1 217.312 2.471 40 0 BEABMO Nc1ccc([NH2+]C2CCCC2)c(-n2cnnc2)c1 ZINC000216751092 386800663 /nfs/dbraw/zinc/80/06/63/386800663.db2.gz UENPMCPHWQSRGE-UHFFFAOYSA-N 1 1 243.314 2.204 40 0 BEABMO C[C@@H]([NH3+])c1nc([C@H]2CCCSCC2)no1 ZINC000575415022 387023728 /nfs/dbraw/zinc/02/37/28/387023728.db2.gz JKBMUVKUIXMOCV-SFYZADRCSA-N 1 1 227.333 2.090 40 0 BEABMO Cc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)o1 ZINC000072324417 387647927 /nfs/dbraw/zinc/64/79/27/387647927.db2.gz UYQGLBTWCVURPF-WCQYABFASA-N 1 1 234.343 2.257 40 0 BEABMO COc1cc(C)cc2c(N)cc(C)[nH+]c12 ZINC000064874674 388671419 /nfs/dbraw/zinc/67/14/19/388671419.db2.gz HNPWLACDSOHXJJ-UHFFFAOYSA-N 1 1 202.257 2.442 40 0 BEABMO CC(C)Nc1ncc(C[NH2+]Cc2ccco2)cn1 ZINC000062717632 388655952 /nfs/dbraw/zinc/65/59/52/388655952.db2.gz QTUNKEWYCKSAHG-UHFFFAOYSA-N 1 1 246.314 2.180 40 0 BEABMO CCOc1c(C)cc(-c2noc(C[NH3+])n2)cc1C ZINC000095095336 388759555 /nfs/dbraw/zinc/75/95/55/388759555.db2.gz AZLXAGDYZLXMGI-UHFFFAOYSA-N 1 1 247.298 2.211 40 0 BEABMO C[N@@H+]1C[C@H](N)[C@@H](c2cccc3ccccc32)C1 ZINC000225606817 388839801 /nfs/dbraw/zinc/83/98/01/388839801.db2.gz ZFXMGGNUDJFQJW-CABCVRRESA-N 1 1 226.323 2.196 40 0 BEABMO C[N@H+]1C[C@H](N)[C@@H](c2cccc3ccccc32)C1 ZINC000225606817 388839804 /nfs/dbraw/zinc/83/98/04/388839804.db2.gz ZFXMGGNUDJFQJW-CABCVRRESA-N 1 1 226.323 2.196 40 0 BEABMO c1cc(N2CCCCC2)nc(N2CCCCC2)[nH+]1 ZINC000001677613 132314470 /nfs/dbraw/zinc/31/44/70/132314470.db2.gz OYKMNFGHDIMEPW-UHFFFAOYSA-N 1 1 246.358 2.457 40 0 BEABMO CC(C)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000072361110 166968013 /nfs/dbraw/zinc/96/80/13/166968013.db2.gz GOWHZYKUHLVMOH-UHFFFAOYSA-N 1 1 207.321 2.245 40 0 BEABMO C1CCN2C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]2C1 ZINC000053683687 398105003 /nfs/dbraw/zinc/10/50/03/398105003.db2.gz SLRCCWJSBJZJBV-AJNGGQMLSA-N 1 1 234.387 2.345 40 0 in-vivo BEABMO C1CCN2C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@@H]34)[C@@H]2C1 ZINC000053683687 398105008 /nfs/dbraw/zinc/10/50/08/398105008.db2.gz SLRCCWJSBJZJBV-AJNGGQMLSA-N 1 1 234.387 2.345 40 0 in-vivo BEABMO CC(C)[N@H+]1CC[C@H](c2nc3cccnc3[nH]2)C1 ZINC000049168814 167026920 /nfs/dbraw/zinc/02/69/20/167026920.db2.gz RNKMHLLZGBBRIU-JTQLQIEISA-N 1 1 230.315 2.156 40 0 biogenic,in-vitro BEABMO CC[N@H+]1CCN[C@@H](c2ccccc2)C1(C)C ZINC000019365045 170000606 /nfs/dbraw/zinc/00/06/06/170000606.db2.gz DLWQVUKPXRXNAM-ZDUSSCGKSA-N 1 1 218.344 2.431 40 0 BEABMO CCN1CC[NH2+][C@@H](c2ccccc2)C1(C)C ZINC000019365045 170000607 /nfs/dbraw/zinc/00/06/07/170000607.db2.gz DLWQVUKPXRXNAM-ZDUSSCGKSA-N 1 1 218.344 2.431 40 0 BEABMO CCN1CC[C@@H]([NH2+]C[C@@H](C)SC)[C@H](C)C1 ZINC000090725123 170011295 /nfs/dbraw/zinc/01/12/95/170011295.db2.gz GLBSBOQHIMFMPB-IJLUTSLNSA-N 1 1 230.421 2.058 40 0 BEABMO C[N@H+]1CCCN(C(=S)Nc2ccccc2)CC1 ZINC000000097838 173013403 /nfs/dbraw/zinc/01/34/03/173013403.db2.gz PGVMVHWHRGEMRC-UHFFFAOYSA-N 1 1 249.383 2.021 40 0 BEABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2F)C1 ZINC000082324146 173037975 /nfs/dbraw/zinc/03/79/75/173037975.db2.gz AQSPRKBXNJCRDX-JTQLQIEISA-N 1 1 236.290 2.106 40 0 BEABMO C[N@H+]1CCC[C@H]1c1cccc(N2CCCC2)n1 ZINC000072386404 173058471 /nfs/dbraw/zinc/05/84/71/173058471.db2.gz ITBAWELFJHINFA-ZDUSSCGKSA-N 1 1 231.343 2.449 40 0 BEABMO C[N@H+]1CC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096268652 173167458 /nfs/dbraw/zinc/16/74/58/173167458.db2.gz FXAUFSFRSZAMEP-ZDUSSCGKSA-N 1 1 236.384 2.276 40 0 BEABMO CN1CC[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096268652 173167463 /nfs/dbraw/zinc/16/74/63/173167463.db2.gz FXAUFSFRSZAMEP-ZDUSSCGKSA-N 1 1 236.384 2.276 40 0 BEABMO CN1CC[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096268652 173167464 /nfs/dbraw/zinc/16/74/64/173167464.db2.gz FXAUFSFRSZAMEP-ZDUSSCGKSA-N 1 1 236.384 2.276 40 0 BEABMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](OC(=O)c1ccco1)C2 ZINC000100745143 173204754 /nfs/dbraw/zinc/20/47/54/173204754.db2.gz GGHICGWVZFRCPF-ZSBIGDGJSA-N 1 1 249.310 2.452 40 0 BEABMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)c1ccccc1)C2 ZINC000100392399 173207459 /nfs/dbraw/zinc/20/74/59/173207459.db2.gz XQJMXPAEFMWDOZ-BTTYYORXSA-N 1 1 245.322 2.469 40 0 biogenic,in-vitro BEABMO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000218856575 175091646 /nfs/dbraw/zinc/09/16/46/175091646.db2.gz PHQGZTBHYWLDBZ-HUUCEWRRSA-N 1 1 248.370 2.097 40 0 BEABMO COc1cccc(C[N@H+]2CC[C@]3(CCCO3)C2)c1 ZINC000096051026 175259844 /nfs/dbraw/zinc/25/98/44/175259844.db2.gz URFXVJJRVFWPJS-OAHLLOKOSA-N 1 1 247.338 2.450 40 0 BEABMO COc1ccccc1[C@@H]([NH3+])c1ccccn1 ZINC000037466340 175347438 /nfs/dbraw/zinc/34/74/38/175347438.db2.gz ZJWYEBFUZYOBGI-CYBMUJFWSA-N 1 1 214.268 2.138 40 0 BEABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCc1ccccc1 ZINC000072324608 176322729 /nfs/dbraw/zinc/32/27/29/176322729.db2.gz OWXRKLBEDFCSBI-GDBMZVCRSA-N 1 1 244.382 2.398 40 0 BEABMO C[C@H]1CCCN(C[N@H+]2CCC[C@H](C)C2)C1 ZINC000019321099 177100280 /nfs/dbraw/zinc/10/02/80/177100280.db2.gz KLFHRQOZJWCFOI-STQMWFEESA-N 1 1 210.365 2.408 40 0 BEABMO C[C@H]1CCC[N@H+]1C[C@H](CO)c1ccccc1 ZINC000309336826 177108565 /nfs/dbraw/zinc/10/85/65/177108565.db2.gz AYVQIOHOTIJXIA-GXTWGEPZSA-N 1 1 219.328 2.247 40 0 BEABMO C[C@@H]1C[C@H](OC(=O)c2ccco2)[C@@H](C)C[N@H+]1C ZINC000101176578 177239324 /nfs/dbraw/zinc/23/93/24/177239324.db2.gz MLVZDGWIMKLZEE-UMNHJUIQSA-N 1 1 237.299 2.165 40 0 BEABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(F)c1 ZINC000019575778 177280991 /nfs/dbraw/zinc/28/09/91/177280991.db2.gz GETWVEJSRHTUMV-WFASDCNBSA-N 1 1 248.345 2.494 40 0 BEABMO C[C@@H]1[NH2+]C[C@H]2C[C@@H]1CN(Cc1ccccc1)C2 ZINC000109325001 490270136 /nfs/dbraw/zinc/27/01/36/490270136.db2.gz JVNQIVFIOMMCFT-NWANDNLSSA-N 1 1 230.355 2.116 40 0 BEABMO Cc1cc(C[N@@H+]2CC[C@@H](c3n[nH]cc3C)C2)no1 ZINC000257295211 178000983 /nfs/dbraw/zinc/00/09/83/178000983.db2.gz QXLFHBWDOBYAGN-LLVKDONJSA-N 1 1 246.314 2.004 40 0 BEABMO Cc1cc(C[N@H+]2CC[C@@H](c3n[nH]cc3C)C2)no1 ZINC000257295211 178000986 /nfs/dbraw/zinc/00/09/86/178000986.db2.gz QXLFHBWDOBYAGN-LLVKDONJSA-N 1 1 246.314 2.004 40 0 BEABMO CC(C)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000072361109 343979944 /nfs/dbraw/zinc/97/99/44/343979944.db2.gz SXCPPZPZCNCMJW-GFCCVEGCSA-N 1 1 219.332 2.312 40 0 BEABMO CC[N@H+]1CCC[C@@H](c2nc(C)cc(NC)n2)C1 ZINC000072361103 343980023 /nfs/dbraw/zinc/98/00/23/343980023.db2.gz MGQWTALZDBSPBV-LLVKDONJSA-N 1 1 234.347 2.026 40 0 BEABMO CCCCC[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000001731651 342711684 /nfs/dbraw/zinc/71/16/84/342711684.db2.gz JCVNEDPQGZFHAT-LBPRGKRZSA-N 1 1 242.363 2.339 40 0 BEABMO Cc1cc([C@@H]2CCCC[N@@H+]2C)cnc1N ZINC000072218454 259318502 /nfs/dbraw/zinc/31/85/02/259318502.db2.gz YFECOKMUPBSPOH-NSHDSACASA-N 1 1 205.305 2.129 40 0 BEABMO Cc1[nH]c(=O)ccc1[C@H]1CCCC[N@@H+]1C ZINC000072218215 259318008 /nfs/dbraw/zinc/31/80/08/259318008.db2.gz OCWOREFOOKJVKG-LLVKDONJSA-N 1 1 206.289 2.252 40 0 BEABMO CC[C@H]1c2cc(OC)c(O)cc2CC[N@@H+]1C ZINC000003847423 342738175 /nfs/dbraw/zinc/73/81/75/342738175.db2.gz CZISOUSQPMDBJE-NSHDSACASA-N 1 1 221.300 2.340 40 0 BEABMO Cc1cc(CCO)c[nH+]c1NC(C)(C)C ZINC000072222941 259320627 /nfs/dbraw/zinc/32/06/27/259320627.db2.gz DSKCPAOHRIQOQM-UHFFFAOYSA-N 1 1 208.305 2.135 40 0 BEABMO C[NH2+][C@]1(c2ccccc2OC)CCCCC1=O ZINC000097758822 342838148 /nfs/dbraw/zinc/83/81/48/342838148.db2.gz OYAUVHORXFUVAJ-AWEZNQCLSA-N 1 1 233.311 2.253 40 0 in-vitro BEABMO Cc1ccc(CN[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000218854772 398328806 /nfs/dbraw/zinc/32/88/06/398328806.db2.gz ONBQDJOJQCEANE-KGLIPLIRSA-N 1 1 218.344 2.355 40 0 BEABMO Cc1ccc(C[N@@H+](CCN)C(C)C)cc1 ZINC000032011647 343291140 /nfs/dbraw/zinc/29/11/40/343291140.db2.gz GKDJTEZCXJQMRK-UHFFFAOYSA-N 1 1 206.333 2.164 40 0 BEABMO Cc1ccc(C[N@H+](CCN)C(C)C)cc1 ZINC000032011647 343291142 /nfs/dbraw/zinc/29/11/42/343291142.db2.gz GKDJTEZCXJQMRK-UHFFFAOYSA-N 1 1 206.333 2.164 40 0 BEABMO CC[C@@H](OC)[C@@H]([NH2+]Cc1ccccc1)C(C)=O ZINC000064219549 343756545 /nfs/dbraw/zinc/75/65/45/343756545.db2.gz LQQHPKCCORAZML-KGLIPLIRSA-N 1 1 235.327 2.159 40 0 BEABMO CC[C@@H](OC)[C@H]([NH2+]Cc1ccccc1)C(C)=O ZINC000064219546 343756553 /nfs/dbraw/zinc/75/65/53/343756553.db2.gz LQQHPKCCORAZML-ZIAGYGMSSA-N 1 1 235.327 2.159 40 0 BEABMO Cc1nc([C@]2(C)CCC[N@H+](C)C2)cc2cncn21 