smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2[nH]c(CCC[NH3+])[nH+]c2cc1C ZINC000019733977 178302673 /nfs/dbraw/zinc/30/26/73/178302673.db2.gz IDPXOJHBDZLRKM-UHFFFAOYSA-N 2 2 203.289 2.071 50 0 BEAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OC)c1 ZINC000022936399 343057003 /nfs/dbraw/zinc/05/70/03/343057003.db2.gz IXNIBIRWZKGECC-CQSZACIVSA-N 2 2 248.370 2.269 50 0 BEAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OC)c1 ZINC000022936399 343057004 /nfs/dbraw/zinc/05/70/04/343057004.db2.gz IXNIBIRWZKGECC-CQSZACIVSA-N 2 2 248.370 2.269 50 0 BEAALP CC[NH+](CC)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000032497125 343236617 /nfs/dbraw/zinc/23/66/17/343236617.db2.gz FDSWKHRJTLVBAX-ZDUSSCGKSA-N 2 2 222.332 2.037 50 0 BEAALP CC[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000042783284 343453013 /nfs/dbraw/zinc/45/30/13/343453013.db2.gz UAJKVHDLTQTDQO-CQSZACIVSA-N 2 2 218.344 2.261 50 0 BEAALP CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000042783284 343453015 /nfs/dbraw/zinc/45/30/15/343453015.db2.gz UAJKVHDLTQTDQO-CQSZACIVSA-N 2 2 218.344 2.261 50 0 BEAALP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000070643549 537875556 /nfs/dbraw/zinc/87/55/56/537875556.db2.gz WCXWZSOZNVKZAE-JHJVBQTASA-N 2 2 210.365 2.249 50 0 BEAALP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000070643549 537875557 /nfs/dbraw/zinc/87/55/57/537875557.db2.gz WCXWZSOZNVKZAE-JHJVBQTASA-N 2 2 210.365 2.249 50 0 BEAALP Cc1cccc(OC[C@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000071315244 179172586 /nfs/dbraw/zinc/17/25/86/179172586.db2.gz WWJYQUSUYWAJCI-AWEZNQCLSA-N 2 2 248.370 2.045 50 0 BEAALP Cc1cccc(OC[C@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000071315244 179172589 /nfs/dbraw/zinc/17/25/89/179172589.db2.gz WWJYQUSUYWAJCI-AWEZNQCLSA-N 2 2 248.370 2.045 50 0 BEAALP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@@H+]1C ZINC000251709290 538052942 /nfs/dbraw/zinc/05/29/42/538052942.db2.gz IAVFJLYQOSGXDO-FVCCEPFGSA-N 2 2 210.365 2.247 50 0 BEAALP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@H+]1C ZINC000251709290 538052949 /nfs/dbraw/zinc/05/29/49/538052949.db2.gz IAVFJLYQOSGXDO-FVCCEPFGSA-N 2 2 210.365 2.247 50 0 BEAALP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[NH2+]1 ZINC000043495924 180102590 /nfs/dbraw/zinc/10/25/90/180102590.db2.gz JTIXTBNEEVXQSA-NSHDSACASA-N 2 2 215.300 2.097 50 0 BEAALP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@@H+]1C ZINC000252086134 538070999 /nfs/dbraw/zinc/07/09/99/538070999.db2.gz CVSGAHKFSQPRPO-LPWJVIDDSA-N 2 2 210.365 2.247 50 0 BEAALP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@H+]1C ZINC000252086134 538071007 /nfs/dbraw/zinc/07/10/07/538071007.db2.gz CVSGAHKFSQPRPO-LPWJVIDDSA-N 2 2 210.365 2.247 50 0 BEAALP Cc1nc(NC[C@@H](C(C)C)[NH+]2CCCC2)cc[nH+]1 ZINC000266193372 180200415 /nfs/dbraw/zinc/20/04/15/180200415.db2.gz ZHEBIOKEPOUPNE-ZDUSSCGKSA-N 2 2 248.374 2.317 50 0 BEAALP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@](C)(F)C1 ZINC000295566931 180254212 /nfs/dbraw/zinc/25/42/12/180254212.db2.gz YJIDGUHVYYPSDE-LBPRGKRZSA-N 2 2 225.311 2.016 50 0 BEAALP Cc1[nH+]ccn1CC[N@H+]1CCC[C@](C)(F)C1 ZINC000295566931 180254214 /nfs/dbraw/zinc/25/42/14/180254214.db2.gz YJIDGUHVYYPSDE-LBPRGKRZSA-N 2 2 225.311 2.016 50 0 BEAALP Cc1ccc(NC(=O)[C@H]([NH3+])CCC(C)C)c(C)[nH+]1 ZINC000638072985 351945266 /nfs/dbraw/zinc/94/52/66/351945266.db2.gz ATVMGFZBSCFAHG-GFCCVEGCSA-N 2 2 249.358 2.400 50 0 BEAALP [NH3+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000004218344 181345180 /nfs/dbraw/zinc/34/51/80/181345180.db2.gz BIMZLZOTBSPLRM-UHFFFAOYSA-N 2 2 224.735 2.263 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCSC1 ZINC000134816526 384426046 /nfs/dbraw/zinc/42/60/46/384426046.db2.gz OAWULEOGVCLGTC-CYBMUJFWSA-N 2 2 236.384 2.418 50 0 BEAALP c1cn(CC2CCC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000096032246 384422637 /nfs/dbraw/zinc/42/26/37/384422637.db2.gz HDWILNNFKKEOEC-GFCCVEGCSA-N 2 2 219.332 2.150 50 0 BEAALP C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000096482527 384461265 /nfs/dbraw/zinc/46/12/65/384461265.db2.gz NVKDDQBZODSEIN-GXTWGEPZSA-N 2 2 218.344 2.116 50 0 BEAALP C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000096482527 384461272 /nfs/dbraw/zinc/46/12/72/384461272.db2.gz NVKDDQBZODSEIN-GXTWGEPZSA-N 2 2 218.344 2.116 50 0 BEAALP [NH3+]C[C@@H](c1ccco1)[NH+]1CCCCCC1 ZINC000019702321 384535389 /nfs/dbraw/zinc/53/53/89/384535389.db2.gz LKCYAUMUKKLMBY-NSHDSACASA-N 2 2 208.305 2.155 50 0 BEAALP C[NH+](C)CC[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000019772647 384538223 /nfs/dbraw/zinc/53/82/23/384538223.db2.gz YLQWUUFKDIECRE-UHFFFAOYSA-N 2 2 236.403 2.354 50 0 BEAALP C1C[C@H]2C[NH2+][C@@H](C3CCCCC3)C[N@@H+]2C1 ZINC000072233328 385130223 /nfs/dbraw/zinc/13/02/23/385130223.db2.gz FEZJHFGBVBPDDS-QWHCGFSZSA-N 2 2 208.349 2.003 50 0 BEAALP C1C[C@H]2C[NH2+][C@@H](C3CCCCC3)C[N@H+]2C1 ZINC000072233328 385130227 /nfs/dbraw/zinc/13/02/27/385130227.db2.gz FEZJHFGBVBPDDS-QWHCGFSZSA-N 2 2 208.349 2.003 50 0 BEAALP Cc1ccoc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000089701980 388362060 /nfs/dbraw/zinc/36/20/60/388362060.db2.gz OBQKZZXBTFCPNC-LBPRGKRZSA-N 2 2 245.326 2.452 50 0 BEAALP CC(C)n1cc[nH+]c1CSCC[NH+](C)C ZINC000095441039 388770642 /nfs/dbraw/zinc/77/06/42/388770642.db2.gz ZJJFZEHOGGKXLA-UHFFFAOYSA-N 2 2 227.377 2.259 50 0 BEAALP C[C@H]1C[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000052273502 132362243 /nfs/dbraw/zinc/36/22/43/132362243.db2.gz HIEZULJZBHYDOO-AAEUAGOBSA-N 2 2 231.343 2.048 50 0 BEAALP CC(C)[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000045650323 167024259 /nfs/dbraw/zinc/02/42/59/167024259.db2.gz LYSFMBILQUBYDJ-HNNXBMFYSA-N 2 2 232.371 2.301 50 0 BEAALP CC(C)[N@H+]1CC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000045650323 167024261 /nfs/dbraw/zinc/02/42/61/167024261.db2.gz LYSFMBILQUBYDJ-HNNXBMFYSA-N 2 2 232.371 2.301 50 0 BEAALP CC1CC[NH+](CC[NH2+]C2CCCC2)CC1 ZINC000037482364 168181701 /nfs/dbraw/zinc/18/17/01/168181701.db2.gz JLGGUSYXJGNJPH-UHFFFAOYSA-N 2 2 210.365 2.251 50 0 BEAALP C[NH2+]CCCn1cc[nH+]c1-c1ccccc1 ZINC000016941540 173351336 /nfs/dbraw/zinc/35/13/36/173351336.db2.gz VYTVEEJZDJBLNE-UHFFFAOYSA-N 2 2 215.300 2.160 50 0 BEAALP COc1ccccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000035334642 175324529 /nfs/dbraw/zinc/32/45/29/175324529.db2.gz WJHJFLDYTLRTHI-UHFFFAOYSA-N 2 2 248.370 2.221 50 0 BEAALP COc1ccccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000035334642 175324530 /nfs/dbraw/zinc/32/45/30/175324530.db2.gz WJHJFLDYTLRTHI-UHFFFAOYSA-N 2 2 248.370 2.221 50 0 BEAALP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCCC1 ZINC000037482371 177075742 /nfs/dbraw/zinc/07/57/42/177075742.db2.gz NXFBXHRKACHCMC-LBPRGKRZSA-N 2 2 210.365 2.393 50 0 BEAALP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCCC1 ZINC000037482371 177075743 /nfs/dbraw/zinc/07/57/43/177075743.db2.gz NXFBXHRKACHCMC-LBPRGKRZSA-N 2 2 210.365 2.393 50 0 BEAALP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+][C@H](C)CC[C@@H]1[NH3+] ZINC000757209972 586438345 /nfs/dbraw/zinc/43/83/45/586438345.db2.gz GXBAVSKODBFGCM-LQJRIPTKSA-N 2 2 244.342 2.012 50 0 BEAALP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+][C@@H](C)CC[C@H]1[NH3+] ZINC000757216386 586441391 /nfs/dbraw/zinc/44/13/91/586441391.db2.gz ZUJFFVRGYFWLPQ-DRCTWCGVSA-N 2 2 244.342 2.012 50 0 BEAALP Cc1c[nH+]c(-c2ccccc2)n1C[C@H]1CC[NH2+]C1 ZINC000169793064 633949695 /nfs/dbraw/zinc/94/96/95/633949695.db2.gz UAPMQCUMECQWHR-ZDUSSCGKSA-N 2 2 241.338 2.468 50 0 BEAALP CC[N@H+](C)C[C@H](C)[NH2+]CCCOC1CCCC1 ZINC001506425790 988785759 /nfs/dbraw/zinc/78/57/59/988785759.db2.gz GIFOIBOLWAUSOP-ZDUSSCGKSA-N 2 2 242.407 2.266 50 0 BEAALP CC[N@@H+](C)C[C@H](C)[NH2+]CCCOC1CCCC1 ZINC001506425790 988785770 /nfs/dbraw/zinc/78/57/70/988785770.db2.gz GIFOIBOLWAUSOP-ZDUSSCGKSA-N 2 2 242.407 2.266 50 0 BEAALP Fc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000002380307 342719257 /nfs/dbraw/zinc/71/92/57/342719257.db2.gz QUBMCPWBZZGULH-UHFFFAOYSA-N 2 2 233.290 2.202 50 0 BEAALP [NH3+]C[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000083426010 398281810 /nfs/dbraw/zinc/28/18/10/398281810.db2.gz BZSQHIHHSWIKKO-CYBMUJFWSA-N 2 2 204.317 2.172 50 0 BEAALP C[NH+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000019861912 342959808 /nfs/dbraw/zinc/95/98/08/342959808.db2.gz OYMFXONHTUORJI-JTQLQIEISA-N 2 2 243.148 2.011 50 0 BEAALP C[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000019946824 342964024 /nfs/dbraw/zinc/96/40/24/342964024.db2.gz SDICWGCMDSZILV-XJKSGUPXSA-N 2 2 244.382 2.301 50 0 BEAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000022935951 343057181 /nfs/dbraw/zinc/05/71/81/343057181.db2.gz NTYZVAOTCYZUKE-AWEZNQCLSA-N 2 2 236.334 2.400 50 0 BEAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000022935951 343057183 /nfs/dbraw/zinc/05/71/83/343057183.db2.gz NTYZVAOTCYZUKE-AWEZNQCLSA-N 2 2 236.334 2.400 50 0 BEAALP Cc1ccc([C@H]([NH3+])Cn2cc[nH+]c2)c(C)c1 ZINC000023068836 343058273 /nfs/dbraw/zinc/05/82/73/343058273.db2.gz VUMKZWMTVQZXOG-CYBMUJFWSA-N 2 2 215.300 2.200 50 0 BEAALP CC[C@@H](C)[N@H+](CC[NH3+])Cc1cccs1 ZINC000032012712 343228081 /nfs/dbraw/zinc/22/80/81/343228081.db2.gz VVHRJYAVEIGZKV-SNVBAGLBSA-N 2 2 212.362 2.307 50 0 BEAALP CC[C@@H](C)[N@@H+](CC[NH3+])Cc1cccs1 ZINC000032012712 343228084 /nfs/dbraw/zinc/22/80/84/343228084.db2.gz VVHRJYAVEIGZKV-SNVBAGLBSA-N 2 2 212.362 2.307 50 0 BEAALP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000032497017 343236179 /nfs/dbraw/zinc/23/61/79/343236179.db2.gz XSGLRLYBPQGKSM-ZDUSSCGKSA-N 2 2 222.332 2.037 50 0 BEAALP COc1ccc([C@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000032509081 343236542 /nfs/dbraw/zinc/23/65/42/343236542.db2.gz