ZINC000585261105 344372945 /nfs/dbraw/zinc/37/29/45/344372945.db2.gz LLGNLBKMUKLEPT-CQSZACIVSA-N 1 1 244.342 2.021 40 0 BEABMO CN1[C@H]2CCCC[C@H]2[NH+](C)[C@@H]2CCCC[C@@H]21 ZINC000585681219 345909509 /nfs/dbraw/zinc/90/95/09/345909509.db2.gz LODHMOLPIMTBHV-KJGYPYNMSA-N 1 1 222.376 2.486 40 0 BEABMO Cc1cccc(C[N@H+]2CC[C@@H]3O[C@@H](C)C[C@H]3C2)n1 ZINC000096070512 179081915 /nfs/dbraw/zinc/08/19/15/179081915.db2.gz VEZSCPNXSHOZBD-YDHLFZDLSA-N 1 1 246.354 2.389 40 0 BEABMO Cc1cccc(Cl)c1C[N@H+]1CC[C@H](O)C1 ZINC000038539014 179108310 /nfs/dbraw/zinc/10/83/10/179108310.db2.gz WPNNLXPTMJVNAA-JTQLQIEISA-N 1 1 225.719 2.215 40 0 BEABMO CC(C)(C)OC(=O)[C@]1([NH3+])C[C@@H]1c1ccccc1 ZINC000253179819 348246292 /nfs/dbraw/zinc/24/62/92/348246292.db2.gz BWHFMXFCBHHMIA-RISCZKNCSA-N 1 1 233.311 2.213 40 0 BEABMO Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cccnc3)C2)n1 ZINC000205688638 348575479 /nfs/dbraw/zinc/57/54/79/348575479.db2.gz FJJJJDCTLXNOIO-CYBMUJFWSA-N 1 1 242.326 2.103 40 0 BEABMO CC[C@](C)(C(=O)OC)[N@H+]1CCCC[C@@H]1C ZINC000022123463 350084494 /nfs/dbraw/zinc/08/44/94/350084494.db2.gz CTPRENUGVAXXEO-CMPLNLGQSA-N 1 1 213.321 2.203 40 0 BEABMO Cc1nccc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072348353 180208884 /nfs/dbraw/zinc/20/88/84/180208884.db2.gz DUAHZOXHCXGCGS-LBPRGKRZSA-N 1 1 219.332 2.373 40 0 BEABMO Cc1[nH+]ccn1CC(=O)c1ccccc1 ZINC000013281791 180233572 /nfs/dbraw/zinc/23/35/72/180233572.db2.gz SKHPONDLDUHXLE-UHFFFAOYSA-N 1 1 200.241 2.074 40 0 BEABMO [NH3+]CC(=O)c1cc(Cl)ccc1Br ZINC000083324604 188123047 /nfs/dbraw/zinc/12/30/47/188123047.db2.gz YADLWQVLBWPCDC-UHFFFAOYSA-N 1 1 248.507 2.244 40 0 BEABMO C[N@H+]1CCC[C@@H](Cc2nccnc2Cl)C1 ZINC000072363344 188131672 /nfs/dbraw/zinc/13/16/72/188131672.db2.gz IBLDKRUXJUEPSM-VIFPVBQESA-N 1 1 225.723 2.014 40 0 BEABMO C[C@H]1[NH2+]C[C@H]2C[C@@H]1CN(Cc1ccccc1)C2 ZINC000109325003 188151808 /nfs/dbraw/zinc/15/18/08/188151808.db2.gz JVNQIVFIOMMCFT-BPLDGKMQSA-N 1 1 230.355 2.116 40 0 BEABMO CC(C)Cn1cc(C[NH2+]Cc2ccco2)cn1 ZINC000181754255 188526144 /nfs/dbraw/zinc/52/61/44/188526144.db2.gz IVNKUZYWQCWWJH-UHFFFAOYSA-N 1 1 233.315 2.422 40 0 BEABMO [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1ccccc1 ZINC000095618994 181364086 /nfs/dbraw/zinc/36/40/86/181364086.db2.gz BAGSTEWFKZNUCD-UHFFFAOYSA-N 1 1 230.355 2.390 40 0 BEABMO [NH3+]CC12CCC(CC1)C[N@H+]2Cc1ccccc1 ZINC000095618994 181364089 /nfs/dbraw/zinc/36/40/89/181364089.db2.gz BAGSTEWFKZNUCD-UHFFFAOYSA-N 1 1 230.355 2.390 40 0 BEABMO NCC12CCC(CC1)C[N@@H+]2Cc1ccccc1 ZINC000095618994 181364091 /nfs/dbraw/zinc/36/40/91/181364091.db2.gz BAGSTEWFKZNUCD-UHFFFAOYSA-N 1 1 230.355 2.390 40 0 BEABMO NCC12CCC(CC1)C[N@H+]2Cc1ccccc1 ZINC000095618994 181364093 /nfs/dbraw/zinc/36/40/93/181364093.db2.gz BAGSTEWFKZNUCD-UHFFFAOYSA-N 1 1 230.355 2.390 40 0 BEABMO [NH3+]CC12CCC(CC1)[N@@H+]2Cc1ccccc1 ZINC000075629648 181364504 /nfs/dbraw/zinc/36/45/04/181364504.db2.gz QTMONMDGPWWXOL-UHFFFAOYSA-N 1 1 216.328 2.142 40 0 BEABMO [NH3+]CC12CCC(CC1)[N@H+]2Cc1ccccc1 ZINC000075629648 181364507 /nfs/dbraw/zinc/36/45/07/181364507.db2.gz QTMONMDGPWWXOL-UHFFFAOYSA-N 1 1 216.328 2.142 40 0 BEABMO NCC12CCC(CC1)[N@@H+]2Cc1ccccc1 ZINC000075629648 181364509 /nfs/dbraw/zinc/36/45/09/181364509.db2.gz QTMONMDGPWWXOL-UHFFFAOYSA-N 1 1 216.328 2.142 40 0 BEABMO NCC12CCC(CC1)[N@H+]2Cc1ccccc1 ZINC000075629648 181364512 /nfs/dbraw/zinc/36/45/12/181364512.db2.gz QTMONMDGPWWXOL-UHFFFAOYSA-N 1 1 216.328 2.142 40 0 BEABMO Cc1c[nH]nc1[C@]1(C)C[N@H+](C2CCCC2)CCO1 ZINC000205673879 368356335 /nfs/dbraw/zinc/35/63/35/368356335.db2.gz QKHUTFHOKRHHRE-AWEZNQCLSA-N 1 1 249.358 2.208 40 0 BEABMO C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000108275825 369384840 /nfs/dbraw/zinc/38/48/40/369384840.db2.gz RSFGURGCIUVVEK-RBSFLKMASA-N 1 1 236.403 2.498 40 0 BEABMO C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000108275825 369384844 /nfs/dbraw/zinc/38/48/44/369384844.db2.gz RSFGURGCIUVVEK-RBSFLKMASA-N 1 1 236.403 2.498 40 0 BEABMO C[C@H]1[NH2+]C[C@@H]2C[C@H]1CN(Cc1ccccc1)C2 ZINC000095093768 371248912 /nfs/dbraw/zinc/24/89/12/371248912.db2.gz JVNQIVFIOMMCFT-SNPRPXQTSA-N 1 1 230.355 2.116 40 0 BEABMO [NH3+][C@@H](c1nc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000095533379 181633868 /nfs/dbraw/zinc/63/38/68/181633868.db2.gz PNJPLGRBNURGHO-LLVKDONJSA-N 1 1 240.266 2.113 40 0 BEABMO [NH3+]CC(F)(F)Sc1ccc(F)cc1 ZINC000131749491 371666308 /nfs/dbraw/zinc/66/63/08/371666308.db2.gz AFHCNXNWVODIMG-UHFFFAOYSA-N 1 1 207.220 2.469 40 0 BEABMO OC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000038539727 183029779 /nfs/dbraw/zinc/02/97/79/183029779.db2.gz DZQAXPHAXNVFOY-UHFFFAOYSA-N 1 1 243.709 2.436 40 0 BEABMO CCCC[C@]([NH3+])(Cc1ccccc1)C(=O)OC ZINC000022114019 169015473 /nfs/dbraw/zinc/01/54/73/169015473.db2.gz MTNJHLZOCXMYHU-AWEZNQCLSA-N 1 1 235.327 2.290 40 0 BEABMO O[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000038538801 183198942 /nfs/dbraw/zinc/19/89/42/183198942.db2.gz ZMAVNKAIOGNWPY-SECBINFHSA-N 1 1 229.682 2.046 40 0 BEABMO O[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000038538801 183198945 /nfs/dbraw/zinc/19/89/45/183198945.db2.gz ZMAVNKAIOGNWPY-SECBINFHSA-N 1 1 229.682 2.046 40 0 BEABMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1ccccn1)CC2 ZINC000019401591 183218273 /nfs/dbraw/zinc/21/82/73/183218273.db2.gz RPRHYUWMVLXVKX-DZGCQCFKSA-N 1 1 246.354 2.209 40 0 BEABMO O[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000096311757 183239765 /nfs/dbraw/zinc/23/97/65/183239765.db2.gz RLWPQZYLNLZHTF-VIFPVBQESA-N 1 1 229.682 2.046 40 0 BEABMO O[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000096311757 183239767 /nfs/dbraw/zinc/23/97/67/183239767.db2.gz RLWPQZYLNLZHTF-VIFPVBQESA-N 1 1 229.682 2.046 40 0 BEABMO O[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000038538926 183239902 /nfs/dbraw/zinc/23/99/02/183239902.db2.gz MEBRSZYUCIHFKS-VIFPVBQESA-N 1 1 229.682 2.046 40 0 BEABMO O[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000038538926 183239903 /nfs/dbraw/zinc/23/99/03/183239903.db2.gz MEBRSZYUCIHFKS-VIFPVBQESA-N 1 1 229.682 2.046 40 0 BEABMO CCC[N@@H+](C[C@H](N)CCSC)CC1CC1 ZINC000096523872 169137807 /nfs/dbraw/zinc/13/78/07/169137807.db2.gz MYZVIZJQPVCMOH-GFCCVEGCSA-N 1 1 230.421 2.189 40 0 BEABMO CCCN(C[C@H]([NH3+])CCSC)CC1CC1 ZINC000096523872 169137809 /nfs/dbraw/zinc/13/78/09/169137809.db2.gz MYZVIZJQPVCMOH-GFCCVEGCSA-N 1 1 230.421 2.189 40 0 BEABMO CCC[N@@H+]1CCc2sc(C=O)cc2C1 ZINC000096510414 169210009 /nfs/dbraw/zinc/21/00/09/169210009.db2.gz KVHQGXIOGSOMFS-UHFFFAOYSA-N 1 1 209.314 2.329 40 0 BEABMO CCC[N@H+]1CCc2sc(C=O)cc2C1 ZINC000096510414 169210010 /nfs/dbraw/zinc/21/00/10/169210010.db2.gz KVHQGXIOGSOMFS-UHFFFAOYSA-N 1 1 209.314 2.329 40 0 BEABMO c1cc([C@@H]2CC[N@H+](CCc3ccccc3)C2)n[nH]1 ZINC000072381576 183393126 /nfs/dbraw/zinc/39/31/26/183393126.db2.gz ZCWBNXPAYIFICZ-CQSZACIVSA-N 1 1 241.338 2.442 40 0 BEABMO c1cc([C@@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]n1 ZINC000072381576 183393128 /nfs/dbraw/zinc/39/31/28/183393128.db2.gz ZCWBNXPAYIFICZ-CQSZACIVSA-N 1 1 241.338 2.442 40 0 BEABMO c1cc([C@@H]2CC[N@H+](CCc3ccccc3)C2)[nH]n1 ZINC000072381576 183393131 /nfs/dbraw/zinc/39/31/31/183393131.db2.gz ZCWBNXPAYIFICZ-CQSZACIVSA-N 1 1 241.338 2.442 40 0 BEABMO CNc1cc(SCc2ccccc2)[nH+]c(N)n1 ZINC000001670217 383921094 /nfs/dbraw/zinc/92/10/94/383921094.db2.gz HOOPCRXZRUPHJW-UHFFFAOYSA-N 1 1 246.339 2.393 40 0 BEABMO [NH3+]Cc1nc(-c2ccccc2C(F)(F)F)no1 ZINC000073640848 384028801 /nfs/dbraw/zinc/02/88/01/384028801.db2.gz GVIJHQVOFXFCAX-UHFFFAOYSA-N 1 1 243.188 2.214 40 0 BEABMO Cn1c2cc(Cl)ccc2c2nc[nH+]c(NN)c21 ZINC000408712511 384180878 /nfs/dbraw/zinc/18/08/78/384180878.db2.gz ZZYHMXDOXUAPRF-UHFFFAOYSA-N 1 1 247.689 2.061 40 0 BEABMO C[N@H+]1CCC[C@@H](Cc2ccc(Cl)nn2)CC1 ZINC000072343829 384208944 /nfs/dbraw/zinc/20/89/44/384208944.db2.gz OLGMPPNIMUBFLS-SNVBAGLBSA-N 1 1 239.750 2.404 40 0 BEABMO [NH3+]CC(=O)c1cc(Cl)c(F)c(Cl)c1 ZINC000097447172 384522285 /nfs/dbraw/zinc/52/22/85/384522285.db2.gz HMFXXUFNHBIUOT-UHFFFAOYSA-N 1 1 222.046 2.274 40 0 BEABMO C[C@@](CN)(c1cccs1)[NH+]1CCCCC1 ZINC000070453217 384563894 /nfs/dbraw/zinc/56/38/94/384563894.db2.gz LTHWKBJZIGQDIN-GFCCVEGCSA-N 1 1 224.373 2.408 40 0 BEABMO CC(C)(C)Cc1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000082673404 384700235 /nfs/dbraw/zinc/70/02/35/384700235.db2.gz