AJXUGVNIFNKCNF-AWEZNQCLSA-N 2 2 234.343 2.181 50 0 BEAALP C[N@H+](Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC000000239740 343269223 /nfs/dbraw/zinc/26/92/23/343269223.db2.gz OXQMOEWVIKILFD-UHFFFAOYSA-N 2 2 236.334 2.352 50 0 BEAALP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC000000239740 343269224 /nfs/dbraw/zinc/26/92/24/343269224.db2.gz OXQMOEWVIKILFD-UHFFFAOYSA-N 2 2 236.334 2.352 50 0 BEAALP CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC000039185318 343386711 /nfs/dbraw/zinc/38/67/11/343386711.db2.gz LZWFLHHYCLWAHT-AWEZNQCLSA-N 2 2 218.344 2.261 50 0 BEAALP CC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC000039185318 343386714 /nfs/dbraw/zinc/38/67/14/343386714.db2.gz LZWFLHHYCLWAHT-AWEZNQCLSA-N 2 2 218.344 2.261 50 0 BEAALP Cc1cccc(N[C@@H]2CCCC[C@H]2[NH3+])[nH+]1 ZINC000038051139 179155430 /nfs/dbraw/zinc/15/54/30/179155430.db2.gz VWAAFHGBCXJUPN-GHMZBOCLSA-N 2 2 205.305 2.072 50 0 BEAALP Cc1ccccc1C[NH2+]CC[NH+]1CCCC1 ZINC000020126735 179280663 /nfs/dbraw/zinc/28/06/63/179280663.db2.gz HYGIFRLGZLGAFA-UHFFFAOYSA-N 2 2 218.344 2.180 50 0 BEAALP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@@H+]1C ZINC000251709292 538052704 /nfs/dbraw/zinc/05/27/04/538052704.db2.gz IAVFJLYQOSGXDO-NDBYEHHHSA-N 2 2 210.365 2.247 50 0 BEAALP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@H+]1C ZINC000251709292 538052711 /nfs/dbraw/zinc/05/27/11/538052711.db2.gz IAVFJLYQOSGXDO-NDBYEHHHSA-N 2 2 210.365 2.247 50 0 BEAALP CO[C@](C)(C[NH2+]CCc1cc[nH+]cc1C)C1CC1 ZINC000397527125 350903926 /nfs/dbraw/zinc/90/39/26/350903926.db2.gz JBFGHTKQVABZSE-OAHLLOKOSA-N 2 2 248.370 2.337 50 0 BEAALP Cc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1C ZINC000034993528 351376842 /nfs/dbraw/zinc/37/68/42/351376842.db2.gz UFYWEIKEFYZHQM-UHFFFAOYSA-N 2 2 232.371 2.489 50 0 BEAALP CC[NH+](CC)CCNc1[nH]c2ccccc2[nH+]1 ZINC000001422718 353698090 /nfs/dbraw/zinc/69/80/90/353698090.db2.gz NNBHPKUSHGYYBR-UHFFFAOYSA-N 2 2 232.331 2.317 50 0 BEAALP Fc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000072163143 181011663 /nfs/dbraw/zinc/01/16/63/181011663.db2.gz ZQMCOWFRNJAQRP-OAHLLOKOSA-N 2 2 248.345 2.401 50 0 BEAALP Fc1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000072163143 181011669 /nfs/dbraw/zinc/01/16/69/181011669.db2.gz ZQMCOWFRNJAQRP-OAHLLOKOSA-N 2 2 248.345 2.401 50 0 BEAALP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccncc2)C1 ZINC000079014966 169079507 /nfs/dbraw/zinc/07/95/07/169079507.db2.gz IVPPKMKBFCXONL-HNNXBMFYSA-N 2 2 247.386 2.245 50 0 BEAALP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccncc2)C1 ZINC000079014966 169079509 /nfs/dbraw/zinc/07/95/09/169079509.db2.gz IVPPKMKBFCXONL-HNNXBMFYSA-N 2 2 247.386 2.245 50 0 BEAALP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000079014966 169079510 /nfs/dbraw/zinc/07/95/10/169079510.db2.gz IVPPKMKBFCXONL-HNNXBMFYSA-N 2 2 247.386 2.245 50 0 BEAALP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000079014966 169079512 /nfs/dbraw/zinc/07/95/12/169079512.db2.gz IVPPKMKBFCXONL-HNNXBMFYSA-N 2 2 247.386 2.245 50 0 BEAALP CCC[N@@H+]1CCCN(c2cccc(C)[nH+]2)CC1 ZINC000157536866 169193706 /nfs/dbraw/zinc/19/37/06/169193706.db2.gz KEKFAXNPVBDRGR-UHFFFAOYSA-N 2 2 233.359 2.312 50 0 BEAALP CCC[N@H+]1CCCN(c2cccc(C)[nH+]2)CC1 ZINC000157536866 169193708 /nfs/dbraw/zinc/19/37/08/169193708.db2.gz KEKFAXNPVBDRGR-UHFFFAOYSA-N 2 2 233.359 2.312 50 0 BEAALP c1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000034615653 183399817 /nfs/dbraw/zinc/39/98/17/183399817.db2.gz YIZAKHJUGTXWTG-AWEZNQCLSA-N 2 2 216.328 2.015 50 0 BEAALP c1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000034615653 183399818 /nfs/dbraw/zinc/39/98/18/183399818.db2.gz YIZAKHJUGTXWTG-AWEZNQCLSA-N 2 2 216.328 2.015 50 0 BEAALP Cc1ccc(C)c(OCC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000067723299 383938934 /nfs/dbraw/zinc/93/89/34/383938934.db2.gz KYGIRTAMYRQTRO-AWEZNQCLSA-N 2 2 248.370 2.024 50 0 BEAALP c1ccc2c(c1)CC[N@@H+](C[C@@H]1CCCC[NH2+]1)C2 ZINC000019432374 384521626 /nfs/dbraw/zinc/52/16/26/384521626.db2.gz OEDNKJKYNYWJBW-HNNXBMFYSA-N 2 2 230.355 2.187 50 0 BEAALP c1ccc2c(c1)CC[N@H+](C[C@@H]1CCCC[NH2+]1)C2 ZINC000019432374 384521629 /nfs/dbraw/zinc/52/16/29/384521629.db2.gz OEDNKJKYNYWJBW-HNNXBMFYSA-N 2 2 230.355 2.187 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000271479659 384735677 /nfs/dbraw/zinc/73/56/77/384735677.db2.gz ISWBWBNTMQYVEX-DZGCQCFKSA-N 3 2 247.386 2.005 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000271479659 384735684 /nfs/dbraw/zinc/73/56/84/384735684.db2.gz ISWBWBNTMQYVEX-DZGCQCFKSA-N 3 2 247.386 2.005 50 0 BEAALP Cc1[nH]c(C[NH2+]Cc2ccccc2)c[nH+]1 ZINC000054797737 384855920 /nfs/dbraw/zinc/85/59/20/384855920.db2.gz MOYYZLBUSUTCHM-UHFFFAOYSA-N 2 2 201.273 2.008 50 0 BEAALP CCCc1nc(N(C)Cc2[nH]cc[nH+]2)cc(C)[nH+]1 ZINC000065421628 385309836 /nfs/dbraw/zinc/30/98/36/385309836.db2.gz GIDFEQCECGJJOT-UHFFFAOYSA-N 2 2 245.330 2.097 50 0 BEAALP Cc1noc(C)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054397 386562320 /nfs/dbraw/zinc/56/23/20/386562320.db2.gz WGLUCHYHEQTOHF-UHFFFAOYSA-N 2 2 249.358 2.008 50 0 BEAALP Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc[nH+]c1 ZINC000192081284 387338775 /nfs/dbraw/zinc/33/87/75/387338775.db2.gz MGLSNULGBDQRQE-UHFFFAOYSA-N 2 2 238.294 2.426 50 0 BEAALP Cc1nc(N2CCC([N@@H+](C)C(C)C)CC2)cc[nH+]1 ZINC000195531009 388477240 /nfs/dbraw/zinc/47/72/40/388477240.db2.gz PAIAOJAZLLFZJY-UHFFFAOYSA-N 2 2 248.374 2.094 50 0 BEAALP Cc1nc(N2CCC([N@H+](C)C(C)C)CC2)cc[nH+]1 ZINC000195531009 388477241 /nfs/dbraw/zinc/47/72/41/388477241.db2.gz PAIAOJAZLLFZJY-UHFFFAOYSA-N 2 2 248.374 2.094 50 0 BEAALP C[C@H]1C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000052273505 132362165 /nfs/dbraw/zinc/36/21/65/132362165.db2.gz HIEZULJZBHYDOO-WCQYABFASA-N 2 2 231.343 2.048 50 0 BEAALP CC1CC[NH+]([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000032522378 168185620 /nfs/dbraw/zinc/18/56/20/168185620.db2.gz XQTFEFRXFNJBQW-AWEZNQCLSA-N 2 2 218.344 2.418 50 0 BEAALP CC1CC[NH+]([C@H](C[NH3+])c2ccco2)CC1 ZINC000019201138 168187833 /nfs/dbraw/zinc/18/78/33/168187833.db2.gz SLVHXCZXAVMWOH-LLVKDONJSA-N 2 2 208.305 2.011 50 0 BEAALP CC[NH2+]CCc1[nH]c2ccc(C)cc2[nH+]1 ZINC000019089176 170118460 /nfs/dbraw/zinc/11/84/60/170118460.db2.gz MZUGBESYPPLZJD-UHFFFAOYSA-N 2 2 203.289 2.023 50 0 BEAALP C[NH+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000019861903 172519135 /nfs/dbraw/zinc/51/91/35/172519135.db2.gz RRKBCANPLPFWSQ-JTQLQIEISA-N 2 2 243.148 2.011 50 0 BEAALP C[C@@H]1CCCC[C@@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000097086457 176076133 /nfs/dbraw/zinc/07/61/33/176076133.db2.gz WWRLDQQCOFBPJO-CHWSQXEVSA-N 2 2 221.348 2.299 50 0 BEAALP C[C@H](c1ccccn1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000096490573 177042991 /nfs/dbraw/zinc/04/29/91/177042991.db2.gz GYRHFEZQNCLEGH-CYBMUJFWSA-N 2 2 244.342 2.361 50 0 BEAALP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1CCCC[NH2+]1 ZINC000103002859 177116902 /nfs/dbraw/zinc/11/69/02/177116902.db2.gz QPCPEWNGTUGRKV-FRRDWIJNSA-N 2 2 210.365 2.391 50 0 BEAALP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1CCCC[NH2+]1 ZINC000103002859 177116906 /nfs/dbraw/zinc/11/69/06/177116906.db2.gz QPCPEWNGTUGRKV-FRRDWIJNSA-N 2 2 210.365 2.391 50 0 BEAALP COc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000002522999 524486553 /nfs/dbraw/zinc/48/65/53/524486553.db2.gz AALABIFORUASAG-UHFFFAOYSA-N 2 2 245.326 2.072 50 0 BEAALP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)no1 ZINC000089604750 524661532 /nfs/dbraw/zinc/66/15/32/524661532.db2.gz WDDVDTXXFDJAOK-UHFFFAOYSA-N 2 2 248.330 2.010 50 0 BEAALP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)no1 ZINC000089604750 524661539 /nfs/dbraw/zinc/66/15/39/524661539.db2.gz WDDVDTXXFDJAOK-UHFFFAOYSA-N 2 2 248.330 2.010 50 0 BEAALP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+][C@H](C)CC[C@H]1[NH3+] ZINC000757216387 586441157 /nfs/dbraw/zinc/44/11/57/586441157.db2.gz ZUJFFVRGYFWLPQ-GLXFQSAKSA-N 2 2 244.342 2.012 50 0 BEAALP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000000240602 642760969 /nfs/dbraw/zinc/76/09/69/642760969.db2.gz QKVBVKDCYFUWPM-UHFFFAOYSA-N 2 2 236.334 2.352 50 0 BEAALP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000000240602 642760974 /nfs/dbraw/zinc/76/09/74/642760974.db2.gz QKVBVKDCYFUWPM-UHFFFAOYSA-N 2 2 236.334 2.352 50 0 BEAALP C[NH+]1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000000276864 342682060 /nfs/dbraw/zinc/68/20/60/342682060.db2.gz CHTDSLNEXIGYDX-UHFFFAOYSA-N 2 2 222.307 2.010 50 0 BEAALP Cc1c[nH+]ccc1C[C@@H]1CCCCC[NH2+]1 ZINC000004234903 342744952 /nfs/dbraw/zinc/74/49/52/342744952.db2.gz OSNDCBRJTAIDGW-ZDUSSCGKSA-N 2 2 204.317 2.465 50 0 BEAALP Cc1ccc2[nH]c(C3CC[NH2+]CC3)[nH+]c2c1 ZINC000002559735 342723962 /nfs/dbraw/zinc/72/39/62/342723962.db2.gz SGSHCWRNRXJLTC-UHFFFAOYSA-N 2 2 215.300 2.338 50 0 BEAALP Cc1ccc([C@H](C[NH3+])[NH+]2CCC(C)CC2)o1 ZINC000019771720 342956619 /nfs/dbraw/zinc/95/66/19/342956619.db2.gz WFSUKYMRSHULEI-LBPRGKRZSA-N 2 2 222.332 2.320 50 0 BEAALP C[C@H]([NH2+][C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000019946499 342963903 /nfs/dbraw/zinc/96/39/03/342963903.db2.gz YUJLYFFNXJRLDW-SWLSCSKDSA-N 2 2 230.355 2.431 50 0 BEAALP CC(C)c1[nH+]c2ccccc2n1CC[NH3+] ZINC000020223146 342978166 /nfs/dbraw/zinc/97/81/66/342978166.db2.gz NABWXAOLWIGEEW-UHFFFAOYSA-N 2 2 203.289 2.118 50 0 BEAALP C[NH+](C)[C@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000022213779 343044256 /nfs/dbraw/zinc/04/42/56/343044256.db2.gz CFRAIORJLQOCSP-SNVBAGLBSA-N 2 2 232.249 2.267 50 0 BEAALP C1C[C@@H]2[C@H](C3CCCCC3)[NH2+]CC[N@@H+]2C1 ZINC000022456088 343049414 /nfs/dbraw/zinc/04/94/14/343049414.db2.gz HWGJYRYPRGQACU-OLZOCXBDSA-N 2 2 