LMRSCXBSWYTJPQ-VIFPVBQESA-N 1 1 223.320 2.473 40 0 BEABMO CC(=O)c1c(N)sc2c1C[C@@H]1CC[C@H]2[N@H+]1C ZINC000083744561 384857681 /nfs/dbraw/zinc/85/76/81/384857681.db2.gz JVVYEWFPMWXSTB-IONNQARKSA-N 1 1 236.340 2.224 40 0 BEABMO CN(C)CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000057322201 384938716 /nfs/dbraw/zinc/93/87/16/384938716.db2.gz JBCZCAQAEQISHN-UHFFFAOYSA-N 1 1 226.751 2.381 40 0 BEABMO COc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072211677 385071471 /nfs/dbraw/zinc/07/14/71/385071471.db2.gz FWFQSNCGOZDMOU-LLVKDONJSA-N 1 1 206.289 2.247 40 0 BEABMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccccn2)cn1 ZINC000072187782 385045722 /nfs/dbraw/zinc/04/57/22/385045722.db2.gz MWSODTMRJLYVLQ-AWEZNQCLSA-N 1 1 242.326 2.152 40 0 BEABMO C[C@@H]1[C@H](C)[N@H+](C)CC[C@]1(O)c1ccccc1 ZINC000003996632 385130055 /nfs/dbraw/zinc/13/00/55/385130055.db2.gz BPCAXUWVIOXYQR-MBNYWOFBSA-N 1 1 219.328 2.234 40 0 BEABMO Cc1cc([C@@H]2CCC[N@@H+]2C)c[nH]c1=S ZINC000072218245 385099827 /nfs/dbraw/zinc/09/98/27/385099827.db2.gz XNYOUKMMXOSSOY-JTQLQIEISA-N 1 1 208.330 2.445 40 0 BEABMO Cc1cc(=S)[nH]cc1[C@H]1CCC[N@@H+]1C ZINC000072218306 385100067 /nfs/dbraw/zinc/10/00/67/385100067.db2.gz CBGSOLUGYGGVLY-SNVBAGLBSA-N 1 1 208.330 2.445 40 0 BEABMO CC(=O)N1CCCC[C@@H]1c1c[nH+]c(N)cc1C ZINC000072218535 385100193 /nfs/dbraw/zinc/10/01/93/385100193.db2.gz QARLHCBJDHSWFX-GFCCVEGCSA-N 1 1 233.315 2.046 40 0 BEABMO CC[N@H+]1CCC[C@@H]1c1c[nH]c(=O)cc1C ZINC000072218131 385102075 /nfs/dbraw/zinc/10/20/75/385102075.db2.gz MOJFHVHYVXQKNE-LLVKDONJSA-N 1 1 206.289 2.252 40 0 BEABMO CCOc1ccccc1-c1cnc(C[NH3+])o1 ZINC000072220121 385106834 /nfs/dbraw/zinc/10/68/34/385106834.db2.gz LKTQKMOARHNIRK-UHFFFAOYSA-N 1 1 218.256 2.199 40 0 BEABMO CC(C)C(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000062108905 385157495 /nfs/dbraw/zinc/15/74/95/385157495.db2.gz KAWJAHNOISOICP-AWEZNQCLSA-N 1 1 246.354 2.158 40 0 BEABMO CC(C)C(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000062108905 385157501 /nfs/dbraw/zinc/15/75/01/385157501.db2.gz KAWJAHNOISOICP-AWEZNQCLSA-N 1 1 246.354 2.158 40 0 BEABMO N[C@@H]1CC[N@H+](CCCC2CCCCC2)C1 ZINC000096523514 385266770 /nfs/dbraw/zinc/26/67/70/385266770.db2.gz KDDMXPVXTDQVRK-CYBMUJFWSA-N 1 1 210.365 2.380 40 0 BEABMO N[C@@H]1CC[N@@H+](CCCC2CCCCC2)C1 ZINC000096523514 385266778 /nfs/dbraw/zinc/26/67/78/385266778.db2.gz KDDMXPVXTDQVRK-CYBMUJFWSA-N 1 1 210.365 2.380 40 0 BEABMO CC(C)[C@H]([NH3+])CCN1CCc2ccccc2C1 ZINC000058058354 385514776 /nfs/dbraw/zinc/51/47/76/385514776.db2.gz HLZSQODFLMPYFM-OAHLLOKOSA-N 1 1 232.371 2.418 40 0 BEABMO C[C@@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441128 385653307 /nfs/dbraw/zinc/65/33/07/385653307.db2.gz HLIXKZWWISMBDS-RXMQYKEDSA-N 1 1 240.104 2.345 40 0 BEABMO CC[NH+](CC)[C@H](CN)c1cccc(F)c1 ZINC000022172301 385685550 /nfs/dbraw/zinc/68/55/50/385685550.db2.gz RSVDJBPUBHVGLL-GFCCVEGCSA-N 1 1 210.296 2.167 40 0 BEABMO c1ccc([C@@H]2CCC[N@H+]2C2CCOCC2)nc1 ZINC000257229162 385756046 /nfs/dbraw/zinc/75/60/46/385756046.db2.gz FWXTYTRXDOOXHX-AWEZNQCLSA-N 1 1 232.327 2.398 40 0 BEABMO Cc1c[nH]c([C@H]2CCN(c3ccccn3)C2)[nH+]1 ZINC000257276713 385757226 /nfs/dbraw/zinc/75/72/26/385757226.db2.gz NUVRAZTWFRGQGM-NSHDSACASA-N 1 1 228.299 2.107 40 0 BEABMO C1C[C@H]2CN(C3CCCCC3)CC[C@@H]1[NH2+]2 ZINC000096058568 385905447 /nfs/dbraw/zinc/90/54/47/385905447.db2.gz CTMRLVAOXBORFK-NEPJUHHUSA-N 1 1 208.349 2.145 40 0 BEABMO C[C@@H]1[NH2+]CCn2c(COCC3CCCC3)cnc21 ZINC000306143265 385992560 /nfs/dbraw/zinc/99/25/60/385992560.db2.gz XXKWOQJYFQMDTK-NSHDSACASA-N 1 1 249.358 2.254 40 0 BEABMO CCN(CC)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000038860265 386139041 /nfs/dbraw/zinc/13/90/41/386139041.db2.gz PYCOBKDXVRLWGL-ZDUSSCGKSA-N 1 1 206.333 2.337 40 0 BEABMO C1C[C@@H]2[C@H](C1)NCC[N@@H+]2C1CCCCC1 ZINC000218851303 386253090 /nfs/dbraw/zinc/25/30/90/386253090.db2.gz GHGZLQZVXKLYNC-QWHCGFSZSA-N 1 1 208.349 2.145 40 0 BEABMO CCCc1nc([C@H]2CCCCC[NH2+]2)no1 ZINC000159522493 386700540 /nfs/dbraw/zinc/70/05/40/386700540.db2.gz MOKODIYQKLXQED-SECBINFHSA-N 1 1 209.293 2.227 40 0 BEABMO CC(C)[C@@H](C(=O)c1ccc2c(c1)OCO2)[NH+](C)C ZINC000575419575 387027680 /nfs/dbraw/zinc/02/76/80/387027680.db2.gz SZMQLCSYJQIPAH-ZDUSSCGKSA-N 1 1 249.310 2.184 40 0 in-vitro BEABMO C(=C/c1ccccc1)\CCN[C@@H]1CCC[NH2+]C1 ZINC000079439245 387854624 /nfs/dbraw/zinc/85/46/24/387854624.db2.gz ZXOMGXZWDRHMEO-BCFOUKGLSA-N 1 1 230.355 2.432 40 0 BEABMO C[N@@H+]1C[C@H](N)[C@H](c2cccc3ccccc32)C1 ZINC000217661804 387979431 /nfs/dbraw/zinc/97/94/31/387979431.db2.gz ZFXMGGNUDJFQJW-GJZGRUSLSA-N 1 1 226.323 2.196 40 0 BEABMO C[N@H+]1C[C@H](N)[C@H](c2cccc3ccccc32)C1 ZINC000217661804 387979432 /nfs/dbraw/zinc/97/94/32/387979432.db2.gz ZFXMGGNUDJFQJW-GJZGRUSLSA-N 1 1 226.323 2.196 40 0 BEABMO OC[C@]1(c2ccccc2)CC[N@H+]2CCCC[C@H]21 ZINC000245240296 388086399 /nfs/dbraw/zinc/08/63/99/388086399.db2.gz QKDCTUBAQIWOAZ-GJZGRUSLSA-N 1 1 231.339 2.175 40 0 BEABMO C[N@H+]1C[C@H](CO)[C@H](c2cccc3ccccc32)C1 ZINC000217672146 256841831 /nfs/dbraw/zinc/84/18/31/256841831.db2.gz ZNNSSQQNZDAPMD-CZUORRHYSA-N 1 1 241.334 2.477 40 0 BEABMO CCC[C@H](C(=O)OC)[N@H+]1CCCC[C@H]1C ZINC000248126402 388673934 /nfs/dbraw/zinc/67/39/34/388673934.db2.gz XCUSXHHSDBPAFM-GHMZBOCLSA-N 1 1 213.321 2.203 40 0 BEABMO C[C@@H]([NH3+])c1nc(C2=Cc3ccccc3OC2)no1 ZINC000062716584 388655390 /nfs/dbraw/zinc/65/53/90/388655390.db2.gz TUFLYNWIDXPFBN-MRVPVSSYSA-N 1 1 243.266 2.022 40 0 BEABMO Cc1ccc([C@@H]([NH3+])c2nnc(C3CC3)[nH]2)cc1 ZINC000095534159 388777263 /nfs/dbraw/zinc/77/72/63/388777263.db2.gz LPWRYHGMTDCUDU-LLVKDONJSA-N 1 1 228.299 2.039 40 0 BEABMO CC(C)OCCC[N@@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000225712537 388841386 /nfs/dbraw/zinc/84/13/86/388841386.db2.gz SVOFHSOHNPEOPL-KBPBESRZSA-N 1 1 240.391 2.018 40 0 BEABMO CC(C)OCCC[N@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000225712537 388841390 /nfs/dbraw/zinc/84/13/90/388841390.db2.gz SVOFHSOHNPEOPL-KBPBESRZSA-N 1 1 240.391 2.018 40 0 BEABMO C[C@@H]1C[C@@H](C)C[NH+](c2ccc(N)cc2N)C1 ZINC000216767779 132250674 /nfs/dbraw/zinc/25/06/74/132250674.db2.gz UGCJLVZPBOHKRY-NXEZZACHSA-N 1 1 219.332 2.333 40 0 BEABMO CC(C)n1nccc1C[NH2+]Cc1ccco1 ZINC000256050064 398040688 /nfs/dbraw/zinc/04/06/88/398040688.db2.gz CMMQKFKCFAMCBC-UHFFFAOYSA-N 1 1 219.288 2.347 40 0 BEABMO CC(C)(C)c1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000020561185 398093768 /nfs/dbraw/zinc/09/37/68/398093768.db2.gz VLQGKBVCBAOFFQ-QMMMGPOBSA-N 1 1 209.293 2.182 40 0 BEABMO CC(C)[N@H+]1CC[C@H](Nc2ccnc(Cl)n2)C1 ZINC000038579680 167024860 /nfs/dbraw/zinc/02/48/60/167024860.db2.gz ZRRCHVQXBQFVQU-VIFPVBQESA-N 1 1 240.738 2.025 40 0 BEABMO CCC(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000225258351 168228729 /nfs/dbraw/zinc/22/87/29/168228729.db2.gz LIICHGVIIAHLRV-LBPRGKRZSA-N 1 1 226.364 2.167 40 0 BEABMO CCN1CC[C@@H]([NH2+]C[C@@H](C)SC)[C@@H](C)C1 ZINC000110704347 170012602 /nfs/dbraw/zinc/01/26/02/170012602.db2.gz GLBSBOQHIMFMPB-QJPTWQEYSA-N 1 1 230.421 2.058 40 0 BEABMO CC[N@H+]1CC[C@]12CCN(Cc1ccccc1F)C2 ZINC000096090185 170024265 /nfs/dbraw/zinc/02/42/65/170024265.db2.gz BSECRFUCVOVEKD-HNNXBMFYSA-N 1 1 248.345 2.496 40 0 BEABMO CCN1CC[C@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000096090185 170024266 /nfs/dbraw/zinc/02/42/66/170024266.db2.gz BSECRFUCVOVEKD-HNNXBMFYSA-N 1 1 248.345 2.496 40 0 BEABMO CCN1CC[C@]12CC[N@@H+](Cc1ccccc1F)C2 ZINC000096090185 170024267 /nfs/dbraw/zinc/02/42/67/170024267.db2.gz BSECRFUCVOVEKD-HNNXBMFYSA-N 1 1 248.345 2.496 40 0 BEABMO CC[NH2+]Cc1nc2ccc(Cl)cc2[nH]1 ZINC000022122060 170131395 /nfs/dbraw/zinc/13/13/95/170131395.db2.gz RKBWNCHOYQMZQE-UHFFFAOYSA-N 1 1 209.680 2.326 40 0 BEABMO CCn1c2ccccc2nc1C[NH+](C)C ZINC000005235854 172145117 /nfs/dbraw/zinc/14/51/17/172145117.db2.gz WNFKEYKNJQMQNY-UHFFFAOYSA-N 1 1 203.289 2.118 40 0 BEABMO C[N@H+]1CCC[C@H](Cc2cncc(Cl)n2)CC1 ZINC000257240827 173041224 /nfs/dbraw/zinc/04/12/24/173041224.db2.gz HVINYWYRAUYZGI-JTQLQIEISA-N 1 1 239.750 2.404 40 0 BEABMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1 ZINC000009876653 173041270 /nfs/dbraw/zinc/04/12/70/173041270.db2.gz SFBVGSDVKVREGX-GFCCVEGCSA-N 1 1 247.342 2.150 40 0 BEABMO CN1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC000104094818 173041752 /nfs/dbraw/zinc/04/17/52/173041752.db2.gz OUOCECDKBRCIDM-HNNXBMFYSA-N 