208.349 2.003 50 0 BEAALP C1C[C@@H]2[C@H](C3CCCCC3)[NH2+]CC[N@H+]2C1 ZINC000022456088 343049416 /nfs/dbraw/zinc/04/94/16/343049416.db2.gz HWGJYRYPRGQACU-OLZOCXBDSA-N 2 2 208.349 2.003 50 0 BEAALP Cc1cccc2[nH+]c(C3CC[NH2+]CC3)[nH]c21 ZINC000019091392 187252057 /nfs/dbraw/zinc/25/20/57/187252057.db2.gz GDGRWJKWBUKOOZ-UHFFFAOYSA-N 2 2 215.300 2.338 50 0 BEAALP Cc1cccc2[nH]c(C3CC[NH2+]CC3)[nH+]c21 ZINC000019091392 187252059 /nfs/dbraw/zinc/25/20/59/187252059.db2.gz GDGRWJKWBUKOOZ-UHFFFAOYSA-N 2 2 215.300 2.338 50 0 BEAALP CC(C)(C)c1cn2c([nH+]1)[C@@H](C[NH3+])CCC2 ZINC000072226606 187276384 /nfs/dbraw/zinc/27/63/84/187276384.db2.gz XDRYWVURGYHVCE-SECBINFHSA-N 2 2 207.321 2.017 50 0 BEAALP Cc1cccc(N(C)CCCn2cc[nH+]c2)[nH+]1 ZINC000158063323 179116299 /nfs/dbraw/zinc/11/62/99/179116299.db2.gz MJECPHTWJWPGHW-UHFFFAOYSA-N 2 2 230.315 2.113 50 0 BEAALP Cc1cccc(NC[C@H](C2CC2)[NH+](C)C)[nH+]1 ZINC000097163296 179149050 /nfs/dbraw/zinc/14/90/50/179149050.db2.gz RNYAPORLDJKMCO-GFCCVEGCSA-N 2 2 219.332 2.142 50 0 BEAALP Cc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000002510443 179281303 /nfs/dbraw/zinc/28/13/03/179281303.db2.gz IDDDUAQICFOXAS-UHFFFAOYSA-N 2 2 229.327 2.371 50 0 BEAALP CC(C)[C@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000039141106 188290746 /nfs/dbraw/zinc/29/07/46/188290746.db2.gz KNGBJSXFCBIQGY-CYBMUJFWSA-N 2 2 206.333 2.102 50 0 BEAALP CC(C)[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000039141106 188290748 /nfs/dbraw/zinc/29/07/48/188290748.db2.gz KNGBJSXFCBIQGY-CYBMUJFWSA-N 2 2 206.333 2.102 50 0 BEAALP [NH3+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000011729466 181344744 /nfs/dbraw/zinc/34/47/44/181344744.db2.gz DAGOWXSFYONSNE-UHFFFAOYSA-N 2 2 224.735 2.263 50 0 BEAALP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000101630855 368381034 /nfs/dbraw/zinc/38/10/34/368381034.db2.gz ROGPDGDVTBVNPY-BXKDBHETSA-N 2 2 242.725 2.431 50 0 BEAALP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000101630855 368381039 /nfs/dbraw/zinc/38/10/39/368381039.db2.gz ROGPDGDVTBVNPY-BXKDBHETSA-N 2 2 242.725 2.431 50 0 BEAALP c1[nH]c2c([nH+]1)CC[NH+](Cc1ccccc1)CC2 ZINC000114071980 368385957 /nfs/dbraw/zinc/38/59/57/368385957.db2.gz PYAKDZTUKYUQDQ-UHFFFAOYSA-N 2 2 227.311 2.011 50 0 BEAALP c1csc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000039170033 183518808 /nfs/dbraw/zinc/51/88/08/183518808.db2.gz IJQCIOLBJSGIEJ-UHFFFAOYSA-N 2 2 221.329 2.125 50 0 BEAALP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1cscn1)CCC2 ZINC000084613351 384406458 /nfs/dbraw/zinc/40/64/58/384406458.db2.gz IPZLFONVGNVKOA-JTQLQIEISA-N 2 2 248.355 2.007 50 0 BEAALP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cscn2)c[nH+]1 ZINC000188398175 384947649 /nfs/dbraw/zinc/94/76/49/384947649.db2.gz WQYWCXMFVVVZIN-LBPRGKRZSA-N 2 2 248.355 2.004 50 0 BEAALP c1cn(C[C@@H]2CCC[N@H+]2Cc2cscn2)c[nH+]1 ZINC000188398175 384947654 /nfs/dbraw/zinc/94/76/54/384947654.db2.gz WQYWCXMFVVVZIN-LBPRGKRZSA-N 2 2 248.355 2.004 50 0 BEAALP CC[NH+](CC)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000032497018 385167146 /nfs/dbraw/zinc/16/71/46/385167146.db2.gz XSGLRLYBPQGKSM-CYBMUJFWSA-N 2 2 222.332 2.037 50 0 BEAALP C1C[C@@H]2C[NH2+][C@@H](C3CCCCC3)C[N@@H+]2C1 ZINC000072233327 387288537 /nfs/dbraw/zinc/28/85/37/387288537.db2.gz FEZJHFGBVBPDDS-CHWSQXEVSA-N 2 2 208.349 2.003 50 0 BEAALP C1C[C@@H]2C[NH2+][C@@H](C3CCCCC3)C[N@H+]2C1 ZINC000072233327 387288540 /nfs/dbraw/zinc/28/85/40/387288540.db2.gz FEZJHFGBVBPDDS-CHWSQXEVSA-N 2 2 208.349 2.003 50 0 BEAALP C[C@@H]1C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000052273503 132362133 /nfs/dbraw/zinc/36/21/33/132362133.db2.gz HIEZULJZBHYDOO-DGCLKSJQSA-N 2 2 231.343 2.048 50 0 BEAALP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000036379855 170168238 /nfs/dbraw/zinc/16/82/38/170168238.db2.gz KYHJIZBPFBUCSV-JSGCOSHPSA-N 2 2 218.344 2.431 50 0 BEAALP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000036379855 170168239 /nfs/dbraw/zinc/16/82/39/170168239.db2.gz KYHJIZBPFBUCSV-JSGCOSHPSA-N 2 2 218.344 2.431 50 0 BEAALP C[N@@H+]1CCCN(c2cc[nH+]c3ccsc32)CC1 ZINC000089382480 173019430 /nfs/dbraw/zinc/01/94/30/173019430.db2.gz KWYDFXJWSPTLKY-UHFFFAOYSA-N 2 2 247.367 2.438 50 0 BEAALP C[N@H+]1CCCN(c2cc[nH+]c3ccsc32)CC1 ZINC000089382480 173019432 /nfs/dbraw/zinc/01/94/32/173019432.db2.gz KWYDFXJWSPTLKY-UHFFFAOYSA-N 2 2 247.367 2.438 50 0 BEAALP COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000002510440 175106540 /nfs/dbraw/zinc/10/65/40/175106540.db2.gz NFPUHHKCAWFCCC-UHFFFAOYSA-N 2 2 245.326 2.072 50 0 BEAALP C[C@@H]1CCCC[C@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000097086459 176085378 /nfs/dbraw/zinc/08/53/78/176085378.db2.gz WWRLDQQCOFBPJO-OLZOCXBDSA-N 2 2 221.348 2.299 50 0 BEAALP C[C@H]1CCCC[C@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000097086460 177086009 /nfs/dbraw/zinc/08/60/09/177086009.db2.gz WWRLDQQCOFBPJO-STQMWFEESA-N 2 2 221.348 2.299 50 0 BEAALP Cc1ccc2oc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2c1 ZINC000097102818 487831271 /nfs/dbraw/zinc/83/12/71/487831271.db2.gz OYHCMIXRIPASHF-LBPRGKRZSA-N 2 2 230.311 2.274 50 0 BEAALP Cc1ccc2oc(C[N@H+]3CC[C@H]([NH3+])C3)cc2c1 ZINC000097102818 487831274 /nfs/dbraw/zinc/83/12/74/487831274.db2.gz OYHCMIXRIPASHF-LBPRGKRZSA-N 2 2 230.311 2.274 50 0 BEAALP CC(C)c1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)no1 ZINC000534665361 323158426 /nfs/dbraw/zinc/15/84/26/323158426.db2.gz AGKKLQAFHXRDNX-LLVKDONJSA-N 2 2 248.330 2.173 50 0 BEAALP Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)o1 ZINC000195573470 524452848 /nfs/dbraw/zinc/45/28/48/524452848.db2.gz NCNYSLJOXAYNIJ-ZDUSSCGKSA-N 2 2 245.326 2.449 50 0 BEAALP Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)o1 ZINC000195573470 524452855 /nfs/dbraw/zinc/45/28/55/524452855.db2.gz NCNYSLJOXAYNIJ-ZDUSSCGKSA-N 2 2 245.326 2.449 50 0 BEAALP CC[C@H]1CCC[N@H+](CCc2[nH+]ccn2C)CC1 ZINC000822722754 968533345 /nfs/dbraw/zinc/53/33/45/968533345.db2.gz UJOFAHKOVRCGMF-ZDUSSCGKSA-N 2 2 235.375 2.475 50 0 BEAALP CC[C@H]1CCC[N@@H+](CCc2[nH+]ccn2C)CC1 ZINC000822722754 968533353 /nfs/dbraw/zinc/53/33/53/968533353.db2.gz UJOFAHKOVRCGMF-ZDUSSCGKSA-N 2 2 235.375 2.475 50 0 BEAALP C[C@H]([NH2+][C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000019946507 342963946 /nfs/dbraw/zinc/96/39/46/342963946.db2.gz YUJLYFFNXJRLDW-WFASDCNBSA-N 2 2 230.355 2.431 50 0 BEAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OC)c1 ZINC000022936401 343057053 /nfs/dbraw/zinc/05/70/53/343057053.db2.gz IXNIBIRWZKGECC-AWEZNQCLSA-N 2 2 248.370 2.269 50 0 BEAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OC)c1 ZINC000022936401 343057055 /nfs/dbraw/zinc/05/70/55/343057055.db2.gz IXNIBIRWZKGECC-AWEZNQCLSA-N 2 2 248.370 2.269 50 0 BEAALP CCOc1ccc([C@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000032522368 343237141 /nfs/dbraw/zinc/23/71/41/343237141.db2.gz IHSRNHAQSLSZON-AWEZNQCLSA-N 2 2 234.343 2.181 50 0 BEAALP Clc1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000041041717 343413349 /nfs/dbraw/zinc/41/33/49/343413349.db2.gz BAJPUQGATIEMHV-UHFFFAOYSA-N 2 2 235.718 2.326 50 0 BEAALP C([C@H]1CCCCC[NH2+]1)[NH+]1CCCCCC1 ZINC000039706245 187263457 /nfs/dbraw/zinc/26/34/57/187263457.db2.gz FKJULXMLCXCDMD-CYBMUJFWSA-N 2 2 210.365 2.395 50 0 BEAALP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000070643547 537875219 /nfs/dbraw/zinc/87/52/19/537875219.db2.gz WCXWZSOZNVKZAE-FRRDWIJNSA-N 2 2 210.365 2.249 50 0 BEAALP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000070643547 537875227 /nfs/dbraw/zinc/87/52/27/537875227.db2.gz WCXWZSOZNVKZAE-FRRDWIJNSA-N 2 2 210.365 2.249 50 0 BEAALP CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC[NH2+]1 ZINC000248029123 345019692 /nfs/dbraw/zinc/01/96/92/345019692.db2.gz NTFVIIAEJUAUIK-CHWSQXEVSA-N 2 2 210.365 2.393 50 0 BEAALP CC[C@@H]1CCCC[N@H+]1C[C@H]1CCCC[NH2+]1 ZINC000248029123 345019694 /nfs/dbraw/zinc/01/96/94/345019694.db2.gz NTFVIIAEJUAUIK-CHWSQXEVSA-N 2 2 210.365 2.393 50 0 BEAALP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@@H+]1C ZINC000252086136 538071169 /nfs/dbraw/zinc/07/11/69/538071169.db2.gz CVSGAHKFSQPRPO-VOAKCMCISA-N 2 2 210.365 2.247 50 0 BEAALP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@H+]1C ZINC000252086136 538071180 /nfs/dbraw/zinc/07/11/80/538071180.db2.gz CVSGAHKFSQPRPO-VOAKCMCISA-N 2 2 210.365 2.247 50 0 BEAALP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000101630852 368380954 /nfs/dbraw/zinc/38/09/54/368380954.db2.gz ROGPDGDVTBVNPY-JOYOIKCWSA-N 2 2 242.725 2.431 50 0 BEAALP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000101630852 368380959 /nfs/dbraw/zinc/38/09/59/368380959.db2.gz ROGPDGDVTBVNPY-JOYOIKCWSA-N 2 2 242.725 2.431 50 0 BEAALP CCCCn1cc[nH+]c1C1CC[NH2+]CC1 ZINC000082510101 169037327 /nfs/dbraw/zinc/03/73/27/169037327.db2.gz IGFYWAIKHBZFID-UHFFFAOYSA-N 2 2 207.321 2.150 50 0 BEAALP CCC[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000019957001 169188030 /nfs/dbraw/zinc/18/80/30/169188030.db2.gz UOWIKXMCCGLMLJ-UHFFFAOYSA-N 2 2 233.359 2.046 50 0 BEAALP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1=CCCCC1 ZINC000067673066 383935622 /nfs/dbraw/zinc/93/56/22/383935622.db2.gz CIPZIDIVOHWQPK-GFCCVEGCSA-N 2 2 219.332 2.362 50 0 BEAALP C[NH+]1CCC([NH2+]C2(c3cccc(F)c3)CC2)CC1 ZINC000095991431 384418256 /nfs/dbraw/zinc/41/82/56/384418256.db2.gz RVGSFLWDKCWROQ-UHFFFAOYSA-N 2 2 248.345 2.499 50 0 BEAALP C[C@H]1CCCC[C@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000119999487 385133224 /nfs/dbraw/zinc/13/32/24/385133224.db2.gz ANXANKBEWPXVKS-QWHCGFSZSA-N 2 2 221.348 2.394 50 0 BEAALP C[C@H]1CCCC[C@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000119999487 385133229 /nfs/dbraw/zinc/13/32/29/385133229.db2.gz ANXANKBEWPXVKS-QWHCGFSZSA-N 2 2 221.348 2.394 50 0 BEAALP c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]c1 ZINC000228182285 387080337 /nfs/dbraw/zinc/08/03/37/387080337.db2.gz QWSSUZQLHVGKHB-RYUDHWBXSA-N 2 2 217.316 2.120 50 0 BEAALP c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]c1 ZINC000228182285 387080341 /nfs/dbraw/zinc/08/03/41/387080341.db2.gz QWSSUZQLHVGKHB-RYUDHWBXSA-N 2 2 217.316 2.120 50 0 BEAALP c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]c1 ZINC000228182271 387081174 /nfs/dbraw/zinc/08/11/74/387081174.db2.gz QWSSUZQLHVGKHB-NEPJUHHUSA-N 2 2 217.316 2.120 50 0 BEAALP c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]c1 ZINC000228182271 387081177 /nfs/dbraw/zinc/08/11/77/387081177.db2.gz QWSSUZQLHVGKHB-NEPJUHHUSA-N 2 2 217.316 2.120 50 0 BEAALP Fc1ccc(/C=C/C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000071544289 388098664 /nfs/dbraw/zinc/09/86/64/388098664.db2.gz KSFKJYBHQKKCMG-HNQUOIGGSA-N 2 2 234.318 2.134 50 0 BEAALP Fc1ccc(/C=C/C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000071544289 388098665 /nfs/dbraw/zinc/09/86/65/388098665.db2.gz KSFKJYBHQKKCMG-HNQUOIGGSA-N 2 2 234.318 2.134 50 0 BEAALP C[N@H+](CCCn1cc[nH+]c1)CC1CCC1 ZINC000095984099 388798963 /nfs/dbraw/zinc/79/89/63/388798963.db2.gz WUCVGEAYAYQKOW-UHFFFAOYSA-N 2 2 207.321 2.005 50 0 BEAALP C[N@@H+](CCCn1cc[nH+]c1)CC1CCC1 ZINC000095984099 388798964 /nfs/dbraw/zinc/79/89/64/388798964.db2.gz WUCVGEAYAYQKOW-UHFFFAOYSA-N 2 2 207.321 2.005 50 0 BEAALP CC(C)Oc1ccc([C@H](C[NH3+])[NH+](C)C)cc1 ZINC000032497102 167300395 /nfs/dbraw/zinc/30/03/95/167300395.db2.gz YQIGXGUELXVADN-ZDUSSCGKSA-N 2 2 222.332 2.035 50 0 BEAALP CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000101192377 170152916 /nfs/dbraw/zinc/15/29/16/170152916.db2.gz KYHJIZBPFBUCSV-TZMCWYRMSA-N 2 2 218.344 2.431 50 0 BEAALP CC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000101192377 170152918 /nfs/dbraw/zinc/15/29/18/170152918.db2.gz KYHJIZBPFBUCSV-TZMCWYRMSA-N 2 2 218.344 2.431 50 0 BEAALP Cc1c[nH+]c(C)nc1NCC[C@H]1CCC[N@@H+](C)C1 ZINC000519658306 411735582 /nfs/dbraw/zinc/73/55/82/411735582.db2.gz XTEVLXBRCWSROG-CYBMUJFWSA-N 2 2 248.374 2.237 50 0 BEAALP Cc1c[nH+]c(C)nc1NCC[C@H]1CCC[N@H+](C)C1 ZINC000519658306 411735585 /nfs/dbraw/zinc/73/55/85/411735585.db2.gz XTEVLXBRCWSROG-CYBMUJFWSA-N 2 2 248.374 2.237 50 0 BEAALP Cc1c[nH+]c(C)nc1N[C@H](C)C1CC[NH+](C)CC1 ZINC000534638468 411737581 /nfs/dbraw/zinc/73/75/81/411737581.db2.gz DTICHIXVOCGTDO-LLVKDONJSA-N 2 2 248.374 2.236 50 0 BEAALP COc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000000237155 175253482 /nfs/dbraw/zinc/25/34/82/175253482.db2.gz RTEZOWDEYWWOKN-UHFFFAOYSA-N 2 2 248.370 2.221 50 0 BEAALP COc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000000237155 175253483 /nfs/dbraw/zinc/25/34/83/175253483.db2.gz RTEZOWDEYWWOKN-UHFFFAOYSA-N 2 2 248.370 2.221 50 0 BEAALP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CCCC[NH2+]1 ZINC000038971043 176115981 /nfs/dbraw/zinc/11/59/81/176115981.db2.gz QPCPEWNGTUGRKV-UPJWGTAASA-N 2 2 210.365 2.391 50 0 BEAALP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000022455353 176212904 /nfs/dbraw/zinc/21/29/04/176212904.db2.gz OIFGPLMAELDRMO-CHWSQXEVSA-N 2 2 210.365 2.251 50 0 BEAALP C[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000022455358 177193148 /nfs/dbraw/zinc/19/31/48/177193148.db2.gz OIFGPLMAELDRMO-QWHCGFSZSA-N 2 2 210.365 2.251 50 0 BEAALP CCc1c[nH+]c(C)nc1NCCCn1cc[nH+]c1 ZINC000065503482 522001915 /nfs/dbraw/zinc/00/19/15/522001915.db2.gz ZITJNVWUYNYUDI-UHFFFAOYSA-N 2 2 245.330 2.046 50 0 BEAALP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+][C@H](C)CC[C@@H]1[NH3+] ZINC000757216390 586441373 /nfs/dbraw/zinc/44/13/73/586441373.db2.gz ZUJFFVRGYFWLPQ-OLUVUFQESA-N 2 2 244.342 2.012 50 0 BEAALP c1ccc2c(c1)CC[N@@H+]([C@@H]1C[NH+]3CCC1CC3)C2 ZINC000023282323 632769753 /nfs/dbraw/zinc/76/97/53/632769753.db2.gz JQGJQPVUHUOZCA-MRXNPFEDSA-N 2 2 242.366 2.139 50 0 BEAALP c1ccc2c(c1)CC[N@H+]([C@@H]1C[NH+]3CCC1CC3)C2 ZINC000023282323 632769758 /nfs/dbraw/zinc/76/97/58/632769758.db2.gz JQGJQPVUHUOZCA-MRXNPFEDSA-N 2 2 242.366 2.139 50 0 BEAALP c1ccc2c(c1)CC[N@@H+]([C@H]1C[NH+]3CCC1CC3)C2 ZINC000023282321 632771568 /nfs/dbraw/zinc/77/15/68/632771568.db2.gz JQGJQPVUHUOZCA-INIZCTEOSA-N 2 2 242.366 2.139 50 0 BEAALP c1ccc2c(c1)CC[N@H+]([C@H]1C[NH+]3CCC1CC3)C2 ZINC000023282321 632771571 /nfs/dbraw/zinc/77/15/71/632771571.db2.gz JQGJQPVUHUOZCA-INIZCTEOSA-N 2 2 242.366 2.139 50 0 BEAALP C[NH+](C)[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000019772665 342957131 /nfs/dbraw/zinc/95/71/31/342957131.db2.gz SWLFIBVORKOVPK-JTQLQIEISA-N 2 2 232.249 2.267 50 0 BEAALP CCOc1ccc([C@@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000032522366 343237021 /nfs/dbraw/zinc/23/70/21/343237021.db2.gz IHSRNHAQSLSZON-CQSZACIVSA-N 2 2 234.343 2.181 50 0 BEAALP CCC[N@H+](CC1CC1)C1CC[NH+](C)CC1 ZINC000000227192 343269198 /nfs/dbraw/zinc/26/91/98/343269198.db2.gz UPJBESQOVGIBRA-UHFFFAOYSA-N 2 2 210.365 2.203 50 0 BEAALP CCC[N@@H+](CC1CC1)C1CC[NH+](C)CC1 ZINC000000227192 343269200 /nfs/dbraw/zinc/26/92/00/343269200.db2.gz UPJBESQOVGIBRA-UHFFFAOYSA-N 2 2 210.365 2.203 50 0 BEAALP [NH3+][C@@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000038192988 343372895 /nfs/dbraw/zinc/37/28/95/343372895.db2.gz PONXTPCRRASWKW-KBPBESRZSA-N 2 2 212.296 2.386 50 0 BEAALP CC(C)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200658 344162792 /nfs/dbraw/zinc/16/27/92/344162792.db2.gz HIBZCRLCPICSIH-ZDUSSCGKSA-N 2 2 233.359 2.471 50 0 BEAALP CC(C)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200658 344162794 /nfs/dbraw/zinc/16/27/94/344162794.db2.gz HIBZCRLCPICSIH-ZDUSSCGKSA-N 2 2 233.359 2.471 50 0 BEAALP CC[NH+]1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000000217535 344644504 /nfs/dbraw/zinc/64/45/04/344644504.db2.gz YSAIQQSHXCDIOE-UHFFFAOYSA-N 2 2 236.334 2.400 50 0 BEAALP Cc1ccccc1C[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000019946082 179284787 /nfs/dbraw/zinc/28/47/87/179284787.db2.gz WNQLEIVPEWRPDL-OAHLLOKOSA-N 2 2 230.355 2.179 50 0 BEAALP Cc1[nH]c(C[N@@H+]2CCCC3(CCOCC3)C2)c[nH+]1 ZINC000097532353 180144155 /nfs/dbraw/zinc/14/41/55/180144155.db2.gz IGHLMZVLIYFEIC-UHFFFAOYSA-N 2 2 249.358 2.111 50 0 BEAALP Cc1[nH]c(C[N@H+]2CCCC3(CCOCC3)C2)c[nH+]1 ZINC000097532353 180144158 /nfs/dbraw/zinc/14/41/58/180144158.db2.gz IGHLMZVLIYFEIC-UHFFFAOYSA-N 2 2 249.358 2.111 50 0 BEAALP Cc1[nH+]ccn1CCCNc1cccc[nH+]1 ZINC000078333558 180248615 /nfs/dbraw/zinc/24/86/15/180248615.db2.gz YTOXKMKCTSMPRU-UHFFFAOYSA-N 2 2 216.288 2.089 50 0 BEAALP [NH3+]C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000011729467 181345090 /nfs/dbraw/zinc/34/50/90/181345090.db2.gz JOJVQMGXUOSEMA-UHFFFAOYSA-N 2 2 224.735 2.263 50 0 BEAALP C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000090502770 384055219 /nfs/dbraw/zinc/05/52/19/384055219.db2.gz NVKDDQBZODSEIN-TZMCWYRMSA-N 2 2 218.344 2.116 50 0 BEAALP C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000090502770 384055224 /nfs/dbraw/zinc/05/52/24/384055224.db2.gz NVKDDQBZODSEIN-TZMCWYRMSA-N 2 2 218.344 2.116 50 0 BEAALP c1cn(CC2CCC2)c(C2CC[NH2+]CC2)[nH+]1 ZINC000096032235 384422459 /nfs/dbraw/zinc/42/24/59/384422459.db2.gz KDUHPKWZJPGQRP-UHFFFAOYSA-N 2 2 219.332 2.150 50 0 BEAALP [NH3+]C[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000019342948 384514865 /nfs/dbraw/zinc/51/48/65/384514865.db2.gz XOGNXYLXQMWUGN-JTQLQIEISA-N 2 2 210.346 2.234 50 0 BEAALP c1ccc(N2CCC([NH+]3CCCC3)CC2)[nH+]c1 ZINC000079270469 384717140 /nfs/dbraw/zinc/71/71/40/384717140.db2.gz VCQKNBFFAKKOBB-UHFFFAOYSA-N 2 2 231.343 2.146 50 0 BEAALP c1[nH]cc(CC[NH2+][C@@H]2CCc3ccccc3C2)[nH+]1 ZINC000000757692 384989949 /nfs/dbraw/zinc/98/99/49/384989949.db2.gz PDNNRMXYGUPEBA-CQSZACIVSA-N 2 2 241.338 2.099 50 0 BEAALP c1[nH]c(CC[NH2+][C@@H]2CCc3ccccc3C2)c[nH+]1 ZINC000000757692 384989956 /nfs/dbraw/zinc/98/99/56/384989956.db2.gz PDNNRMXYGUPEBA-CQSZACIVSA-N 2 2 241.338 2.099 50 0 BEAALP Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000065533949 385322397 /nfs/dbraw/zinc/32/23/97/385322397.db2.gz DVRWZJMGNNVRCO-NEPJUHHUSA-N 2 2 236.384 2.383 50 0 BEAALP Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000065533949 385322402 /nfs/dbraw/zinc/32/24/02/385322402.db2.gz DVRWZJMGNNVRCO-NEPJUHHUSA-N 2 2 236.384 2.383 50 0 BEAALP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000050245185 386731572 /nfs/dbraw/zinc/73/15/72/386731572.db2.gz CNBNKFRTLCWHHZ-MRVPVSSYSA-N 2 2 230.764 2.182 50 0 BEAALP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000050245185 386731581 /nfs/dbraw/zinc/73/15/81/386731581.db2.gz CNBNKFRTLCWHHZ-MRVPVSSYSA-N 2 2 230.764 2.182 50 0 BEAALP Cc1c[nH+]c(CNc2ccc(C)[nH+]c2C)n1C ZINC000341339651 386885544 /nfs/dbraw/zinc/88/55/44/386885544.db2.gz AEDKIOLLJSYWNV-UHFFFAOYSA-N 2 2 230.315 2.352 50 0 BEAALP COc1ccc(/C=C/C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000426632890 387583196 /nfs/dbraw/zinc/58/31/96/387583196.db2.gz OIPUQCITALSRDG-PMUGQKEBSA-N 2 2 246.354 2.132 50 0 BEAALP COc1ccc(/C=C/C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000426632890 387583199 /nfs/dbraw/zinc/58/31/99/387583199.db2.gz OIPUQCITALSRDG-PMUGQKEBSA-N 2 2 246.354 2.132 50 0 BEAALP Cc1ccoc1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000089701981 388361765 /nfs/dbraw/zinc/36/17/65/388361765.db2.gz OBQKZZXBTFCPNC-GFCCVEGCSA-N 2 2 245.326 2.452 50 0 BEAALP C[NH2+][C@@H]1CC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000108480952 388624073 /nfs/dbraw/zinc/62/40/73/388624073.db2.gz HEGQPHRJUUZQNJ-UKRRQHHQSA-N 2 2 232.371 2.159 50 0 BEAALP C[NH2+][C@@H]1CC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000108480952 388624076 /nfs/dbraw/zinc/62/40/76/388624076.db2.gz HEGQPHRJUUZQNJ-UKRRQHHQSA-N 2 2 232.371 2.159 50 0 BEAALP C[NH2+]C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000037537187 