1 1 232.371 2.460 40 0 BEABMO CN1CCC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000104094818 173041756 /nfs/dbraw/zinc/04/17/56/173041756.db2.gz OUOCECDKBRCIDM-HNNXBMFYSA-N 1 1 232.371 2.460 40 0 BEABMO CN(Cc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000104094818 173041758 /nfs/dbraw/zinc/04/17/58/173041758.db2.gz OUOCECDKBRCIDM-HNNXBMFYSA-N 1 1 232.371 2.460 40 0 BEABMO CN(Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000104094818 173041760 /nfs/dbraw/zinc/04/17/60/173041760.db2.gz OUOCECDKBRCIDM-HNNXBMFYSA-N 1 1 232.371 2.460 40 0 BEABMO C[N@H+]1CC[C@@H](Cc2ccnc(Cl)c2)C1 ZINC000205699862 173118042 /nfs/dbraw/zinc/11/80/42/173118042.db2.gz AKJURBGTIUHRNC-JTQLQIEISA-N 1 1 210.708 2.229 40 0 BEABMO C[N@H+]1CC[C@]2(CO2)c2cc(Cl)ccc2C1 ZINC000096510472 173167512 /nfs/dbraw/zinc/16/75/12/173167512.db2.gz HFRKUBWZPADPJK-LBPRGKRZSA-N 1 1 223.703 2.401 40 0 BEABMO COC(=O)[C@@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000001698262 173702807 /nfs/dbraw/zinc/70/28/07/173702807.db2.gz ZHDGIWAWWUNORR-CQSZACIVSA-N 1 1 247.338 2.257 40 0 BEABMO COc1cc2c(cc1OC)C[N@@H+](C)[C@H](C)C2 ZINC000002034004 175024200 /nfs/dbraw/zinc/02/42/00/175024200.db2.gz FPKSKXFZCSATTG-SECBINFHSA-N 1 1 221.300 2.080 40 0 BEABMO COc1ccc(C)c2c(NCC[NH3+])cc(C)nc12 ZINC000222691568 175070780 /nfs/dbraw/zinc/07/07/80/175070780.db2.gz VXGOBFBMYTUGET-UHFFFAOYSA-N 1 1 245.326 2.231 40 0 BEABMO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000095147659 175887440 /nfs/dbraw/zinc/88/74/40/175887440.db2.gz QOLAVFJYNHHXEP-VXGBXAGGSA-N 1 1 236.334 2.476 40 0 BEABMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@]1(O)c1ccccc1 ZINC000003901849 177386903 /nfs/dbraw/zinc/38/69/03/177386903.db2.gz CTKBMLDLEZVLNP-MBNYWOFBSA-N 1 1 219.328 2.234 40 0 BEABMO C[C@H]1C[C@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]2O1 ZINC000096045892 177387325 /nfs/dbraw/zinc/38/73/25/177387325.db2.gz KALWPCOXOMEFGQ-DRZSPHRISA-N 1 1 221.300 2.279 40 0 BEABMO C[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2O1 ZINC000096070659 490360447 /nfs/dbraw/zinc/36/04/47/490360447.db2.gz WODREFHSOGYAAV-KWCYVHTRSA-N 1 1 232.327 2.081 40 0 BEABMO CC[N@H+]1CCC[C@@H](c2[nH]nc3ncccc32)C1 ZINC000072350738 343979548 /nfs/dbraw/zinc/97/95/48/343979548.db2.gz XGVCVIVWTFWOGF-SNVBAGLBSA-N 1 1 230.315 2.157 40 0 BEABMO Cc1cc(C[N@H+]2CC[C@H](O)C2)ccc1Cl ZINC000038538886 178002618 /nfs/dbraw/zinc/00/26/18/178002618.db2.gz ZDMRHYGDMJRQCS-NSHDSACASA-N 1 1 225.719 2.215 40 0 BEABMO C[N@H+]1CCCC[C@@H]1CCNC(=O)c1ccccc1 ZINC000205672029 398273624 /nfs/dbraw/zinc/27/36/24/398273624.db2.gz DTUZNDGIQVNSLL-CQSZACIVSA-N 1 1 246.354 2.291 40 0 BEABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(=O)[nH]c1 ZINC000072212256 259317619 /nfs/dbraw/zinc/31/76/19/259317619.db2.gz GZYHPKZQODSIQD-NSHDSACASA-N 1 1 206.289 2.333 40 0 BEABMO COC(=O)[C@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000006482518 342778487 /nfs/dbraw/zinc/77/84/87/342778487.db2.gz ZHDGIWAWWUNORR-AWEZNQCLSA-N 1 1 247.338 2.257 40 0 BEABMO Cc1cc(C)c2[nH]c(C3CC[NH2+]CC3)nc2n1 ZINC000072220884 259319611 /nfs/dbraw/zinc/31/96/11/259319611.db2.gz WVFODEVWWHDQPU-UHFFFAOYSA-N 1 1 230.315 2.042 40 0 BEABMO CC[C@@H](O)c1ccc(NC2CC2)[nH+]c1C ZINC000072224855 259322002 /nfs/dbraw/zinc/32/20/02/259322002.db2.gz ITWCEAPQDNUDDV-LLVKDONJSA-N 1 1 206.289 2.408 40 0 BEABMO Fc1ccc(-c2n[nH]c([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000012114027 342846818 /nfs/dbraw/zinc/84/68/18/342846818.db2.gz WDPPEBUDKVVXTC-JTQLQIEISA-N 1 1 232.262 2.035 40 0 BEABMO CCCCC[N@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218827961 398328675 /nfs/dbraw/zinc/32/86/75/398328675.db2.gz VUAWENVOQGLHJL-CHWSQXEVSA-N 1 1 210.365 2.393 40 0 BEABMO CCCCCN1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000218827961 398328676 /nfs/dbraw/zinc/32/86/76/398328676.db2.gz VUAWENVOQGLHJL-CHWSQXEVSA-N 1 1 210.365 2.393 40 0 BEABMO CC(C)[C@]12C=CC=CC1=[NH+]C=C2CCO ZINC000036377994 349747565 /nfs/dbraw/zinc/74/75/65/349747565.db2.gz NQZYLESITKLIBQ-ZDUSSCGKSA-N 1 1 203.285 2.476 40 0 BEABMO COC(=O)[C@@H](C(C)C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022123341 343040457 /nfs/dbraw/zinc/04/04/57/343040457.db2.gz XGODMWPEWRNOJL-GRYCIOLGSA-N 1 1 227.348 2.162 40 0 BEABMO CCCC[C@H](CC)C[N@H+]1CCNC[C@@H]1C ZINC000054374673 343658219 /nfs/dbraw/zinc/65/82/19/343658219.db2.gz CTEYDSHQPCHLCV-STQMWFEESA-N 1 1 212.381 2.497 40 0 BEABMO CCCC[C@H](CC)CN1CC[NH2+]C[C@@H]1C ZINC000054374673 343658222 /nfs/dbraw/zinc/65/82/22/343658222.db2.gz CTEYDSHQPCHLCV-STQMWFEESA-N 1 1 212.381 2.497 40 0 BEABMO Cc1ccc([C@H]([NH3+])CN2CCCC2)cc1 ZINC000019257811 344331412 /nfs/dbraw/zinc/33/14/12/344331412.db2.gz GCQBSMRUMWJULF-CYBMUJFWSA-N 1 1 204.317 2.091 40 0 BEABMO Nc1cccc(C2=N[C@H]3C=CC=C[C@@H]3[NH+]=C2)c1 ZINC000000169284 344587210 /nfs/dbraw/zinc/58/72/10/344587210.db2.gz NXWUUVBGDHHZDU-STQMWFEESA-N 1 1 223.279 2.006 40 0 BEABMO Cc1cccc(C)c1NC(=O)N1CC[NH+](C)CC1 ZINC000001741824 179041359 /nfs/dbraw/zinc/04/13/59/179041359.db2.gz OXLUZTZFNBTDDP-UHFFFAOYSA-N 1 1 247.342 2.083 40 0 BEABMO Cc1cccc(C[N@H+]2CCC[C@@H](O)C2)c1C ZINC000038539500 179073275 /nfs/dbraw/zinc/07/32/75/179073275.db2.gz AKTVBDGSHBIDJU-CQSZACIVSA-N 1 1 219.328 2.260 40 0 BEABMO Cc1c[nH]c([C@H]2CC[N@H+](Cc3cscn3)C2)n1 ZINC000205688555 348575223 /nfs/dbraw/zinc/57/52/23/348575223.db2.gz APIZUUQHYNEIHX-JTQLQIEISA-N 1 1 248.355 2.164 40 0 BEABMO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cscn3)C2)n1 ZINC000205688555 348575227 /nfs/dbraw/zinc/57/52/27/348575227.db2.gz APIZUUQHYNEIHX-JTQLQIEISA-N 1 1 248.355 2.164 40 0 BEABMO CC[NH+](CC)CCNCc1ccc(F)cc1 ZINC000019919128 350851846 /nfs/dbraw/zinc/85/18/46/350851846.db2.gz OIZOMDRDTYFBKQ-UHFFFAOYSA-N 1 1 224.323 2.257 40 0 BEABMO CC[NH+](CC)CCNCc1ccccc1C ZINC000019919162 350852130 /nfs/dbraw/zinc/85/21/30/350852130.db2.gz RNZZHANTVNKISX-UHFFFAOYSA-N 1 1 220.360 2.426 40 0 BEABMO CC(C)[N@@H+](CCO)Cc1nccc2ccccc21 ZINC000079422044 188118190 /nfs/dbraw/zinc/11/81/90/188118190.db2.gz RILPRCNHSYKDIO-UHFFFAOYSA-N 1 1 244.338 2.438 40 0 BEABMO C1C[C@@]2(CCC[NH2+]C2)N1C1CCCCC1 ZINC000096050988 188147564 /nfs/dbraw/zinc/14/75/64/188147564.db2.gz ZJZXNJHRYRWZSY-CYBMUJFWSA-N 1 1 208.349 2.147 40 0 BEABMO C1C[C@H]2NCC[N@H+](C3CCCCC3)[C@@H]2C1 ZINC000218851381 188179570 /nfs/dbraw/zinc/17/95/70/188179570.db2.gz GHGZLQZVXKLYNC-CHWSQXEVSA-N 1 1 208.349 2.145 40 0 BEABMO CC(C)[C@@H]1[N@@H+](Cc2cncnc2)CC1(C)C ZINC000294078934 188213264 /nfs/dbraw/zinc/21/32/64/188213264.db2.gz YXBWVTSVXBCLHS-LBPRGKRZSA-N 1 1 219.332 2.343 40 0 BEABMO C[C@H]1c2ccccc2OCC[N@@H+]1CC1(C)COC1 ZINC000608561342 355858808 /nfs/dbraw/zinc/85/88/08/355858808.db2.gz GUNAHLHMKVMCND-LBPRGKRZSA-N 1 1 247.338 2.479 40 0 BEABMO Cc1[nH]nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000026461039 363535853 /nfs/dbraw/zinc/53/58/53/363535853.db2.gz RZSLOJMDEPXRTO-UHFFFAOYSA-N 1 1 227.311 2.276 40 0 BEABMO Cc1n[nH]c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000026461039 363535861 /nfs/dbraw/zinc/53/58/61/363535861.db2.gz RZSLOJMDEPXRTO-UHFFFAOYSA-N 1 1 227.311 2.276 40 0 BEABMO Cc1n[nH]c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000026461039 363535868 /nfs/dbraw/zinc/53/58/68/363535868.db2.gz RZSLOJMDEPXRTO-UHFFFAOYSA-N 1 1 227.311 2.276 40 0 BEABMO C[NH+](C)Cc1noc(N)c1-c1cccc(F)c1 ZINC000026512539 357164844 /nfs/dbraw/zinc/16/48/44/357164844.db2.gz VPXHCBRITGNLEM-UHFFFAOYSA-N 1 1 235.262 2.125 40 0 BEABMO Cc1ccc(CN(C)C2CC[NH2+]CC2)cc1 ZINC000036301446 360871046 /nfs/dbraw/zinc/87/10/46/360871046.db2.gz NSOOCEDJULBFJB-UHFFFAOYSA-N 1 1 218.344 2.179 40 0 BEABMO NC1(c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000096029462 181333639 /nfs/dbraw/zinc/33/36/39/181333639.db2.gz WKMLGDUQNZNVOU-UHFFFAOYSA-N 1 1 244.260 2.243 40 0 BEABMO CN(C)[C@H](CC[NH3+])c1ccc(Cl)cc1 ZINC000011762463 370751072 /nfs/dbraw/zinc/75/10/72/370751072.db2.gz IDNMRNLCEZWGGG-LLVKDONJSA-N 1 1 212.724 2.292 40 0 BEABMO [NH3+]CC1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000084946751 181365416 /nfs/dbraw/zinc/36/54/16/181365416.db2.gz FCNRPBFFBZUMKX-UHFFFAOYSA-N 1 1 240.297 2.136 40 0 BEABMO Cc1c[nH]c([C@@H]2CC[N@@H+](CC3CCC3)C2)n1 ZINC000205694292 368358502 /nfs/dbraw/zinc/35/85/02/368358502.db2.gz NOFZQQKCYJXRKW-GFCCVEGCSA-N 1 1 219.332 2.308 40 0 BEABMO CCN(C(C)=O)[C@@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000205699799 