132344695 /nfs/dbraw/zinc/34/46/95/132344695.db2.gz VZWMRSZIRKKZOF-UHFFFAOYSA-N 2 2 248.374 2.097 50 0 BEAALP c1cn(C2CCN(c3cccc[nH+]3)CC2)c[nH+]1 ZINC000071899531 132395806 /nfs/dbraw/zinc/39/58/06/132395806.db2.gz KINASOCGIKTNRU-UHFFFAOYSA-N 2 2 228.299 2.120 50 0 BEAALP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CCCC[NH2+]1 ZINC000038971039 177116699 /nfs/dbraw/zinc/11/66/99/177116699.db2.gz QPCPEWNGTUGRKV-XQQFMLRXSA-N 2 2 210.365 2.391 50 0 BEAALP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CCCC[NH2+]1 ZINC000038971039 177116700 /nfs/dbraw/zinc/11/67/00/177116700.db2.gz QPCPEWNGTUGRKV-XQQFMLRXSA-N 2 2 210.365 2.391 50 0 BEAALP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@@H+]1C ZINC000089927759 177334878 /nfs/dbraw/zinc/33/48/78/177334878.db2.gz CVSGAHKFSQPRPO-XQHKEYJVSA-N 2 2 210.365 2.247 50 0 BEAALP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@H+]1C ZINC000089927759 177334880 /nfs/dbraw/zinc/33/48/80/177334880.db2.gz CVSGAHKFSQPRPO-XQHKEYJVSA-N 2 2 210.365 2.247 50 0 BEAALP CC[N@H+](C)C[C@@H](C)[NH2+]CCCOC1CCCC1 ZINC001506425782 988784048 /nfs/dbraw/zinc/78/40/48/988784048.db2.gz GIFOIBOLWAUSOP-CYBMUJFWSA-N 2 2 242.407 2.266 50 0 BEAALP CC[N@@H+](C)C[C@@H](C)[NH2+]CCCOC1CCCC1 ZINC001506425782 988784061 /nfs/dbraw/zinc/78/40/61/988784061.db2.gz GIFOIBOLWAUSOP-CYBMUJFWSA-N 2 2 242.407 2.266 50 0 BEAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)cc1 ZINC000019527247 342951055 /nfs/dbraw/zinc/95/10/55/342951055.db2.gz JEWOBTHTAMVEAQ-CQSZACIVSA-N 2 2 248.370 2.269 50 0 BEAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)cc1 ZINC000019527247 342951056 /nfs/dbraw/zinc/95/10/56/342951056.db2.gz JEWOBTHTAMVEAQ-CQSZACIVSA-N 2 2 248.370 2.269 50 0 BEAALP Fc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126719 342970682 /nfs/dbraw/zinc/97/06/82/342970682.db2.gz ARXCKHJSJGMVHC-UHFFFAOYSA-N 2 2 222.307 2.011 50 0 BEAALP C[C@H](Cc1ccccc1)[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000019946839 342964189 /nfs/dbraw/zinc/96/41/89/342964189.db2.gz SDICWGCMDSZILV-CJNGLKHVSA-N 2 2 244.382 2.301 50 0 BEAALP C[NH+](C)[C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000021948261 343028824 /nfs/dbraw/zinc/02/88/24/343028824.db2.gz WSFINPCMQGMMKB-SNVBAGLBSA-N 2 2 232.249 2.267 50 0 BEAALP CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC[NH2+]1 ZINC000032012423 343228307 /nfs/dbraw/zinc/22/83/07/343228307.db2.gz NTFVIIAEJUAUIK-QWHCGFSZSA-N 2 2 210.365 2.393 50 0 BEAALP CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC[NH2+]1 ZINC000032012423 343228309 /nfs/dbraw/zinc/22/83/09/343228309.db2.gz NTFVIIAEJUAUIK-QWHCGFSZSA-N 2 2 210.365 2.393 50 0 BEAALP Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000000278935 343269501 /nfs/dbraw/zinc/26/95/01/343269501.db2.gz TUWZUQUQIZGJFL-UHFFFAOYSA-N 2 2 222.332 2.114 50 0 BEAALP Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000000278935 343269503 /nfs/dbraw/zinc/26/95/03/343269503.db2.gz TUWZUQUQIZGJFL-UHFFFAOYSA-N 2 2 222.332 2.114 50 0 BEAALP Cc1cccc(OC[C@@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000071315242 179171711 /nfs/dbraw/zinc/17/17/11/179171711.db2.gz WWJYQUSUYWAJCI-CQSZACIVSA-N 2 2 248.370 2.045 50 0 BEAALP Cc1cccc(OC[C@@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000071315242 179171713 /nfs/dbraw/zinc/17/17/13/179171713.db2.gz WWJYQUSUYWAJCI-CQSZACIVSA-N 2 2 248.370 2.045 50 0 BEAALP Cc1nc(N[C@@H]2CC[C@@H]([NH3+])C2)cc(C(C)C)[nH+]1 ZINC000067881418 180023994 /nfs/dbraw/zinc/02/39/94/180023994.db2.gz PNZLFDHBUJSPBT-GHMZBOCLSA-N 2 2 234.347 2.200 50 0 BEAALP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[NH2+]1 ZINC000043495927 180103803 /nfs/dbraw/zinc/10/38/03/180103803.db2.gz JTIXTBNEEVXQSA-LLVKDONJSA-N 2 2 215.300 2.097 50 0 BEAALP Cc1[nH+]c2ccccc2n1CC1CC[NH2+]CC1 ZINC000043497784 180104478 /nfs/dbraw/zinc/10/44/78/180104478.db2.gz DAIPDQVHELDJIC-UHFFFAOYSA-N 2 2 229.327 2.344 50 0 BEAALP Cc1[nH+]cn(Cc2cn3ccccc3[nH+]2)c1C ZINC000079090684 180289127 /nfs/dbraw/zinc/28/91/27/180289127.db2.gz ZJKIFZQPIVVJGF-UHFFFAOYSA-N 2 2 226.283 2.196 50 0 BEAALP Cc1ccc(NC(=O)[C@@H]([NH3+])CCC(C)C)c(C)[nH+]1 ZINC000638072988 351945472 /nfs/dbraw/zinc/94/54/72/351945472.db2.gz ATVMGFZBSCFAHG-LBPRGKRZSA-N 2 2 249.358 2.400 50 0 BEAALP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccncc2)C1 ZINC000079014968 169078082 /nfs/dbraw/zinc/07/80/82/169078082.db2.gz IVPPKMKBFCXONL-OAHLLOKOSA-N 2 2 247.386 2.245 50 0 BEAALP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccncc2)C1 ZINC000079014968 169078084 /nfs/dbraw/zinc/07/80/84/169078084.db2.gz IVPPKMKBFCXONL-OAHLLOKOSA-N 2 2 247.386 2.245 50 0 BEAALP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000079014968 169078088 /nfs/dbraw/zinc/07/80/88/169078088.db2.gz IVPPKMKBFCXONL-OAHLLOKOSA-N 2 2 247.386 2.245 50 0 BEAALP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000079014968 169078090 /nfs/dbraw/zinc/07/80/90/169078090.db2.gz IVPPKMKBFCXONL-OAHLLOKOSA-N 2 2 247.386 2.245 50 0 BEAALP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1nccs1 ZINC000097373861 384176312 /nfs/dbraw/zinc/17/63/12/384176312.db2.gz XZPKDBKEFWOEQE-JTQLQIEISA-N 2 2 236.344 2.081 50 0 BEAALP [NH3+]C[C@H](c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000042947305 384255850 /nfs/dbraw/zinc/25/58/50/384255850.db2.gz ZPGHKIHSABSGNS-LLVKDONJSA-N 2 2 221.691 2.085 50 0 BEAALP [NH3+]C[C@@H](c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000042947308 384257088 /nfs/dbraw/zinc/25/70/88/384257088.db2.gz ZPGHKIHSABSGNS-NSHDSACASA-N 2 2 221.691 2.085 50 0 BEAALP c1coc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)c1 ZINC000084432779 384397902 /nfs/dbraw/zinc/39/79/02/384397902.db2.gz HSRGJVOEQOMLFN-LLVKDONJSA-N 2 2 231.299 2.143 50 0 BEAALP c1cn(CCC[NH2+]C[C@@H]2CC=CCC2)c[nH+]1 ZINC000049947050 384580502 /nfs/dbraw/zinc/58/05/02/384580502.db2.gz PNJMXWRDRVOQKU-CYBMUJFWSA-N 2 2 219.332 2.219 50 0 BEAALP C[NH2+][C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000053203828 384773080 /nfs/dbraw/zinc/77/30/80/384773080.db2.gz FNSVDRGNYBBUHT-OAHLLOKOSA-N 2 2 232.371 2.303 50 0 BEAALP C[NH2+][C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000053203828 384773087 /nfs/dbraw/zinc/77/30/87/384773087.db2.gz FNSVDRGNYBBUHT-OAHLLOKOSA-N 2 2 232.371 2.303 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1COC(C)(C)C1 ZINC000397533442 385642892 /nfs/dbraw/zinc/64/28/92/385642892.db2.gz IINLPAXHUCPBTF-CYBMUJFWSA-N 2 2 234.343 2.090 50 0 BEAALP CC1CC[NH+]([C@H](C[NH3+])c2cccs2)CC1 ZINC000019795719 168187555 /nfs/dbraw/zinc/18/75/55/168187555.db2.gz HJPGNUUFVKJORI-LLVKDONJSA-N 2 2 224.373 2.480 50 0 BEAALP CC[C@H](C)[N@H+](CC[NH3+])Cc1cccs1 ZINC000032012713 171314571 /nfs/dbraw/zinc/31/45/71/171314571.db2.gz VVHRJYAVEIGZKV-JTQLQIEISA-N 2 2 212.362 2.307 50 0 BEAALP CC[C@H](C)[N@@H+](CC[NH3+])Cc1cccs1 ZINC000032012713 171314575 /nfs/dbraw/zinc/31/45/75/171314575.db2.gz VVHRJYAVEIGZKV-JTQLQIEISA-N 2 2 212.362 2.307 50 0 BEAALP CCn1cccc/c1=[NH+]\c1cccc[n+]1CC ZINC000004764542 172203530 /nfs/dbraw/zinc/20/35/30/172203530.db2.gz ZNLVTKVACWJYMG-UHFFFAOYSA-N 2 2 228.319 2.048 50 0 BEAALP CCc1ccccc1OCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000534589614 323154434 /nfs/dbraw/zinc/15/44/34/323154434.db2.gz HQOLSWKBGBECLZ-CQSZACIVSA-N 2 2 248.370 2.051 50 0 BEAALP CCc1ccccc1OCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000534589614 323154435 /nfs/dbraw/zinc/15/44/35/323154435.db2.gz HQOLSWKBGBECLZ-CQSZACIVSA-N 2 2 248.370 2.051 50 0 BEAALP CCCc1c[nH+]c(C)nc1NC1(C)CC[NH2+]CC1 ZINC000534670174 323158699 /nfs/dbraw/zinc/15/86/99/323158699.db2.gz ZMXKRBKQYCGYDY-UHFFFAOYSA-N 2 2 248.374 2.292 50 0 BEAALP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+][C@@H](C)CC[C@@H]1[NH3+] ZINC000757216389 586441286 /nfs/dbraw/zinc/44/12/86/586441286.db2.gz ZUJFFVRGYFWLPQ-NURSFMCSSA-N 2 2 244.342 2.012 50 0 BEAALP Cc1c[nH+]c(-c2ccccc2)n1C[C@@H]1CC[NH2+]C1 ZINC000169793063 711835077 /nfs/dbraw/zinc/83/50/77/711835077.db2.gz UAPMQCUMECQWHR-CYBMUJFWSA-N 2 2 241.338 2.468 50 0 BEAALP Cn1cc[nH+]c1CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001506402507 988774426 /nfs/dbraw/zinc/77/44/26/988774426.db2.gz NXALHAXLWWDIKD-UONOGXRCSA-N 2 2 247.386 2.475 50 0 BEAALP Cn1cc[nH+]c1CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001506402507 988774429 /nfs/dbraw/zinc/77/44/29/988774429.db2.gz NXALHAXLWWDIKD-UONOGXRCSA-N 2 2 247.386 2.475 50 0 BEAALP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000097098511 398224368 /nfs/dbraw/zinc/22/43/68/398224368.db2.gz HYQGDGLMTBINIF-KBPBESRZSA-N 2 2 233.359 2.465 50 0 BEAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C)C1 ZINC000170596079 361773853 /nfs/dbraw/zinc/77/38/53/361773853.db2.gz KEZVHVUUXBMNCH-GFCCVEGCSA-N 2 2 221.348 2.177 50 0 BEAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C)C1 ZINC000170596079 361773860 /nfs/dbraw/zinc/77/38/60/361773860.db2.gz KEZVHVUUXBMNCH-GFCCVEGCSA-N 2 2 221.348 2.177 50 0 BEAALP [NH3+]C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000083426011 398281522 /nfs/dbraw/zinc/28/15/22/398281522.db2.gz BZSQHIHHSWIKKO-ZDUSSCGKSA-N 2 2 204.317 2.172 50 0 BEAALP CCC(CC)[NH2+][C@H](CC)Cn1cc[nH+]c1 ZINC000065397127 168392720 /nfs/dbraw/zinc/39/27/20/168392720.db2.gz JOKPLPNMZKXACG-GFCCVEGCSA-N 2 2 209.337 2.440 50 0 BEAALP C[NH+](C)[C@@H](C[NH3+])c1cccc2ccccc21 ZINC000019255418 342944729 /nfs/dbraw/zinc/94/47/29/342944729.db2.gz MZFYSDVTOUQHHF-AWEZNQCLSA-N 2 2 214.312 2.401 50 0 BEAALP C[NH+](C)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000019861914 342959839 /nfs/dbraw/zinc/95/98/39/342959839.db2.gz OYMFXONHTUORJI-SNVBAGLBSA-N 2 2 243.148 2.011 50 0 BEAALP Cc1ccccc1[C@@H](C[NH3+])[NH+]1CCCC1 ZINC000038638679 343377976 /nfs/dbraw/zinc/37/79/76/343377976.db2.gz YNHQWQAKKVJUNM-CYBMUJFWSA-N 