368359741 /nfs/dbraw/zinc/35/97/41/368359741.db2.gz ZQRFNCHVCNWMJA-ZDUSSCGKSA-N 1 1 238.375 2.262 40 0 BEABMO OC[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000013568176 183118262 /nfs/dbraw/zinc/11/82/62/183118262.db2.gz KRIDCXMQJUMNJH-GFCCVEGCSA-N 1 1 244.338 2.372 40 0 BEABMO OC[C@@]1(c2ccccc2)CC[N@H+]2CCCC[C@@H]21 ZINC000095951695 183136220 /nfs/dbraw/zinc/13/62/20/183136220.db2.gz QKDCTUBAQIWOAZ-HUUCEWRRSA-N 1 1 231.339 2.175 40 0 BEABMO O[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000038539731 183235019 /nfs/dbraw/zinc/23/50/19/183235019.db2.gz OYJCUIOUVOOHAD-JTQLQIEISA-N 1 1 243.709 2.436 40 0 BEABMO O[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000038539731 183235021 /nfs/dbraw/zinc/23/50/21/183235021.db2.gz OYJCUIOUVOOHAD-JTQLQIEISA-N 1 1 243.709 2.436 40 0 BEABMO c1cc(C[C@H]2CCC[N@H+](CC3CCC3)C2)n[nH]1 ZINC000257328641 183354805 /nfs/dbraw/zinc/35/48/05/183354805.db2.gz XGNYMGYWZBLCEN-CYBMUJFWSA-N 1 1 233.359 2.464 40 0 BEABMO c1cc(C[C@H]2CCC[N@@H+](CC3CCC3)C2)[nH]n1 ZINC000257328641 183354806 /nfs/dbraw/zinc/35/48/06/183354806.db2.gz XGNYMGYWZBLCEN-CYBMUJFWSA-N 1 1 233.359 2.464 40 0 BEABMO c1cc(C[C@H]2CCC[N@H+](CC3CCC3)C2)[nH]n1 ZINC000257328641 183354807 /nfs/dbraw/zinc/35/48/07/183354807.db2.gz XGNYMGYWZBLCEN-CYBMUJFWSA-N 1 1 233.359 2.464 40 0 BEABMO c1ccc(C2(C[N@@H+]3CCCNCC3)CC2)cc1 ZINC000096523655 183387485 /nfs/dbraw/zinc/38/74/85/183387485.db2.gz OPMUGZWJABPXOT-UHFFFAOYSA-N 1 1 230.355 2.014 40 0 BEABMO c1ccc(C2(C[N@H+]3CCCNCC3)CC2)cc1 ZINC000096523655 183387487 /nfs/dbraw/zinc/38/74/87/183387487.db2.gz OPMUGZWJABPXOT-UHFFFAOYSA-N 1 1 230.355 2.014 40 0 BEABMO CCC[C@@H](C(=O)OC)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022538681 169346552 /nfs/dbraw/zinc/34/65/52/169346552.db2.gz NPBBRGNFLTWNPV-TUAOUCFPSA-N 1 1 227.348 2.306 40 0 BEABMO CC[N@@H+](CCO)Cc1ccc(Cl)cc1 ZINC000049754176 383824602 /nfs/dbraw/zinc/82/46/02/383824602.db2.gz MNRNYVNQRQJGDY-UHFFFAOYSA-N 1 1 213.708 2.154 40 0 BEABMO Cc1ccsc1C[N@H+](CCO)C(C)C ZINC000079436115 384146491 /nfs/dbraw/zinc/14/64/91/384146491.db2.gz XTNKYEHINVZVRS-UHFFFAOYSA-N 1 1 213.346 2.259 40 0 BEABMO NNc1[nH+]cnc2c3cc(Cl)ccc3[nH]c21 ZINC000408712501 384180839 /nfs/dbraw/zinc/18/08/39/384180839.db2.gz XHSWAXUFPMDYST-UHFFFAOYSA-N 1 1 233.662 2.050 40 0 BEABMO Cc1cc(C)nc([C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000072381406 384217334 /nfs/dbraw/zinc/21/73/34/384217334.db2.gz WKENVASXCFDYSR-LBPRGKRZSA-N 1 1 219.332 2.291 40 0 BEABMO Cc1c[nH]nc1[C@H]1C[N@H+](C2CCCCC2)CCO1 ZINC000072381193 384217524 /nfs/dbraw/zinc/21/75/24/384217524.db2.gz YUBJCCKNWSOKGD-CYBMUJFWSA-N 1 1 249.358 2.424 40 0 BEABMO c1cncc(-c2nc([C@H]3CCCCC[NH2+]3)no2)c1 ZINC000135984837 384478046 /nfs/dbraw/zinc/47/80/46/384478046.db2.gz AABWTTWNMACGSY-LLVKDONJSA-N 1 1 244.298 2.336 40 0 BEABMO CN(C)CC[NH2+]Cc1c(F)cccc1Cl ZINC000019261529 384512501 /nfs/dbraw/zinc/51/25/01/384512501.db2.gz KMDOWMYOLQXOEE-UHFFFAOYSA-N 1 1 230.714 2.130 40 0 BEABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2F)C1 ZINC000082324147 384668450 /nfs/dbraw/zinc/66/84/50/384668450.db2.gz AQSPRKBXNJCRDX-SNVBAGLBSA-N 1 1 236.290 2.106 40 0 BEABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000082306120 384662362 /nfs/dbraw/zinc/66/23/62/384662362.db2.gz KPIJBNIEQKRTLM-TZMCWYRMSA-N 1 1 246.354 2.206 40 0 BEABMO Cc1ccc(CNCCC[NH+](C)C)cc1 ZINC000057322200 384940669 /nfs/dbraw/zinc/94/06/69/384940669.db2.gz PMZYIQVZCOOCPL-UHFFFAOYSA-N 1 1 206.333 2.036 40 0 BEABMO Cc1ccc(C[NH2+]CCCN(C)C)cc1 ZINC000057322200 384940676 /nfs/dbraw/zinc/94/06/76/384940676.db2.gz PMZYIQVZCOOCPL-UHFFFAOYSA-N 1 1 206.333 2.036 40 0 BEABMO CC[N@H+]1CCC[C@@H]1c1cccnc1OC ZINC000072211712 385072409 /nfs/dbraw/zinc/07/24/09/385072409.db2.gz CSSGRURCIRLJAR-LLVKDONJSA-N 1 1 206.289 2.247 40 0 BEABMO CC[N@H+]1CCCC[C@H]1c1ccc[nH]c1=O ZINC000072212323 385076885 /nfs/dbraw/zinc/07/68/85/385076885.db2.gz VGGLQOOUGCRAMY-NSHDSACASA-N 1 1 206.289 2.334 40 0 BEABMO C[N@H+]1CCC[C@H]1c1cccnc1NC1CC1 ZINC000072213704 385083101 /nfs/dbraw/zinc/08/31/01/385083101.db2.gz KXRLVNPPCNWYRB-LBPRGKRZSA-N 1 1 217.316 2.423 40 0 BEABMO CC[N@H+]1CCC[C@@H]1c1ccc(N)nc1C ZINC000072218551 385099975 /nfs/dbraw/zinc/09/99/75/385099975.db2.gz WODJHSIWXJQFLJ-LLVKDONJSA-N 1 1 205.305 2.129 40 0 BEABMO Cc1[nH]c(=S)ccc1[C@H]1CCC[N@@H+]1C ZINC000072218366 385100532 /nfs/dbraw/zinc/10/05/32/385100532.db2.gz SQHFUSWYIIBCTA-SNVBAGLBSA-N 1 1 208.330 2.445 40 0 BEABMO Cc1cc([C@@H]2CCC[N@H+]2C)cnc1N(C)C ZINC000072218605 385102253 /nfs/dbraw/zinc/10/22/53/385102253.db2.gz UNPPCLUUMQTOMA-LBPRGKRZSA-N 1 1 219.332 2.223 40 0 BEABMO CNc1ccc([C@@H]2CCCN2C(C)=O)c(C)[nH+]1 ZINC000072219093 385103058 /nfs/dbraw/zinc/10/30/58/385103058.db2.gz ZYKKKGBUMIXPTK-LBPRGKRZSA-N 1 1 233.315 2.115 40 0 BEABMO Cc1[nH+]c(N(C)C)ccc1[C@@H]1CCCCN1C=O ZINC000072218772 385104647 /nfs/dbraw/zinc/10/46/47/385104647.db2.gz AKRWLFVNDNQUMP-ZDUSSCGKSA-N 1 1 247.342 2.139 40 0 BEABMO CNc1ccc([C@@H]2CCCCN2C=O)c(C)[nH+]1 ZINC000072219132 385105157 /nfs/dbraw/zinc/10/51/57/385105157.db2.gz BYMMPJAQMVAYSY-LBPRGKRZSA-N 1 1 233.315 2.115 40 0 BEABMO [NH3+]Cc1nc2cccc(Br)c2o1 ZINC000062529392 385175593 /nfs/dbraw/zinc/17/55/93/385175593.db2.gz YHKZNUKPPUKPME-UHFFFAOYSA-N 1 1 227.061 2.049 40 0 BEABMO CN(C)[C@@H](CC[NH3+])c1cccc(Cl)c1 ZINC000041226729 385687259 /nfs/dbraw/zinc/68/72/59/385687259.db2.gz WKEJSKGEBMEZJS-NSHDSACASA-N 1 1 212.724 2.292 40 0 BEABMO Cc1c[nH]c([C@@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000257207740 385753350 /nfs/dbraw/zinc/75/33/50/385753350.db2.gz BJAJGLCQKUNPEY-GFCCVEGCSA-N 1 1 249.358 2.077 40 0 BEABMO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2cscn2)C1 ZINC000257247565 385755736 /nfs/dbraw/zinc/75/57/36/385755736.db2.gz IZNGAFXVDWAWEQ-SNVBAGLBSA-N 1 1 248.355 2.164 40 0 BEABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000257247565 385755740 /nfs/dbraw/zinc/75/57/40/385755740.db2.gz IZNGAFXVDWAWEQ-SNVBAGLBSA-N 1 1 248.355 2.164 40 0 BEABMO CC(C)[N@H+]1CCC[C@]1(C)c1ccnc2ccnn21 ZINC000257279970 385758244 /nfs/dbraw/zinc/75/82/44/385758244.db2.gz OIYCKMHRDOZGTN-CQSZACIVSA-N 1 1 244.342 2.449 40 0 BEABMO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1C1CCOCC1 ZINC000257290010 385762115 /nfs/dbraw/zinc/76/21/15/385762115.db2.gz QBCOVGMWZUCPCX-ZDUSSCGKSA-N 1 1 249.358 2.424 40 0 BEABMO Cc1cn[nH]c1[C@@H]1CCCC[N@@H+]1C1CCOCC1 ZINC000257290010 385762120 /nfs/dbraw/zinc/76/21/20/385762120.db2.gz QBCOVGMWZUCPCX-ZDUSSCGKSA-N 1 1 249.358 2.424 40 0 BEABMO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1C1CCOCC1 ZINC000257290010 385762126 /nfs/dbraw/zinc/76/21/26/385762126.db2.gz QBCOVGMWZUCPCX-ZDUSSCGKSA-N 1 1 249.358 2.424 40 0 BEABMO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2cccn2C)C1 ZINC000257319722 385765586 /nfs/dbraw/zinc/76/55/86/385765586.db2.gz VTUMQGKUWMGYLH-LBPRGKRZSA-N 1 1 244.342 2.046 40 0 BEABMO CCC[C@H](C(=O)OC)[N@H+]1CCCC[C@@H]1C ZINC000022538655 385919090 /nfs/dbraw/zinc/91/90/90/385919090.db2.gz XCUSXHHSDBPAFM-WDEREUQCSA-N 1 1 213.321 2.203 40 0 BEABMO CC(C)OCCC[N@@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218831123 386055700 /nfs/dbraw/zinc/05/57/00/386055700.db2.gz SVOFHSOHNPEOPL-ZIAGYGMSSA-N 1 1 240.391 2.018 40 0 BEABMO CC(C)OCCC[N@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218831123 386055707 /nfs/dbraw/zinc/05/57/07/386055707.db2.gz SVOFHSOHNPEOPL-ZIAGYGMSSA-N 1 1 240.391 2.018 40 0 BEABMO CC[N@@H+](CCCCC[NH3+])Cc1ccncc1 ZINC000049580804 386797683 /nfs/dbraw/zinc/79/76/83/386797683.db2.gz RXTZFWYINSIXAG-UHFFFAOYSA-N 1 1 221.348 2.033 40 0 BEABMO C[C@@H]([NH3+])c1nc([C@@H]2CCCSCC2)no1 ZINC000575415020 387023711 /nfs/dbraw/zinc/02/37/11/387023711.db2.gz JKBMUVKUIXMOCV-HTQZYQBOSA-N 1 1 227.333 2.090 40 0 BEABMO C1CC(c2noc([C@@H]3CCCC[NH2+]3)n2)C1 ZINC000083120097 387400404 /nfs/dbraw/zinc/40/04/04/387400404.db2.gz ZFPVBLUCIBUVRG-VIFPVBQESA-N 1 1 207.277 2.152 40 0 BEABMO c1cnc2[nH]c([C@H]3CC[N@H+](C4CCC4)C3)nc2c1 ZINC000035442892 387760021 /nfs/dbraw/zinc/76/00/21/387760021.db2.gz XONIZWQHVCVEED-JTQLQIEISA-N 1 1 242.326 2.300 40 0 biogenic,in-vitro BEABMO CC(C)(O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000004203902 387850241 /nfs/dbraw/zinc/85/02/41/387850241.db2.gz BESBVPBWOJMGFI-ZDUSSCGKSA-N 1 1 219.328 2.279 40 0 BEABMO CCCCC[N@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000218828033 