2 2 204.317 2.091 50 0 BEAALP Cc1ccc([C@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000038638675 343378091 /nfs/dbraw/zinc/37/80/91/343378091.db2.gz RXHOQWINKPWMFD-AWEZNQCLSA-N 2 2 218.344 2.481 50 0 BEAALP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C[NH+]1CCCC1 ZINC000039794766 343392640 /nfs/dbraw/zinc/39/26/40/343392640.db2.gz QOEMWGVGAUPHIX-ZDUSSCGKSA-N 2 2 243.354 2.134 50 0 BEAALP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295566929 180252343 /nfs/dbraw/zinc/25/23/43/180252343.db2.gz YJIDGUHVYYPSDE-GFCCVEGCSA-N 2 2 225.311 2.016 50 0 BEAALP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@](C)(F)C1 ZINC000295566929 180252345 /nfs/dbraw/zinc/25/23/45/180252345.db2.gz YJIDGUHVYYPSDE-GFCCVEGCSA-N 2 2 225.311 2.016 50 0 BEAALP CC(C)[N@@H+]1CC[C@H](C[NH+](C)Cc2ccoc2)C1 ZINC000252488397 188369901 /nfs/dbraw/zinc/36/99/01/188369901.db2.gz IRBROWHELPRSAK-CYBMUJFWSA-N 2 2 236.359 2.442 50 0 BEAALP CC(C)[N@H+]1CC[C@H](C[NH+](C)Cc2ccoc2)C1 ZINC000252488397 188369903 /nfs/dbraw/zinc/36/99/03/188369903.db2.gz IRBROWHELPRSAK-CYBMUJFWSA-N 2 2 236.359 2.442 50 0 BEAALP CC(C)[NH+]1CC[C@H](C[N@H+](C)Cc2ccoc2)C1 ZINC000252488397 188369905 /nfs/dbraw/zinc/36/99/05/188369905.db2.gz IRBROWHELPRSAK-CYBMUJFWSA-N 2 2 236.359 2.442 50 0 BEAALP CC(C)[NH+]1CC[C@H](C[N@@H+](C)Cc2ccoc2)C1 ZINC000252488397 188369907 /nfs/dbraw/zinc/36/99/07/188369907.db2.gz IRBROWHELPRSAK-CYBMUJFWSA-N 2 2 236.359 2.442 50 0 BEAALP C(C1CCCCC1)[C@H]1C[N@@H+]2CCC[C@H]2C[NH2+]1 ZINC000072233366 356374731 /nfs/dbraw/zinc/37/47/31/356374731.db2.gz RIAREDYVACQVIT-KBPBESRZSA-N 2 2 222.376 2.393 50 0 BEAALP C(C1CCCCC1)[C@H]1C[N@H+]2CCC[C@H]2C[NH2+]1 ZINC000072233366 356374735 /nfs/dbraw/zinc/37/47/35/356374735.db2.gz RIAREDYVACQVIT-KBPBESRZSA-N 2 2 222.376 2.393 50 0 BEAALP C(C[NH+]1CCCCCC1)[NH2+]C1CCCC1 ZINC000037404201 364000383 /nfs/dbraw/zinc/00/03/83/364000383.db2.gz LCRHMTNDIXXUDE-UHFFFAOYSA-N 2 2 210.365 2.395 50 0 BEAALP [NH3+]CC[N@@H+]1CCCC[C@H]1CCc1cccs1 ZINC000067691595 181391538 /nfs/dbraw/zinc/39/15/38/181391538.db2.gz CKIFXCRWLDUVCB-LBPRGKRZSA-N 2 2 238.400 2.494 50 0 BEAALP [NH3+]CC[N@H+]1CCCC[C@H]1CCc1cccs1 ZINC000067691595 181391540 /nfs/dbraw/zinc/39/15/40/181391540.db2.gz CKIFXCRWLDUVCB-LBPRGKRZSA-N 2 2 238.400 2.494 50 0 BEAALP CCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000065487809 169207152 /nfs/dbraw/zinc/20/71/52/169207152.db2.gz RVXZWQLWNHNJPN-LBPRGKRZSA-N 2 2 219.332 2.225 50 0 BEAALP CCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000065487809 169207154 /nfs/dbraw/zinc/20/71/54/169207154.db2.gz RVXZWQLWNHNJPN-LBPRGKRZSA-N 2 2 219.332 2.225 50 0 BEAALP CCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000065487806 169208146 /nfs/dbraw/zinc/20/81/46/169208146.db2.gz RVXZWQLWNHNJPN-GFCCVEGCSA-N 2 2 219.332 2.225 50 0 BEAALP CCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000065487806 169208148 /nfs/dbraw/zinc/20/81/48/169208148.db2.gz RVXZWQLWNHNJPN-GFCCVEGCSA-N 2 2 219.332 2.225 50 0 BEAALP Cc1cc[nH+]c(N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000091453493 383918643 /nfs/dbraw/zinc/91/86/43/383918643.db2.gz XQZVPCHTUZXNPP-AWEZNQCLSA-N 2 2 245.370 2.455 50 0 BEAALP Fc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000160363659 384405183 /nfs/dbraw/zinc/40/51/83/384405183.db2.gz YMHVVHGMGABWQY-UKRRQHHQSA-N 2 2 248.345 2.400 50 0 BEAALP Fc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000160363659 384405189 /nfs/dbraw/zinc/40/51/89/384405189.db2.gz YMHVVHGMGABWQY-UKRRQHHQSA-N 2 2 248.345 2.400 50 0 BEAALP c1ccc2[nH+]c(CC3CC[NH2+]CC3)[nH]c2c1 ZINC000015423951 384432553 /nfs/dbraw/zinc/43/25/53/384432553.db2.gz AJDJDMWYUXQCIF-UHFFFAOYSA-N 2 2 215.300 2.105 50 0 BEAALP [NH3+]C[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000019342945 384516422 /nfs/dbraw/zinc/51/64/22/384516422.db2.gz XOGNXYLXQMWUGN-SNVBAGLBSA-N 2 2 210.346 2.234 50 0 BEAALP [NH3+]C[C@H](c1c[nH]c2ccccc12)[NH+]1CCCC1 ZINC000019779371 384537953 /nfs/dbraw/zinc/53/79/53/384537953.db2.gz HDFMTMKGSKNKOH-CQSZACIVSA-N 2 2 229.327 2.264 50 0 BEAALP c1cn(C[C@H]2CCC[N@@H+]2Cc2cscn2)c[nH+]1 ZINC000188398197 384949258 /nfs/dbraw/zinc/94/92/58/384949258.db2.gz WQYWCXMFVVVZIN-GFCCVEGCSA-N 2 2 248.355 2.004 50 0 BEAALP c1cn(C[C@H]2CCC[N@H+]2Cc2cscn2)c[nH+]1 ZINC000188398197 384949264 /nfs/dbraw/zinc/94/92/64/384949264.db2.gz WQYWCXMFVVVZIN-GFCCVEGCSA-N 2 2 248.355 2.004 50 0 BEAALP C[C@@H]1CCCC[C@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000119999346 385135495 /nfs/dbraw/zinc/13/54/95/385135495.db2.gz ANXANKBEWPXVKS-CHWSQXEVSA-N 2 2 221.348 2.394 50 0 BEAALP C[C@@H]1CCCC[C@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000119999346 385135500 /nfs/dbraw/zinc/13/55/00/385135500.db2.gz ANXANKBEWPXVKS-CHWSQXEVSA-N 2 2 221.348 2.394 50 0 BEAALP C[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000034040493 385273951 /nfs/dbraw/zinc/27/39/51/385273951.db2.gz NVKDDQBZODSEIN-JSGCOSHPSA-N 2 2 218.344 2.116 50 0 BEAALP C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000034040493 385273957 /nfs/dbraw/zinc/27/39/57/385273957.db2.gz NVKDDQBZODSEIN-JSGCOSHPSA-N 2 2 218.344 2.116 50 0 BEAALP Clc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000053148130 387512942 /nfs/dbraw/zinc/51/29/42/387512942.db2.gz JBIRPGGQBQODJX-LBPRGKRZSA-N 2 2 224.735 2.182 50 0 BEAALP COc1ccc(/C=C/C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000426632889 387583043 /nfs/dbraw/zinc/58/30/43/387583043.db2.gz OIPUQCITALSRDG-KWEXDPCDSA-N 2 2 246.354 2.132 50 0 BEAALP COc1ccc(/C=C/C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000426632889 387583048 /nfs/dbraw/zinc/58/30/48/387583048.db2.gz OIPUQCITALSRDG-KWEXDPCDSA-N 2 2 246.354 2.132 50 0 BEAALP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000037786243 166609150 /nfs/dbraw/zinc/60/91/50/166609150.db2.gz ZSLFWVFESMZHGV-UHFFFAOYSA-N 2 2 247.386 2.434 50 0 BEAALP C[NH+](C)CCCOc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000067934526 172445376 /nfs/dbraw/zinc/44/53/76/172445376.db2.gz PDDTWPGAXGIKAG-UHFFFAOYSA-N 2 2 245.326 2.407 50 0 BEAALP COc1ccccc1[C@H](C[NH3+])[NH+]1CCCCC1 ZINC000038341994 175353235 /nfs/dbraw/zinc/35/32/35/175353235.db2.gz PCQCMHDWEYJAET-ZDUSSCGKSA-N 2 2 234.343 2.181 50 0 BEAALP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H]1CCCC[NH2+]1 ZINC000245204302 176116572 /nfs/dbraw/zinc/11/65/72/176116572.db2.gz QPCPEWNGTUGRKV-JHJVBQTASA-N 2 2 210.365 2.391 50 0 BEAALP C[C@@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000002498971 176123540 /nfs/dbraw/zinc/12/35/40/176123540.db2.gz AGKNKMPCTVCZLF-CHWSQXEVSA-N 2 2 221.348 2.442 50 0 BEAALP C[C@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000002498968 177123004 /nfs/dbraw/zinc/12/30/04/177123004.db2.gz AGKNKMPCTVCZLF-QWHCGFSZSA-N 2 2 221.348 2.442 50 0 BEAALP C[C@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000002498973 177137163 /nfs/dbraw/zinc/13/71/63/177137163.db2.gz AGKNKMPCTVCZLF-STQMWFEESA-N 2 2 221.348 2.442 50 0 BEAALP CC(C)c1nc(NCCCn2cc[nH+]c2)cc[nH+]1 ZINC000091424862 519878724 /nfs/dbraw/zinc/87/87/24/519878724.db2.gz DOLWBQMYFXYWJW-UHFFFAOYSA-N 2 2 245.330 2.299 50 0 BEAALP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+][C@@H](C)CC[C@H]1[NH3+] ZINC000757209964 586438389 /nfs/dbraw/zinc/43/83/89/586438389.db2.gz GXBAVSKODBFGCM-BHYNMZESSA-N 2 2 244.342 2.012 50 0 BEAALP C(C1CC1)[N@@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC000095394095 187325321 /nfs/dbraw/zinc/32/53/21/187325321.db2.gz GNAXGVUFVGSBNZ-ZDUSSCGKSA-N 2 2 208.349 2.003 50 0 BEAALP C(C1CC1)[N@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC000095394095 187325323 /nfs/dbraw/zinc/32/53/23/187325323.db2.gz GNAXGVUFVGSBNZ-ZDUSSCGKSA-N 2 2 208.349 2.003 50 0 BEAALP Cc1cc(NCCC[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000004087987 178159602 /nfs/dbraw/zinc/15/96/02/178159602.db2.gz ZDJXRPWCTAAVRO-UHFFFAOYSA-N 2 2 236.363 2.272 50 0 BEAALP CC[NH+](CC)CC1(Nc2cc[nH+]c(C)n2)CC1 ZINC000584901924 342713866 /nfs/dbraw/zinc/71/38/66/342713866.db2.gz SCTSGAFTJHANAI-UHFFFAOYSA-N 2 2 234.347 2.071 50 0 BEAALP CCOc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000019823498 342958726 /nfs/dbraw/zinc/95/87/26/342958726.db2.gz DAJYCBWDMVKAEZ-UHFFFAOYSA-N 2 2 248.370 2.271 50 0 BEAALP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000022942153 343057060 /nfs/dbraw/zinc/05/70/60/343057060.db2.gz QPMFCOOSBGLJNO-LLVKDONJSA-N 2 2 244.260 2.238 50 0 BEAALP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000022942153 343057062 /nfs/dbraw/zinc/05/70/62/343057062.db2.gz QPMFCOOSBGLJNO-LLVKDONJSA-N 2 2 244.260 2.238 50 0 BEAALP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000041042008 191063396 /nfs/dbraw/zinc/06/33/96/191063396.db2.gz TWPZMMIDJVNXRY-GFCCVEGCSA-N 2 2 215.300 2.234 50 0 BEAALP Cc1nc(NC[C@H](C(C)C)[NH+]2CCCC2)cc[nH+]1 ZINC000266193370 180200889 /nfs/dbraw/zinc/20/08/89/180200889.db2.gz ZHEBIOKEPOUPNE-CYBMUJFWSA-N 2 2 248.374 2.317 50 0 BEAALP CC(C)Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000094901286 188050162 /nfs/dbraw/zinc/05/01/62/188050162.db2.gz YUMINKNFIQJCTP-HNNXBMFYSA-N 2 2 232.371 2.418 50 0 BEAALP CC(C)Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000094901286 188050164 /nfs/dbraw/zinc/05/01/64/188050164.db2.gz YUMINKNFIQJCTP-HNNXBMFYSA-N 2 2 232.371 2.418 50 0 BEAALP C[NH2+][C@@H]1CC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000221909997 188357258 /nfs/dbraw/zinc/35/72/58/188357258.db2.gz HEGQPHRJUUZQNJ-DZGCQCFKSA-N 2 2 232.371 2.159 50 0 BEAALP NC(=[NH2+])SCCCc1[nH]c2ccccc2[nH+]1 ZINC000020462992 181192044 /nfs/dbraw/zinc/19/20/44/181192044.db2.gz QCPYPWAEAHGXBE-UHFFFAOYSA-N 2 2 234.328 2.122 50 0 BEAALP C[C@@H](CCc1ccccc1)[NH2+]CC[NH+](C)C ZINC000022027715 357056636 /nfs/dbraw/zinc/05/66/36/357056636.db2.gz ARICIRXKQDKQEW-ZDUSSCGKSA-N 2 