388393021 /nfs/dbraw/zinc/39/30/21/388393021.db2.gz VUAWENVOQGLHJL-QWHCGFSZSA-N 1 1 210.365 2.393 40 0 BEABMO CCCCCN1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000218828033 388393024 /nfs/dbraw/zinc/39/30/24/388393024.db2.gz VUAWENVOQGLHJL-QWHCGFSZSA-N 1 1 210.365 2.393 40 0 BEABMO CCCCC[N@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225711532 388840376 /nfs/dbraw/zinc/84/03/76/388840376.db2.gz VUAWENVOQGLHJL-OLZOCXBDSA-N 1 1 210.365 2.393 40 0 BEABMO CCCCCN1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225711532 388840379 /nfs/dbraw/zinc/84/03/79/388840379.db2.gz VUAWENVOQGLHJL-OLZOCXBDSA-N 1 1 210.365 2.393 40 0 BEABMO Cc1c[nH]nc1[C@H]1CCC[N@H+](C(C)C)C1 ZINC000072356957 177681076 /nfs/dbraw/zinc/68/10/76/177681076.db2.gz YRSLKFVOADAWLC-NSHDSACASA-N 1 1 207.321 2.306 40 0 BEABMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CC(N)(C(F)(F)F)C2 ZINC000096528064 167035382 /nfs/dbraw/zinc/03/53/82/167035382.db2.gz UWSROLMXPJISLZ-ULKQDVFKSA-N 1 1 236.281 2.281 40 0 BEABMO CN(C)[C@@H]1[C@H]([NH+](C)C)[C@]2(C)CC[C@H]1C2(C)C ZINC000245241065 411384374 /nfs/dbraw/zinc/38/43/74/411384374.db2.gz WWHMPEUSLLXFGZ-UHXUPSOCSA-N 1 1 224.392 2.303 40 0 BEABMO CC[N@H+]1CC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000072361096 170014404 /nfs/dbraw/zinc/01/44/04/170014404.db2.gz IHFWMDLQHPJENV-LLVKDONJSA-N 1 1 215.300 2.372 40 0 BEABMO CCn1cc(C[NH2+]Cc2ccco2)c(C)n1 ZINC000020351216 172172159 /nfs/dbraw/zinc/17/21/59/172172159.db2.gz CSRZNRHCUZEJDA-UHFFFAOYSA-N 1 1 219.288 2.094 40 0 BEABMO C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000049155369 173059155 /nfs/dbraw/zinc/05/91/55/173059155.db2.gz QTOWBYXJSJZEJQ-JTQLQIEISA-N 1 1 248.261 2.037 40 0 biogenic,in-vitro BEABMO C[N@H+]1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000049155369 173059158 /nfs/dbraw/zinc/05/91/58/173059158.db2.gz QTOWBYXJSJZEJQ-JTQLQIEISA-N 1 1 248.261 2.037 40 0 biogenic,in-vitro BEABMO C[N@H+]1CCC[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096215217 173061275 /nfs/dbraw/zinc/06/12/75/173061275.db2.gz SKEBJGKZJGRVFH-AWEZNQCLSA-N 1 1 234.343 2.197 40 0 BEABMO C[NH+]1CCN(CCSc2ccccc2)CC1 ZINC000022593690 173081601 /nfs/dbraw/zinc/08/16/01/173081601.db2.gz HSZPYOIGRMEUKI-UHFFFAOYSA-N 1 1 236.384 2.026 40 0 BEABMO C[N@H+]1CCc2nc(Cl)c(Cl)cc2C1 ZINC000096511323 173174367 /nfs/dbraw/zinc/17/43/67/173174367.db2.gz XTVNPKLYMKWSFQ-UHFFFAOYSA-N 1 1 217.099 2.376 40 0 BEABMO C[N@@H+]1[C@@H]2CCC[C@H]1CC(OC(=O)c1ccco1)C2 ZINC000000526637 173205514 /nfs/dbraw/zinc/20/55/14/173205514.db2.gz GGHICGWVZFRCPF-FOSCPWQOSA-N 1 1 249.310 2.452 40 0 BEABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccccc1)C2 ZINC000000271983 173205919 /nfs/dbraw/zinc/20/59/19/173205919.db2.gz XQJMXPAEFMWDOZ-PBWFPOADSA-N 1 1 245.322 2.469 40 0 biogenic,in-vitro BEABMO C[N@H+]1[C@@H]2CC[C@H]1Cc1sc(C=O)cc12 ZINC000096510411 173206543 /nfs/dbraw/zinc/20/65/43/173206543.db2.gz OMTQBRDPPGWNJD-OIBJUYFYSA-N 1 1 207.298 2.252 40 0 BEABMO C[N@@H+]1[C@@H]2CC[C@H]1Cc1sc(C=O)cc12 ZINC000096510411 173206544 /nfs/dbraw/zinc/20/65/44/173206544.db2.gz OMTQBRDPPGWNJD-OIBJUYFYSA-N 1 1 207.298 2.252 40 0 BEABMO CNC(=O)N1CCCCC[NH+]=C1c1ccccc1 ZINC000035682867 173284701 /nfs/dbraw/zinc/28/47/01/173284701.db2.gz XGOKQZMYHPWWKB-UHFFFAOYSA-N 1 1 245.326 2.259 40 0 BEABMO COc1ccc(-c2n[nH]c([C@@H]([NH3+])C(C)C)n2)cc1 ZINC000095534704 175039753 /nfs/dbraw/zinc/03/97/53/175039753.db2.gz BUMDASOMVPGRGW-NSHDSACASA-N 1 1 246.314 2.136 40 0 BEABMO COc1ccc([C@@H]2C[C@@H]3CC[C@H]([C@@H]2O)[N@H+]3C)cc1 ZINC000005496303 175185532 /nfs/dbraw/zinc/18/55/32/175185532.db2.gz IZCIXCQYMYMPDS-SPWCGHHHSA-N 1 1 247.338 2.006 40 0 BEABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C(C)(C)C)C1 ZINC000046958643 176098145 /nfs/dbraw/zinc/09/81/45/176098145.db2.gz MPVQRFXOJFBXPC-GFCCVEGCSA-N 1 1 240.391 2.271 40 0 BEABMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCO ZINC000062016047 177036665 /nfs/dbraw/zinc/03/66/65/177036665.db2.gz AKQGXOAWWQTUCZ-SECBINFHSA-N 1 1 213.708 2.325 40 0 BEABMO C[C@H]1CCC[N@@H+](CCCNC(=O)C(C)(C)C)C1 ZINC000046958645 177098745 /nfs/dbraw/zinc/09/87/45/177098745.db2.gz MPVQRFXOJFBXPC-LBPRGKRZSA-N 1 1 240.391 2.271 40 0 BEABMO CCNc1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000039039605 323090870 /nfs/dbraw/zinc/09/08/70/323090870.db2.gz AIVCGSKEACPYBS-NSHDSACASA-N 1 1 205.305 2.280 40 0 BEABMO C[N@H+]1CCC[C@@H]1C[C@@H]1CNc2cccc(O)c21 ZINC000214474704 1167037695 /nfs/dbraw/zinc/03/76/95/1167037695.db2.gz IEZDBJGTSJCFTD-GHMZBOCLSA-N 1 1 232.327 2.386 40 0 BEABMO C[N@H+]1CC[C@H]2CN3CCc4cccc(c43)[C@H]2C1 ZINC000002581413 978602638 /nfs/dbraw/zinc/60/26/38/978602638.db2.gz YASBOGFWAMXINH-JSGCOSHPSA-N 1 1 228.339 2.098 40 0 BEABMO Cn1cc(-c2cc(N)c3ccccc3[nH+]2)cn1 ZINC001548919461 988856496 /nfs/dbraw/zinc/85/64/96/988856496.db2.gz XTCPJFBNSORQFO-UHFFFAOYSA-N 1 1 224.267 2.218 40 0 BEABMO Cc1cc(C[N@@H+]2CC[C@H](c3n[nH]cc3C)C2)no1 ZINC000257295212 178003735 /nfs/dbraw/zinc/00/37/35/178003735.db2.gz QXLFHBWDOBYAGN-NSHDSACASA-N 1 1 246.314 2.004 40 0 BEABMO Cc1cc(C[N@H+]2CC[C@H](c3n[nH]cc3C)C2)no1 ZINC000257295212 178003738 /nfs/dbraw/zinc/00/37/38/178003738.db2.gz QXLFHBWDOBYAGN-NSHDSACASA-N 1 1 246.314 2.004 40 0 BEABMO Cc1cc(N(C)c2ccccc2)nc(N)[nH+]1 ZINC000001679719 178101893 /nfs/dbraw/zinc/10/18/93/178101893.db2.gz RCBOYLZEXPANRT-UHFFFAOYSA-N 1 1 214.272 2.135 40 0 BEABMO Cc1ccc(-c2nnc([C@H]3CC[N@H+](C)C3)o2)cc1 ZINC000049169914 178342718 /nfs/dbraw/zinc/34/27/18/178342718.db2.gz FXIDQVKLBPVKSZ-LBPRGKRZSA-N 1 1 243.310 2.464 40 0 biogenic,in-vitro BEABMO CC(C)C(=O)OCC[N@@H+](C)CCc1ccccc1 ZINC000001676420 342708291 /nfs/dbraw/zinc/70/82/91/342708291.db2.gz ADVIDGRTGZVHRZ-UHFFFAOYSA-N 1 1 249.354 2.360 40 0 BEABMO Cc1cc2[nH]c(N)[nH+]c2c(Br)c1 ZINC000072219699 259318670 /nfs/dbraw/zinc/31/86/70/259318670.db2.gz WZZPUOPKGUUPGQ-UHFFFAOYSA-N 1 1 226.077 2.216 40 0 BEABMO COc1cc(C)c([C@@H]2CCC[N@H+]2C)cn1 ZINC000072218001 259318332 /nfs/dbraw/zinc/31/83/32/259318332.db2.gz XYSUJOPFMVEKHG-NSHDSACASA-N 1 1 206.289 2.165 40 0 BEABMO Cc1ccc(CN[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000218854719 398328799 /nfs/dbraw/zinc/32/87/99/398328799.db2.gz ONBQDJOJQCEANE-ZIAGYGMSSA-N 1 1 218.344 2.355 40 0 BEABMO Cc1ccc(C[N@@H+]2CCN[C@@H]3CCC[C@H]32)cc1 ZINC000218841184 398328932 /nfs/dbraw/zinc/32/89/32/398328932.db2.gz SEBNHSQPYQEASB-HUUCEWRRSA-N 1 1 230.355 2.321 40 0 BEABMO Cc1ccc(C[N@H+]2CCN[C@@H]3CCC[C@H]32)cc1 ZINC000218841184 398328933 /nfs/dbraw/zinc/32/89/33/398328933.db2.gz SEBNHSQPYQEASB-HUUCEWRRSA-N 1 1 230.355 2.321 40 0 BEABMO CCCC[C@@]([NH3+])(C(=O)OC)c1ccccc1 ZINC000021299083 343009357 /nfs/dbraw/zinc/00/93/57/343009357.db2.gz GTGCPCXBADEBNA-ZDUSSCGKSA-N 1 1 221.300 2.204 40 0 BEABMO CCCC[C@@]([NH3+])(Cc1ccccc1)C(=O)OC ZINC000022114015 343040059 /nfs/dbraw/zinc/04/00/59/343040059.db2.gz MTNJHLZOCXMYHU-CQSZACIVSA-N 1 1 235.327 2.290 40 0 BEABMO C[N@H+](CCO)Cc1ccc(Cl)cc1Cl ZINC000049633343 343604886 /nfs/dbraw/zinc/60/48/86/343604886.db2.gz PRLAHSRXYWJOBY-UHFFFAOYSA-N 1 1 234.126 2.418 40 0 BEABMO C[N@@H+](CCO)Cc1ccc(Cl)cc1Cl ZINC000049633343 343604887 /nfs/dbraw/zinc/60/48/87/343604887.db2.gz PRLAHSRXYWJOBY-UHFFFAOYSA-N 1 1 234.126 2.418 40 0 BEABMO Cc1ccc(CN2CCC([NH3+])CC2)c(C)c1 ZINC000034958710 344327095 /nfs/dbraw/zinc/32/70/95/344327095.db2.gz XIZHKCDJOLTMAM-UHFFFAOYSA-N 1 1 218.344 2.227 40 0 BEABMO Cc1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000072397541 179084137 /nfs/dbraw/zinc/08/41/37/179084137.db2.gz SAMMNJWOFUJVTN-UKRRQHHQSA-N 1 1 245.370 2.059 40 0 BEABMO Cc1ccc2nc(CC3CC[NH2+]CC3)[nH]c2c1 ZINC000015423956 347112352 /nfs/dbraw/zinc/11/23/52/347112352.db2.gz RCMPOZKCQBGFTC-UHFFFAOYSA-N 1 1 229.327 2.413 40 0 BEABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C(C)C ZINC000201635893 347913441 /nfs/dbraw/zinc/91/34/41/347913441.db2.gz QSTANHPGFFZQMJ-CYBMUJFWSA-N 1 1 240.391 2.413 40 0 BEABMO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCN ZINC000032553278 179327839 /nfs/dbraw/zinc/32/78/39/179327839.db2.gz CEDPLZOCGRVWOY-ZDUSSCGKSA-N 1 1 204.317 2.091 40 0 BEABMO Cc1ccccc1[C@@H]1CCC[N@H+]1CCN ZINC000032553278 179327841 /nfs/dbraw/zinc/32/78/41/179327841.db2.gz CEDPLZOCGRVWOY-ZDUSSCGKSA-N 1 1 204.317 2.091 40 0 BEABMO Cc1ccccc1[C@H]1CCC[N@@H+]1CCN ZINC000032553279 179346774 /nfs/dbraw/zinc/34/67/74/179346774.db2.gz CEDPLZOCGRVWOY-CYBMUJFWSA-N 1 1 204.317 2.091 40 0 BEABMO Cc1ccccc1[C@H]1CCC[N@H+]1CCN ZINC000032553279 179346775 /nfs/dbraw/zinc/34/67/75/179346775.db2.gz CEDPLZOCGRVWOY-CYBMUJFWSA-N 1 1 204.317 2.091 40 0 BEABMO CCc1ccc(C(=O)[C@@H](C)[NH+](C)C)cc1 ZINC000037333658 348339918 /nfs/dbraw/zinc/33/99/18/348339918.db2.gz IJXRTMSYZBTQFS-SNVBAGLBSA-N 1 1 205.301 2.382 40 0 in-vitro BEABMO CC(C)[N@H+]1CCCC[C@@H]1c1cc(CCO)on1 ZINC000205700381 348578080 /nfs/dbraw/zinc/57/80/80/348578080.db2.gz FWWLZOMDFQOGFL-CYBMUJFWSA-N 1 1 238.331 2.145 40 0 BEABMO C[N@H+]1CCC[C@H](c2cccc(-c3cc[nH]n3)n2)C1 ZINC000205694962 348576130 /nfs/dbraw/zinc/57/61/30/348576130.db2.gz YWBSZFBKDGRRAW-NSHDSACASA-N 1 1 242.326 2.281 40 0 BEABMO Cc1cc(C[N@H+]2CCC[C@@H](O)C2)ccc1F ZINC000038539678 348703485 /nfs/dbraw/zinc/70/34/85/348703485.db2.gz YJWLUQOXVQSXQM-GFCCVEGCSA-N 1 1 223.291 2.091 40 0 BEABMO Cc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1C ZINC000038539653 348703497 /nfs/dbraw/zinc/70/34/97/348703497.db2.gz QOJZFWVYXIRUNL-AWEZNQCLSA-N 1 1 219.328 2.260 40 0 BEABMO Cc1cc(C[N@H+]2CCC[C@H](O)C2)ccc1F ZINC000038539686 348704004 /nfs/dbraw/zinc/70/40/04/348704004.db2.gz YJWLUQOXVQSXQM-LBPRGKRZSA-N 1 1 223.291 2.091 40 0 BEABMO Cc1nc([C@@H]2CCC[N@H+]2C2CCCC2)cc(=O)[nH]1 ZINC000072356826 180045990 /nfs/dbraw/zinc/04/59/90/180045990.db2.gz BAOISJKRASXGEE-ZDUSSCGKSA-N 1 1 247.342 2.158 40 0 BEABMO Cc1nc([C@H]2CC[N@H+](C)C2)c2sccn12 ZINC000257327374 180056976 /nfs/dbraw/zinc/05/69/76/180056976.db2.gz XBBYBNKRGXZTQM-VIFPVBQESA-N 1 1 221.329 2.123 40 0 BEABMO Cc1nccc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072348352 180206984 /nfs/dbraw/zinc/20/69/84/180206984.db2.gz DUAHZOXHCXGCGS-GFCCVEGCSA-N 1 1 219.332 2.373 40 0 BEABMO CC(C)=CCC[C@@H](C)CN1CC[NH2+]CC1 ZINC000096024391 187456486 /nfs/dbraw/zinc/45/64/86/187456486.db2.gz JASACXKTGGBKTB-CYBMUJFWSA-N 1 1 210.365 2.274 40 0 BEABMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(C)o3)C2)o1 ZINC000049169220 358062848 /nfs/dbraw/zinc/06/28/48/358062848.db2.gz JWJBTMNFXARLGB-NSHDSACASA-N 1 1 247.298 2.269 40 0 biogenic,in-vitro BEABMO CC(C)C[N@H+]1CC[C@H](c2nc3cccnc3[nH]2)C1 ZINC000049168804 358063036 /nfs/dbraw/zinc/06/30/36/358063036.db2.gz GQYGZWCYWUYYCS-NSHDSACASA-N 1 1 244.342 2.403 40 0 biogenic,in-vitro BEABMO NC1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000096029461 181334077 /nfs/dbraw/zinc/33/40/77/181334077.db2.gz HBJVTJRZTBYOLA-UHFFFAOYSA-N 1 1 244.260 2.243 40 0 BEABMO CC[N@H+]1CCC[C@@H]1c1cccnc1N(C)C ZINC000072212647 259526643 /nfs/dbraw/zinc/52/66/43/259526643.db2.gz PKMRIPPCDMBKPJ-GFCCVEGCSA-N 1 1 219.332 2.304 40 0 BEABMO CCCCc1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000057340786 169030100 /nfs/dbraw/zinc/03/01/00/169030100.db2.gz UPRFINMMMJAVGA-VIFPVBQESA-N 1 1 209.293 2.227 40 0 BEABMO CCC[N@@H+](C)C[C@H]1Cc2ccccc2N1 ZINC000087655863 169077779 /nfs/dbraw/zinc/07/77/79/169077779.db2.gz LAIZUVWRYCXFGQ-GFCCVEGCSA-N 1 1 204.317 2.365 40 0 BEABMO O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000096311764 183238890 /nfs/dbraw/zinc/23/88/90/183238890.db2.gz ZAYOZGMHAWPBQH-JTQLQIEISA-N 1 1 229.682 2.046 40 0 BEABMO O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000096311764 183238893 /nfs/dbraw/zinc/23/88/93/183238893.db2.gz ZAYOZGMHAWPBQH-JTQLQIEISA-N 1 1 229.682 2.046 40 0 BEABMO O[C@H]1CCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000038539559 183235351 /nfs/dbraw/zinc/23/53/51/183235351.db2.gz OALCIZQBRSMABU-JTQLQIEISA-N 1 1 243.709 2.436 40 0 BEABMO O[C@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000038539559 183235352 /nfs/dbraw/zinc/23/53/52/183235352.db2.gz OALCIZQBRSMABU-JTQLQIEISA-N 1 1 243.709 2.436 40 0 BEABMO c1cnc([C@H]2CCC[N@H+]2Cc2ccncc2)cn1 ZINC000072357071 183343269 /nfs/dbraw/zinc/34/32/69/183343269.db2.gz HCGBSLBEEZWPGV-CQSZACIVSA-N 1 1 240.310 2.209 40 0 BEABMO c1cnc([C@H]2CCC[N@@H+]2Cc2ccncc2)cn1 ZINC000072357071 183343271 /nfs/dbraw/zinc/34/32/71/183343271.db2.gz HCGBSLBEEZWPGV-CQSZACIVSA-N 1 1 240.310 2.209 40 0 BEABMO CCC[N@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2C ZINC000257224778 169208173 /nfs/dbraw/zinc/20/81/73/169208173.db2.gz FDHQYJBJTRERED-TZMCWYRMSA-N 1 1 238.375 2.262 40 0 BEABMO c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n[nH]1 ZINC000072187691 183398939 /nfs/dbraw/zinc/39/89/39/183398939.db2.gz OKLKRMMFDLHIAK-LBPRGKRZSA-N 1 1 242.326 2.184 40 0 BEABMO c1ccc(C[N@@H+]2CCNCC23CCC3)cc1 ZINC000306145478 183399349 /nfs/dbraw/zinc/39/93/49/183399349.db2.gz GMZDFNQLRIRIFI-UHFFFAOYSA-N 1 1 216.328 2.015 40 0 BEABMO c1ccc(C[N@H+]2CCNCC23CCC3)cc1 ZINC000306145478 183399353 /nfs/dbraw/zinc/39/93/53/183399353.db2.gz GMZDFNQLRIRIFI-UHFFFAOYSA-N 1 1 216.328 2.015 40 0 BEABMO CCC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C)C1 ZINC000022538666 169346271 /nfs/dbraw/zinc/34/62/71/169346271.db2.gz KXYNBVINDFDWQW-MNOVXSKESA-N 1 1 213.321 2.060 40 0 BEABMO CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cccc(F)c1 ZINC000054967581 166672585 /nfs/dbraw/zinc/67/25/85/166672585.db2.gz FNGZHCKWHLJNHR-NSHDSACASA-N 1 1 239.290 2.037 40 0 BEABMO CC[N@@H+](CCO)Cc1ccccc1Cl ZINC000049754195 383823320 /nfs/dbraw/zinc/82/33/20/383823320.db2.gz SNOZDHFIGBDYME-UHFFFAOYSA-N 1 1 213.708 2.154 40 0 BEABMO CC(C)[N@@H+](CCO)Cc1ccccc1F ZINC000049801966 383824853 /nfs/dbraw/zinc/82/48/53/383824853.db2.gz DGHSBLOJBPHHLJ-UHFFFAOYSA-N 1 1 211.280 2.028 40 0 BEABMO c1csc([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000092788693 384193852 /nfs/dbraw/zinc/19/38/52/384193852.db2.gz ILFCFRFSNVJHKM-JTQLQIEISA-N 1 1 248.355 2.246 40 0 BEABMO c1csc([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000092788693 384193858 /nfs/dbraw/zinc/19/38/58/384193858.db2.gz ILFCFRFSNVJHKM-JTQLQIEISA-N 1 1 248.355 2.246 40 0 BEABMO c1csc([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000092788693 384193860 /nfs/dbraw/zinc/19/38/60/384193860.db2.gz ILFCFRFSNVJHKM-JTQLQIEISA-N 1 1 248.355 2.246 40 0 BEABMO c1csc([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000092788693 384193863 /nfs/dbraw/zinc/19/38/63/384193863.db2.gz ILFCFRFSNVJHKM-JTQLQIEISA-N 1 1 248.355 2.246 40 0 BEABMO CC(C)[N@H+]1CCC[C@@H](c2cncc(N(C)C)n2)C1 ZINC000072348468 384211969 /nfs/dbraw/zinc/21/19/69/384211969.db2.gz LXKPACIODVKUTE-GFCCVEGCSA-N 1 1 248.374 2.130 40 0 BEABMO CC(C)(C)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000072361188 384214387 /nfs/dbraw/zinc/21/43/87/384214387.db2.gz GHDVTILPRXTRDS-LLVKDONJSA-N 1 1 248.374 2.284 40 0 BEABMO Cc1cncnc1[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000072361348 384214455 /nfs/dbraw/zinc/21/44/55/384214455.db2.gz CLSYORIRJMMJNO-ZDUSSCGKSA-N 1 1 231.343 2.374 40 0 BEABMO Cc1c[nH]nc1[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000072381924 384216467 /nfs/dbraw/zinc/21/64/67/384216467.db2.gz VPFCUMNUBKIIQW-GFCCVEGCSA-N 1 1 249.358 2.077 40 0 BEABMO C1C[C@]2(CCC[NH2+]C2)[N@H+]1C1CCCCC1 ZINC000096050989 384428899 /nfs/dbraw/zinc/42/88/99/384428899.db2.gz ZJZXNJHRYRWZSY-ZDUSSCGKSA-N 1 1 208.349 2.147 40 0 BEABMO C1C[C@]2(CCC[NH2+]C2)N1C1CCCCC1 ZINC000096050989 384428904 /nfs/dbraw/zinc/42/89/04/384428904.db2.gz ZJZXNJHRYRWZSY-ZDUSSCGKSA-N 1 1 208.349 2.147 40 0 BEABMO COc1ccc(C[C@H]2C[N@H+](C)CC[C@@H]2OC)cc1 ZINC000096110579 384433235 /nfs/dbraw/zinc/43/32/35/384433235.db2.gz JTUOXRAFRPPPHU-ZFWWWQNUSA-N 1 1 249.354 2.204 40 0 BEABMO C[C@](C[NH3+])(c1cccs1)N1CCCC1 ZINC000070453216 384563776 /nfs/dbraw/zinc/56/37/76/384563776.db2.gz MFDGROLEJWSDAG-NSHDSACASA-N 1 1 210.346 2.018 40 0 BEABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000082306123 384662951 /nfs/dbraw/zinc/66/29/51/384662951.db2.gz KPIJBNIEQKRTLM-OCCSQVGLSA-N 1 1 246.354 2.206 40 0 BEABMO CCn1nc(N)cc1C[N@@H+](C)C1CCCCC1 ZINC000408717247 384704231 /nfs/dbraw/zinc/70/42/31/384704231.db2.gz XKCISUPUONGMHW-UHFFFAOYSA-N 1 1 236.363 2.080 40 0 BEABMO c1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000103618655 384782526 /nfs/dbraw/zinc/78/25/26/384782526.db2.gz MBORLOMNPQQJJD-WDNDVIMCSA-N 1 1 216.328 2.059 40 0 BEABMO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000038844835 384883374 /nfs/dbraw/zinc/88/33/74/384883374.db2.gz FWPBWDMKQQRHHZ-BETUJISGSA-N 1 1 203.285 2.050 40 0 BEABMO c1coc([C@H]2[NH2+]CCc3nc4ccccc4n32)c1 ZINC000019772819 385040793 /nfs/dbraw/zinc/04/07/93/385040793.db2.gz JHYAZRFZZUVECP-AWEZNQCLSA-N 1 1 239.278 2.322 40 0 BEABMO