2 220.360 2.159 50 0 BEAALP [NH3+]CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000037712569 181395661 /nfs/dbraw/zinc/39/56/61/181395661.db2.gz PRVZYDDRMVHWOS-UHFFFAOYSA-N 2 2 226.323 2.324 50 0 BEAALP c1cncc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000000858703 383884228 /nfs/dbraw/zinc/88/42/28/383884228.db2.gz KBVCQDGHFSMKHT-UHFFFAOYSA-N 2 2 245.370 2.142 50 0 BEAALP C[NH+](C)CCCOc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000067967269 383962289 /nfs/dbraw/zinc/96/22/89/383962289.db2.gz PFHJRGVEYGOPCE-UHFFFAOYSA-N 2 2 245.326 2.407 50 0 BEAALP [NH3+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000091684259 384139162 /nfs/dbraw/zinc/13/91/62/384139162.db2.gz PONXTPCRRASWKW-ZIAGYGMSSA-N 2 2 212.296 2.386 50 0 in-vivo BEAALP c1cn(C[C@@H]2CCC[NH2+]2)c(-c2ccsc2)[nH+]1 ZINC000072453943 384223851 /nfs/dbraw/zinc/22/38/51/384223851.db2.gz MNOMUKSLODWFRP-NSHDSACASA-N 2 2 233.340 2.364 50 0 BEAALP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1c(C)noc1C ZINC000097111102 384374030 /nfs/dbraw/zinc/37/40/30/384374030.db2.gz RFYCFBKSRKBLJX-LBPRGKRZSA-N 2 2 248.330 2.229 50 0 BEAALP [NH3+]C[C@H](c1ccco1)[NH+]1CCCCCC1 ZINC000019702319 384533618 /nfs/dbraw/zinc/53/36/18/384533618.db2.gz LKCYAUMUKKLMBY-LLVKDONJSA-N 2 2 208.305 2.155 50 0 BEAALP CC[N@H+](C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000020073342 384571861 /nfs/dbraw/zinc/57/18/61/384571861.db2.gz KYSMEIDAADLRAM-GFCCVEGCSA-N 2 2 210.365 2.393 50 0 BEAALP CC[N@@H+](C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000020073342 384571884 /nfs/dbraw/zinc/57/18/84/384571884.db2.gz KYSMEIDAADLRAM-GFCCVEGCSA-N 2 2 210.365 2.393 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000271479664 384735756 /nfs/dbraw/zinc/73/57/56/384735756.db2.gz ISWBWBNTMQYVEX-UKRRQHHQSA-N 3 2 247.386 2.005 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000271479664 384735759 /nfs/dbraw/zinc/73/57/59/384735759.db2.gz ISWBWBNTMQYVEX-UKRRQHHQSA-N 3 2 247.386 2.005 50 0 BEAALP C[C@@H](C[NH2+]C1CCCCC1)Cn1cc[nH+]c1 ZINC000164466088 384995519 /nfs/dbraw/zinc/99/55/19/384995519.db2.gz RNZXPPDKYHFXAX-LBPRGKRZSA-N 2 2 221.348 2.442 50 0 BEAALP C[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000034040492 385272167 /nfs/dbraw/zinc/27/21/67/385272167.db2.gz NVKDDQBZODSEIN-OCCSQVGLSA-N 2 2 218.344 2.116 50 0 BEAALP C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000034040492 385272172 /nfs/dbraw/zinc/27/21/72/385272172.db2.gz NVKDDQBZODSEIN-OCCSQVGLSA-N 2 2 218.344 2.116 50 0 BEAALP C[C@H](Cc1ccccc1F)[NH2+]CCn1cc[nH+]c1 ZINC000157398743 385500109 /nfs/dbraw/zinc/50/01/09/385500109.db2.gz OCHDCZUPMFQOKV-GFCCVEGCSA-N 2 2 247.317 2.243 50 0 BEAALP Clc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000053148128 387514039 /nfs/dbraw/zinc/51/40/39/387514039.db2.gz JBIRPGGQBQODJX-GFCCVEGCSA-N 2 2 224.735 2.182 50 0 BEAALP C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)cc1 ZINC000058946076 388613350 /nfs/dbraw/zinc/61/33/50/388613350.db2.gz JRJZRHRKWOJNJM-AWEZNQCLSA-N 2 2 248.370 2.269 50 0 BEAALP C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccc(OC)cc1 ZINC000058946076 388613352 /nfs/dbraw/zinc/61/33/52/388613352.db2.gz JRJZRHRKWOJNJM-AWEZNQCLSA-N 2 2 248.370 2.269 50 0 BEAALP C(=C/c1ccco1)\C[N@@H+]1CCCn2c[nH+]cc2C1 ZINC000072153224 410026453 /nfs/dbraw/zinc/02/64/53/410026453.db2.gz IOEWUZJKPQGIGQ-DAFODLJHSA-N 2 2 243.310 2.395 50 0 BEAALP C(=C/c1ccco1)\C[N@H+]1CCCn2c[nH+]cc2C1 ZINC000072153224 410026460 /nfs/dbraw/zinc/02/64/60/410026460.db2.gz IOEWUZJKPQGIGQ-DAFODLJHSA-N 2 2 243.310 2.395 50 0 BEAALP CC[NH2+]CCc1[nH]c2c(cccc2C)[nH+]1 ZINC000019089173 170118042 /nfs/dbraw/zinc/11/80/42/170118042.db2.gz UMURVKQCFZEOEE-UHFFFAOYSA-N 2 2 203.289 2.023 50 0 BEAALP COc1cccc([C@@H](C[NH3+])[NH+]2CCCCC2)c1 ZINC000032497036 175287715 /nfs/dbraw/zinc/28/77/15/175287715.db2.gz RLNXEHGLANHPOL-CQSZACIVSA-N 2 2 234.343 2.181 50 0 BEAALP C[C@@H](c1ccccn1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000096490571 176025861 /nfs/dbraw/zinc/02/58/61/176025861.db2.gz GYRHFEZQNCLEGH-ZDUSSCGKSA-N 2 2 244.342 2.361 50 0 BEAALP C[C@H]1CCC[N@H+](CC[NH2+]C2CCCC2)C1 ZINC000037482380 177097465 /nfs/dbraw/zinc/09/74/65/177097465.db2.gz JFZJSDCWURQJJA-LBPRGKRZSA-N 2 2 210.365 2.251 50 0 BEAALP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCCC2)C1 ZINC000037482380 177097466 /nfs/dbraw/zinc/09/74/66/177097466.db2.gz JFZJSDCWURQJJA-LBPRGKRZSA-N 2 2 210.365 2.251 50 0 BEAALP C[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000022455349 177204736 /nfs/dbraw/zinc/20/47/36/177204736.db2.gz OIFGPLMAELDRMO-STQMWFEESA-N 2 2 210.365 2.251 50 0 BEAALP CCCc1c[nH+]c(C)nc1N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000534633678 323156833 /nfs/dbraw/zinc/15/68/33/323156833.db2.gz NPLCNLJVZUCLCY-GXFFZTMASA-N 2 2 248.374 2.147 50 0 BEAALP CCc1[nH+]ccn1Cc1c[nH+]c2ccccn12 ZINC000155380382 326194108 /nfs/dbraw/zinc/19/41/08/326194108.db2.gz RSQJGTLEPPJKFS-UHFFFAOYSA-N 2 2 226.283 2.142 50 0 BEAALP Cc1[nH]cc(-c2cccc3c2CC[NH2+]C3)[nH+]1 ZINC000071764559 398158988 /nfs/dbraw/zinc/15/89/88/398158988.db2.gz IQGJWEWEQXBWBS-UHFFFAOYSA-N 2 2 213.284 2.031 50 0 BEAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C)C1 ZINC000170596078 361774467 /nfs/dbraw/zinc/77/44/67/361774467.db2.gz KEZVHVUUXBMNCH-LBPRGKRZSA-N 2 2 221.348 2.177 50 0 BEAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@H](C)C1 ZINC000170596078 361774469 /nfs/dbraw/zinc/77/44/69/361774469.db2.gz KEZVHVUUXBMNCH-LBPRGKRZSA-N 2 2 221.348 2.177 50 0 BEAALP Fc1cccc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000020126732 342970693 /nfs/dbraw/zinc/97/06/93/342970693.db2.gz RFKHIYDPKWYXPW-UHFFFAOYSA-N 2 2 222.307 2.011 50 0 BEAALP C1C[C@@H]2[C@@H](C3CCCCC3)[NH2+]CC[N@@H+]2C1 ZINC000022027380 343036941 /nfs/dbraw/zinc/03/69/41/343036941.db2.gz HWGJYRYPRGQACU-CHWSQXEVSA-N 2 2 208.349 2.003 50 0 BEAALP C1C[C@@H]2[C@@H](C3CCCCC3)[NH2+]CC[N@H+]2C1 ZINC000022027380 343036944 /nfs/dbraw/zinc/03/69/44/343036944.db2.gz HWGJYRYPRGQACU-CHWSQXEVSA-N 2 2 208.349 2.003 50 0 BEAALP CC(C)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200657 344162727 /nfs/dbraw/zinc/16/27/27/344162727.db2.gz HIBZCRLCPICSIH-CYBMUJFWSA-N 2 2 233.359 2.471 50 0 BEAALP CC(C)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200657 344162730 /nfs/dbraw/zinc/16/27/30/344162730.db2.gz HIBZCRLCPICSIH-CYBMUJFWSA-N 2 2 233.359 2.471 50 0 BEAALP Cc1ccccc1[C@H](C[NH3+])[NH+]1CCCC1 ZINC000038638680 179342659 /nfs/dbraw/zinc/34/26/59/179342659.db2.gz YNHQWQAKKVJUNM-ZDUSSCGKSA-N 2 2 204.317 2.091 50 0 BEAALP CO[C@@](C)(C[NH2+]CCc1cc[nH+]cc1C)C1CC1 ZINC000397527120 350904270 /nfs/dbraw/zinc/90/42/70/350904270.db2.gz JBFGHTKQVABZSE-HNNXBMFYSA-N 2 2 248.370 2.337 50 0 BEAALP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000070984174 188130636 /nfs/dbraw/zinc/13/06/36/188130636.db2.gz LHVVGCIKOHNHPF-IUODEOHRSA-N 2 2 248.370 2.254 50 0 BEAALP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000070984174 188130638 /nfs/dbraw/zinc/13/06/38/188130638.db2.gz LHVVGCIKOHNHPF-IUODEOHRSA-N 2 2 248.370 2.254 50 0 BEAALP CC[NH+](CC)CC[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000021149457 371369375 /nfs/dbraw/zinc/36/93/75/371369375.db2.gz ZWDUJENMFBYCGT-ZDUSSCGKSA-N 2 2 242.407 2.123 50 0 BEAALP CCC[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000000810240 169188099 /nfs/dbraw/zinc/18/80/99/169188099.db2.gz SDXILLJPAAPTNA-UHFFFAOYSA-N 2 2 222.332 2.244 50 0 BEAALP c1ccc2[nH+]c(C[C@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000014001487 183435241 /nfs/dbraw/zinc/43/52/41/183435241.db2.gz ZXNJYJAWLLYPDM-SNVBAGLBSA-N 2 2 215.300 2.105 50 0 BEAALP c1cn(CCC[NH2+]CC2CCCCC2)c[nH+]1 ZINC000010314165 384273177 /nfs/dbraw/zinc/27/31/77/384273177.db2.gz FAVAZJCLSWWIJO-UHFFFAOYSA-N 2 2 221.348 2.443 50 0 BEAALP CCc1ccc([C@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000095098737 384365905 /nfs/dbraw/zinc/36/59/05/384365905.db2.gz QCGLRNJIKPUVEA-AWEZNQCLSA-N 2 2 218.344 2.345 50 0 BEAALP Cc1ccc([C@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000095100153 384366611 /nfs/dbraw/zinc/36/66/11/384366611.db2.gz LKZLXWFCBLLWEP-ZDUSSCGKSA-N 2 2 204.317 2.091 50 0 BEAALP Cc1ccc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)o1 ZINC000084195442 384380797 /nfs/dbraw/zinc/38/07/97/384380797.db2.gz FAAKHENOYJIOSX-LBPRGKRZSA-N 2 2 245.326 2.452 50 0 BEAALP [NH3+][C@H]1CCc2[nH+]c(-c3cc(F)ccc3F)cn2C1 ZINC000079776778 384514470 /nfs/dbraw/zinc/51/44/70/384514470.db2.gz HKGDSXMMICYYRW-VIFPVBQESA-N 2 2 249.264 2.102 50 0 BEAALP C[N@@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC000020072512 384572113 /nfs/dbraw/zinc/57/21/13/384572113.db2.gz HWUKMLXFIHYODW-CQSZACIVSA-N 2 2 218.344 2.261 50 0 BEAALP C[N@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC000020072512 384572118 /nfs/dbraw/zinc/57/21/18/384572118.db2.gz HWUKMLXFIHYODW-CQSZACIVSA-N 2 2 218.344 2.261 50 0 BEAALP c1cn(-c2ncccc2C[NH2+]C2CCCC2)c[nH+]1 ZINC000011935092 384723158 /nfs/dbraw/zinc/72/31/58/384723158.db2.gz KPEHAVHHKCUDGR-UHFFFAOYSA-N 2 2 242.326 2.300 50 0 BEAALP Cc1ccc([C@@H]([NH3+])Cn2cc[nH+]c2)c(C)c1 ZINC000023068834 384787052 /nfs/dbraw/zinc/78/70/52/384787052.db2.gz VUMKZWMTVQZXOG-ZDUSSCGKSA-N 2 2 215.300 2.200 50 0 BEAALP CNc1cc[nH+]c(NCc2c[nH+]c(C)cc2C)n1 ZINC000065451151 385311313 /nfs/dbraw/zinc/31/13/13/385311313.db2.gz RBADRZAGRAQGEI-UHFFFAOYSA-N 2 2 243.314 2.142 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1COC(C)(C)C1 ZINC000397533445 385643946 /nfs/dbraw/zinc/64/39/46/385643946.db2.gz IINLPAXHUCPBTF-ZDUSSCGKSA-N 2 2 234.343 2.090 50 0 BEAALP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000050245186 386730912 /nfs/dbraw/zinc/73/09/12/386730912.db2.gz CNBNKFRTLCWHHZ-QMMMGPOBSA-N 2 2 230.764 2.182 50 0 BEAALP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000050245186 