COc1cccc(OC)c1[C@@H]1CCC[N@H+]1C ZINC000072221406 385108253 /nfs/dbraw/zinc/10/82/53/385108253.db2.gz USACXLUEJHRHBS-JTQLQIEISA-N 1 1 221.300 2.471 40 0 BEABMO CC[C@@H](O)c1ccc(N(C)CC)[nH+]c1C ZINC000072224280 385115636 /nfs/dbraw/zinc/11/56/36/385115636.db2.gz LGWPPWGQSSMPAY-LLVKDONJSA-N 1 1 208.305 2.290 40 0 BEABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000072227333 385123346 /nfs/dbraw/zinc/12/33/46/385123346.db2.gz AAZUWUNMNWDQID-KGLIPLIRSA-N 1 1 238.290 2.102 40 0 BEABMO COc1ncc([C@@H]2CCC[N@H+]2C)cc1C ZINC000072217706 385091406 /nfs/dbraw/zinc/09/14/06/385091406.db2.gz NPDBNJLQYSNVAY-NSHDSACASA-N 1 1 206.289 2.165 40 0 BEABMO Cc1cc(N(C)C)ncc1[C@@H]1CCC[N@H+]1C ZINC000072218665 385100027 /nfs/dbraw/zinc/10/00/27/385100027.db2.gz FEHBFAWECJCHDF-LBPRGKRZSA-N 1 1 219.332 2.223 40 0 BEABMO CSCC[C@@H]([NH3+])CN1CCCCCCC1 ZINC000096523844 385266799 /nfs/dbraw/zinc/26/67/99/385266799.db2.gz OTTDUIMUPJHQDD-GFCCVEGCSA-N 1 1 230.421 2.333 40 0 BEABMO CSCC[C@@H](N)C[NH+]1CCCCCCC1 ZINC000096523844 385266805 /nfs/dbraw/zinc/26/68/05/385266805.db2.gz OTTDUIMUPJHQDD-GFCCVEGCSA-N 1 1 230.421 2.333 40 0 BEABMO CN(C)CC[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000020273986 385514680 /nfs/dbraw/zinc/51/46/80/385514680.db2.gz BHCWWKIOLOCHRY-NSHDSACASA-N 1 1 212.724 2.292 40 0 BEABMO CCCC[NH+](CCCC)C[C@H](O)CNC1CC1 ZINC000036950610 385591232 /nfs/dbraw/zinc/59/12/32/385591232.db2.gz IGUARSSBUVHWKR-CQSZACIVSA-N 1 1 242.407 2.002 40 0 BEABMO COc1c(C)cc(-c2noc([C@@H](C)[NH3+])n2)cc1C ZINC000075808090 385653675 /nfs/dbraw/zinc/65/36/75/385653675.db2.gz LZCLXNKVBKGWFB-SECBINFHSA-N 1 1 247.298 2.382 40 0 BEABMO C[N@H+]1CCC[C@@H](Cc2cncc(Cl)n2)CC1 ZINC000257240828 385754955 /nfs/dbraw/zinc/75/49/55/385754955.db2.gz HVINYWYRAUYZGI-SNVBAGLBSA-N 1 1 239.750 2.404 40 0 BEABMO C[C@]12CC[N@H+](C3CCCCC3)[C@H]1CCC(=O)N2 ZINC000257322218 385765399 /nfs/dbraw/zinc/76/53/99/385765399.db2.gz WFBDOUWWAFCJIJ-JSGCOSHPSA-N 1 1 236.359 2.062 40 0 BEABMO COc1ccc([C@@H](CN)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000216076767 388352249 /nfs/dbraw/zinc/35/22/49/388352249.db2.gz JQNIKZXOVAYJTM-IUODEOHRSA-N 1 1 248.370 2.427 40 0 BEABMO COc1ccc([C@@H](CN)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000216076767 388352250 /nfs/dbraw/zinc/35/22/50/388352250.db2.gz JQNIKZXOVAYJTM-IUODEOHRSA-N 1 1 248.370 2.427 40 0 BEABMO CCc1ccccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000038539482 388373723 /nfs/dbraw/zinc/37/37/23/388373723.db2.gz WWNBECQYYGDTBG-CQSZACIVSA-N 1 1 219.328 2.206 40 0 BEABMO [NH3+][C@H](c1nnc(C2CC2)[nH]1)c1ccc(Cl)cc1 ZINC000095534016 388776553 /nfs/dbraw/zinc/77/65/53/388776553.db2.gz VUCUGCVOYAGKOS-JTQLQIEISA-N 1 1 248.717 2.384 40 0 BEABMO Cc1ccc([C@H]([NH3+])c2nnc(C3CC3)[nH]2)cc1 ZINC000095534158 388776965 /nfs/dbraw/zinc/77/69/65/388776965.db2.gz LPWRYHGMTDCUDU-NSHDSACASA-N 1 1 228.299 2.039 40 0 BEABMO CC(C)Cc1nnc([C@H]([NH3+])c2ccc(F)cc2)[nH]1 ZINC000095533340 388777745 /nfs/dbraw/zinc/77/77/45/388777745.db2.gz CUOPOOKPMSQHTL-GFCCVEGCSA-N 1 1 248.305 2.190 40 0 BEABMO Cc1ccc([C@H]([NH3+])c2nnc(C(C)C)[nH]2)cc1 ZINC000095534078 388777764 /nfs/dbraw/zinc/77/77/64/388777764.db2.gz KEVOJVWUNFWRQU-NSHDSACASA-N 1 1 230.315 2.285 40 0 BEABMO Cc1ccc(C[N@@H+]2CCN[C@H]3CCC[C@@H]32)cc1 ZINC000225715594 388826480 /nfs/dbraw/zinc/82/64/80/388826480.db2.gz SEBNHSQPYQEASB-GJZGRUSLSA-N 1 1 230.355 2.321 40 0 BEABMO Cc1ccc(C[N@H+]2CCN[C@H]3CCC[C@@H]32)cc1 ZINC000225715594 388826482 /nfs/dbraw/zinc/82/64/82/388826482.db2.gz SEBNHSQPYQEASB-GJZGRUSLSA-N 1 1 230.355 2.321 40 0 BEABMO COc1cccc([C@@H](CN)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000022222375 388827730 /nfs/dbraw/zinc/82/77/30/388827730.db2.gz AEZAJJACDUCXGH-IUODEOHRSA-N 1 1 248.370 2.427 40 0 BEABMO COc1cccc([C@@H](CN)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000022222375 388827735 /nfs/dbraw/zinc/82/77/35/388827735.db2.gz AEZAJJACDUCXGH-IUODEOHRSA-N 1 1 248.370 2.427 40 0 BEABMO CCCCC[N@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000225711562 388840836 /nfs/dbraw/zinc/84/08/36/388840836.db2.gz VUAWENVOQGLHJL-STQMWFEESA-N 1 1 210.365 2.393 40 0 BEABMO CCCCCN1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000225711562 388840840 /nfs/dbraw/zinc/84/08/40/388840840.db2.gz VUAWENVOQGLHJL-STQMWFEESA-N 1 1 210.365 2.393 40 0 BEABMO c1csc(CC[N@@H+]2CCN[C@@H]3CCC[C@@H]32)c1 ZINC000225716127 388840920 /nfs/dbraw/zinc/84/09/20/388840920.db2.gz QAUPJZQIGTZSKP-OLZOCXBDSA-N 1 1 236.384 2.117 40 0 BEABMO c1csc(CC[N@H+]2CCN[C@@H]3CCC[C@@H]32)c1 ZINC000225716127 388840923 /nfs/dbraw/zinc/84/09/23/388840923.db2.gz QAUPJZQIGTZSKP-OLZOCXBDSA-N 1 1 236.384 2.117 40 0 BEABMO Cc1cc(N2CC[NH2+]CC2)c2cc(F)ccc2n1 ZINC000032500256 132295117 /nfs/dbraw/zinc/29/51/17/132295117.db2.gz GAKAFZDNVSYHHC-UHFFFAOYSA-N 1 1 245.301 2.092 40 0 BEABMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000408729184 133448434 /nfs/dbraw/zinc/44/84/34/133448434.db2.gz BDFAQKYUIBPFQG-CYBMUJFWSA-N 1 1 218.344 2.465 40 0 BEABMO CC[N@H+]1CCN[C@H](c2ccccc2)C1(C)C ZINC000039102017 170000022 /nfs/dbraw/zinc/00/00/22/170000022.db2.gz DLWQVUKPXRXNAM-CYBMUJFWSA-N 1 1 218.344 2.431 40 0 BEABMO CCN1CC[NH2+][C@H](c2ccccc2)C1(C)C ZINC000039102017 170000023 /nfs/dbraw/zinc/00/00/23/170000023.db2.gz DLWQVUKPXRXNAM-CYBMUJFWSA-N 1 1 218.344 2.431 40 0 BEABMO CCn1cc(CNc2[nH+]cccc2C)cn1 ZINC000072226607 172177430 /nfs/dbraw/zinc/17/74/30/172177430.db2.gz GAPULCDPAQXZOS-UHFFFAOYSA-N 1 1 216.288 2.219 40 0 BEABMO CCn1ncc(C[NH2+]Cc2ccccc2)c1F ZINC000256055269 172255043 /nfs/dbraw/zinc/25/50/43/172255043.db2.gz ZZYPAZBNISQLCM-UHFFFAOYSA-N 1 1 233.290 2.332 40 0 BEABMO C[N@H+]1CCC[C@@H]1c1nccnc1-c1cccnc1 ZINC000072386810 173037141 /nfs/dbraw/zinc/03/71/41/173037141.db2.gz GDRXEGFFTQQORY-GFCCVEGCSA-N 1 1 240.310 2.305 40 0 BEABMO C[N@H+]1CCC[C@H](C(=O)Nc2cccc(F)c2)C1 ZINC000082335691 173039401 /nfs/dbraw/zinc/03/94/01/173039401.db2.gz FZOPBHRKSYXATC-JTQLQIEISA-N 1 1 236.290 2.106 40 0 BEABMO C[N@H+]1CCC[C@H](Cc2nccnc2Cl)CC1 ZINC000072343824 173043032 /nfs/dbraw/zinc/04/30/32/173043032.db2.gz VYLMKMITNSQVIS-JTQLQIEISA-N 1 1 239.750 2.404 40 0 BEABMO C[N@H+]1CCC[C@H]1c1nccnc1-c1cccnc1 ZINC000072386811 173059537 /nfs/dbraw/zinc/05/95/37/173059537.db2.gz GDRXEGFFTQQORY-LBPRGKRZSA-N 1 1 240.310 2.305 40 0 BEABMO C[N@H+]1CCC[C@]12CCCN(Cc1ccco1)C2 ZINC000096214679 173061817 /nfs/dbraw/zinc/06/18/17/173061817.db2.gz ZQJVTRPCCHAGGU-CQSZACIVSA-N 1 1 234.343 2.340 40 0 BEABMO C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000011888672 173368279 /nfs/dbraw/zinc/36/82/79/173368279.db2.gz JOOMZMXXEQECFS-AWEZNQCLSA-N 1 1 218.344 2.118 40 0 BEABMO COc1ccc(C(=O)[C@H](C)[NH+]2CCCC2)cc1 ZINC000033952503 175066126 /nfs/dbraw/zinc/06/61/26/175066126.db2.gz QJWOQBGBEFNYKB-NSHDSACASA-N 1 1 233.311 2.362 40 0 in-vitro BEABMO COc1ccccc1[C@H](CN)[N@@H+]1CCC[C@@H](C)C1 ZINC000038809150 175353157 /nfs/dbraw/zinc/35/31/57/175353157.db2.gz AWACISUOWGQNCH-OCCSQVGLSA-N 1 1 248.370 2.427 40 0 BEABMO COc1ccccc1[C@H](CN)[N@H+]1CCC[C@@H](C)C1 ZINC000038809150 175353158 /nfs/dbraw/zinc/35/31/58/175353158.db2.gz AWACISUOWGQNCH-OCCSQVGLSA-N 1 1 248.370 2.427 40 0 BEABMO C[C@@H](c1ccccc1)[N@@H+]1CCNC[C@H]1C ZINC000041213211 176022176 /nfs/dbraw/zinc/02/21/76/176022176.db2.gz OPHHITNORRLRPQ-NEPJUHHUSA-N 1 1 204.317 2.041 40 0 BEABMO C[C@@H](c1ccccc1)[N@H+]1CCNC[C@H]1C ZINC000041213211 176022178 /nfs/dbraw/zinc/02/21/78/176022178.db2.gz OPHHITNORRLRPQ-NEPJUHHUSA-N 1 1 204.317 2.041 40 0 BEABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccs1 ZINC000072324618 176323806 /nfs/dbraw/zinc/32/38/06/176323806.db2.gz AUFZOEMMLVUAKW-NEPJUHHUSA-N 1 1 236.384 2.417 40 0 BEABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(F)c1 ZINC000019575142 176324426 /nfs/dbraw/zinc/32/44/26/176324426.db2.gz GETWVEJSRHTUMV-DOMZBBRYSA-N 1 1 248.345 2.494 40 0 BEABMO C[C@@H]1C[N@H+](C)C[C@H](C)C1(O)c1ccccc1 ZINC000004712839 177233881 /nfs/dbraw/zinc/23/38/81/177233881.db2.gz XSUFCGQZSFZRAK-ONXXMXGDSA-N 1 1 219.328 2.092 40 0 BEABMO C[C@H]1C[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O1 ZINC000096062534 177352688 /nfs/dbraw/zinc/35/26/88/177352688.db2.gz NVBQFSKORISUED-SGMGOOAPSA-N 1 1 232.327 2.081 40 0 BEABMO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000199548557 527378694 /nfs/dbraw/zinc/37/86/94/527378694.db2.gz ZXBLFXOIZZZBHD-NSHDSACASA-N 1 1 244.260 2.152 40 0 BEABMO