386730921 /nfs/dbraw/zinc/73/09/21/386730921.db2.gz CNBNKFRTLCWHHZ-QMMMGPOBSA-N 2 2 230.764 2.182 50 0 BEAALP CC(C)=CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000095984100 388799844 /nfs/dbraw/zinc/79/98/44/388799844.db2.gz PMIXBWAKZSBFGP-UHFFFAOYSA-N 2 2 207.321 2.171 50 0 BEAALP CC(C)=CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000095984100 388799852 /nfs/dbraw/zinc/79/98/52/388799852.db2.gz PMIXBWAKZSBFGP-UHFFFAOYSA-N 2 2 207.321 2.171 50 0 BEAALP CCCc1[nH+]ccn1Cc1cc(OC)cc[nH+]1 ZINC000095441049 388771742 /nfs/dbraw/zinc/77/17/42/388771742.db2.gz FJJNPDINZAYGNI-UHFFFAOYSA-N 2 2 231.299 2.288 50 0 BEAALP Cc1nc(NC[C@@H]2CCC[NH2+]C2)c(C(C)C)c[nH+]1 ZINC000534670061 411164036 /nfs/dbraw/zinc/16/40/36/411164036.db2.gz VYJNNGQPDJFPED-GFCCVEGCSA-N 2 2 248.374 2.320 50 0 BEAALP Cc1c[nH+]c(C)nc1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000519658311 411735218 /nfs/dbraw/zinc/73/52/18/411735218.db2.gz XTEVLXBRCWSROG-ZDUSSCGKSA-N 2 2 248.374 2.237 50 0 BEAALP Cc1c[nH+]c(C)nc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC000519658311 411735220 /nfs/dbraw/zinc/73/52/20/411735220.db2.gz XTEVLXBRCWSROG-ZDUSSCGKSA-N 2 2 248.374 2.237 50 0 BEAALP Cc1c[nH+]c(C)nc1N[C@@H](C)C1CC[NH+](C)CC1 ZINC000534638469 411738401 /nfs/dbraw/zinc/73/84/01/411738401.db2.gz DTICHIXVOCGTDO-NSHDSACASA-N 2 2 248.374 2.236 50 0 BEAALP COc1ccc2[nH]c([C@H]3CCC[NH2+]C3)[nH+]c2c1 ZINC000019737156 175202422 /nfs/dbraw/zinc/20/24/22/175202422.db2.gz YHICTPQUHTWILB-VIFPVBQESA-N 2 2 231.299 2.039 50 0 BEAALP COc1ccccc1[C@@H](C[NH3+])[NH+]1CCCCC1 ZINC000038341992 175346508 /nfs/dbraw/zinc/34/65/08/175346508.db2.gz PCQCMHDWEYJAET-CYBMUJFWSA-N 2 2 234.343 2.181 50 0 BEAALP C[C@H]1CCCC[C@@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000097086458 177079861 /nfs/dbraw/zinc/07/98/61/177079861.db2.gz WWRLDQQCOFBPJO-QWHCGFSZSA-N 2 2 221.348 2.299 50 0 BEAALP Cc1c[nH+]c(C)nc1NCC[C@@H]1CCCC[N@H+]1C ZINC000670453684 487508303 /nfs/dbraw/zinc/50/83/03/487508303.db2.gz IMIHKXOGXXXPLQ-ZDUSSCGKSA-N 2 2 248.374 2.380 50 0 BEAALP Cc1c[nH+]c(C)nc1NCC[C@@H]1CCCC[N@@H+]1C ZINC000670453684 487508309 /nfs/dbraw/zinc/50/83/09/487508309.db2.gz IMIHKXOGXXXPLQ-ZDUSSCGKSA-N 2 2 248.374 2.380 50 0 BEAALP c1ccc(C[NH2+]CCC[NH+]2CCCCC2)nc1 ZINC000020128855 526472257 /nfs/dbraw/zinc/47/22/57/526472257.db2.gz GSORIQZEYJWZLY-UHFFFAOYSA-N 2 2 233.359 2.047 50 0 BEAALP Cc1ccc(C[NH2+]CCn2c[nH+]c(C)c2C)o1 ZINC000952869616 974049511 /nfs/dbraw/zinc/04/95/11/974049511.db2.gz WSQQPHORDDEJFC-UHFFFAOYSA-N 2 2 233.315 2.191 50 0 BEAALP Cc1cc2[nH+]cn(C[C@H]([NH3+])C3CC3)c2cc1C ZINC000069076956 178305788 /nfs/dbraw/zinc/30/57/88/178305788.db2.gz RGSOVRILCBJWCO-LBPRGKRZSA-N 2 2 229.327 2.390 50 0 BEAALP C[C@H](Cc1ccccc1)[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000019946829 342963938 /nfs/dbraw/zinc/96/39/38/342963938.db2.gz SDICWGCMDSZILV-CZUORRHYSA-N 2 2 244.382 2.301 50 0 BEAALP C[C@@H](Cc1ccccc1)[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000019946834 342964361 /nfs/dbraw/zinc/96/43/61/342964361.db2.gz SDICWGCMDSZILV-BBRMVZONSA-N 2 2 244.382 2.301 50 0 BEAALP C[NH+](C)[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000022913568 343056654 /nfs/dbraw/zinc/05/66/54/343056654.db2.gz SWLFIBVORKOVPK-SNVBAGLBSA-N 2 2 232.249 2.267 50 0 BEAALP CC(C)(C)[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2C1 ZINC000023069597 343058264 /nfs/dbraw/zinc/05/82/64/343058264.db2.gz CVAAGXPJOVJPNL-AWEZNQCLSA-N 2 2 232.371 2.418 50 0 BEAALP CC(C)(C)[C@@H]([NH3+])C[N@H+]1CCc2ccccc2C1 ZINC000023069597 343058265 /nfs/dbraw/zinc/05/82/65/343058265.db2.gz CVAAGXPJOVJPNL-AWEZNQCLSA-N 2 2 232.371 2.418 50 0 BEAALP C[N@H+](Cc1ccsc1)C1CC[NH+](C)CC1 ZINC000000237929 343269588 /nfs/dbraw/zinc/26/95/88/343269588.db2.gz LLVCSZFCEMWXJC-UHFFFAOYSA-N 2 2 224.373 2.274 50 0 BEAALP C[N@@H+](Cc1ccsc1)C1CC[NH+](C)CC1 ZINC000000237929 343269589 /nfs/dbraw/zinc/26/95/89/343269589.db2.gz LLVCSZFCEMWXJC-UHFFFAOYSA-N 2 2 224.373 2.274 50 0 BEAALP Cc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126736 363026898 /nfs/dbraw/zinc/02/68/98/363026898.db2.gz KZLUNGOQTPHFHT-UHFFFAOYSA-N 2 2 218.344 2.180 50 0 BEAALP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000094901287 188222941 /nfs/dbraw/zinc/22/29/41/188222941.db2.gz YUMINKNFIQJCTP-OAHLLOKOSA-N 2 2 232.371 2.418 50 0 BEAALP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000094901287 188222943 /nfs/dbraw/zinc/22/29/43/188222943.db2.gz YUMINKNFIQJCTP-OAHLLOKOSA-N 2 2 232.371 2.418 50 0 BEAALP [NH3+]CCCCCc1[nH]c2ccccc2[nH+]1 ZINC000002568410 181375309 /nfs/dbraw/zinc/37/53/09/181375309.db2.gz XTJRXHPNZGDOGE-UHFFFAOYSA-N 2 2 203.289 2.234 50 0 in-vitro BEAALP CCCCn1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC000096032244 169036628 /nfs/dbraw/zinc/03/66/28/169036628.db2.gz XQQQPTGSSVMHCI-LLVKDONJSA-N 2 2 207.321 2.150 50 0 BEAALP Cc1ccc(C)c(OCC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000067723296 383939798 /nfs/dbraw/zinc/93/97/98/383939798.db2.gz KYGIRTAMYRQTRO-CQSZACIVSA-N 2 2 248.370 2.024 50 0 BEAALP c1coc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000084432776 384397454 /nfs/dbraw/zinc/39/74/54/384397454.db2.gz HSRGJVOEQOMLFN-NSHDSACASA-N 2 2 231.299 2.143 50 0 BEAALP C[NH2+][C@H]1CC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000097165794 384388902 /nfs/dbraw/zinc/38/89/02/384388902.db2.gz HEGQPHRJUUZQNJ-ZFWWWQNUSA-N 2 2 232.371 2.159 50 0 BEAALP C[NH2+][C@H]1CC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000097165794 384388905 /nfs/dbraw/zinc/38/89/05/384388905.db2.gz HEGQPHRJUUZQNJ-ZFWWWQNUSA-N 2 2 232.371 2.159 50 0 BEAALP c1ccc2c(c1)CC[N@@H+](C[C@H]1CCCC[NH2+]1)C2 ZINC000019432376 384521441 /nfs/dbraw/zinc/52/14/41/384521441.db2.gz OEDNKJKYNYWJBW-OAHLLOKOSA-N 2 2 230.355 2.187 50 0 BEAALP c1ccc2c(c1)CC[N@H+](C[C@H]1CCCC[NH2+]1)C2 ZINC000019432376 384521453 /nfs/dbraw/zinc/52/14/53/384521453.db2.gz OEDNKJKYNYWJBW-OAHLLOKOSA-N 2 2 230.355 2.187 50 0 BEAALP CC(C)[C@@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000020072519 384569355 /nfs/dbraw/zinc/56/93/55/384569355.db2.gz KNGBJSXFCBIQGY-ZDUSSCGKSA-N 2 2 206.333 2.102 50 0 BEAALP CC(C)[C@@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000020072519 384569359 /nfs/dbraw/zinc/56/93/59/384569359.db2.gz KNGBJSXFCBIQGY-ZDUSSCGKSA-N 2 2 206.333 2.102 50 0 BEAALP CC[N@H+](C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000020073341 384571673 /nfs/dbraw/zinc/57/16/73/384571673.db2.gz KYSMEIDAADLRAM-LBPRGKRZSA-N 2 2 210.365 2.393 50 0 BEAALP CC[N@@H+](C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000020073341 384571677 /nfs/dbraw/zinc/57/16/77/384571677.db2.gz KYSMEIDAADLRAM-LBPRGKRZSA-N 2 2 210.365 2.393 50 0 BEAALP c1[nH]cc(CC[NH2+][C@H]2CCc3ccccc3C2)[nH+]1 ZINC000000757693 384991592 /nfs/dbraw/zinc/99/15/92/384991592.db2.gz PDNNRMXYGUPEBA-AWEZNQCLSA-N 2 2 241.338 2.099 50 0 BEAALP c1[nH]c(CC[NH2+][C@H]2CCc3ccccc3C2)c[nH+]1 ZINC000000757693 384991597 /nfs/dbraw/zinc/99/15/97/384991597.db2.gz PDNNRMXYGUPEBA-AWEZNQCLSA-N 2 2 241.338 2.099 50 0 BEAALP c1ccc2c(c1)CCC([N@H+]1CCC[NH2+]CC1)CC2 ZINC000426370494 387560702 /nfs/dbraw/zinc/56/07/02/387560702.db2.gz OIMOHIFEARYTJP-UHFFFAOYSA-N 2 2 244.382 2.229 50 0 BEAALP c1ccc2c(c1)CCC([N@@H+]1CCC[NH2+]CC1)CC2 ZINC000426370494 387560707 /nfs/dbraw/zinc/56/07/07/387560707.db2.gz OIMOHIFEARYTJP-UHFFFAOYSA-N 2 2 244.382 2.229 50 0 BEAALP CCc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126740 388400091 /nfs/dbraw/zinc/40/00/91/388400091.db2.gz ZHJQXIXVYPZKMB-UHFFFAOYSA-N 2 2 232.371 2.434 50 0 BEAALP CC[C@H](c1ccc(OC)cc1)[N@H+](C)CC[NH3+] ZINC000054416967 388520194 /nfs/dbraw/zinc/52/01/94/388520194.db2.gz DKBHIZRQCLZEIU-CYBMUJFWSA-N 2 2 222.332 2.037 50 0 BEAALP CC[C@H](c1ccc(OC)cc1)[N@@H+](C)CC[NH3+] ZINC000054416967 388520197 /nfs/dbraw/zinc/52/01/97/388520197.db2.gz DKBHIZRQCLZEIU-CYBMUJFWSA-N 2 2 222.332 2.037 50 0 BEAALP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000050228045 167294155 /nfs/dbraw/zinc/29/41/55/167294155.db2.gz WXCPAUMCLUCTOA-CYBMUJFWSA-N 2 2 234.343 2.007 50 0 BEAALP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000050228045 167294160 /nfs/dbraw/zinc/29/41/60/167294160.db2.gz WXCPAUMCLUCTOA-CYBMUJFWSA-N 2 2 234.343 2.007 50 0 BEAALP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000218140486 173034594 /nfs/dbraw/zinc/03/45/94/173034594.db2.gz UMOURBSOUZJMLW-CYBMUJFWSA-N 2 2 243.354 2.352 50 0 BEAALP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000218140486 173034596 /nfs/dbraw/zinc/03/45/96/173034596.db2.gz UMOURBSOUZJMLW-CYBMUJFWSA-N 2 2 243.354 2.352 50 0 BEAALP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000218140580 173057411 /nfs/dbraw/zinc/05/74/11/173057411.db2.gz UMOURBSOUZJMLW-ZDUSSCGKSA-N 2 2 243.354 2.352 50 0 BEAALP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000218140580 173057412 /nfs/dbraw/zinc/05/74/12/173057412.db2.gz UMOURBSOUZJMLW-ZDUSSCGKSA-N 2 2 243.354 2.352 50 0 BEAALP COc1ccc2[nH]c([C@@H]3CCC[NH2+]C3)[nH+]c2c1 ZINC000019737155 175201847 /nfs/dbraw/zinc/20/18/47/175201847.db2.gz YHICTPQUHTWILB-SECBINFHSA-N 2 2 231.299 2.039 50 0 BEAALP COc1ccccc1[C@@H](C[NH3+])[NH+]1CCC(C)CC1 ZINC000032522381 175346193 /nfs/dbraw/zinc/34/61/93/175346193.db2.gz ZIYVUKBXAFBXFB-CQSZACIVSA-N 2 2 248.370 2.427 50 0 BEAALP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCCC2)C1 ZINC000037482379 176098413 /nfs/dbraw/zinc/09/84/13/176098413.db2.gz JFZJSDCWURQJJA-GFCCVEGCSA-N 2 2 210.365 2.251 50 0 BEAALP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCCC2)C1 ZINC000037482379 176098414 /nfs/dbraw/zinc/09/84/14/176098414.db2.gz JFZJSDCWURQJJA-GFCCVEGCSA-N 2 2 210.365 2.251 50 0 BEAALP C[C@@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000002498975 176143020 /nfs/dbraw/zinc/14/30/20/176143020.db2.gz AGKNKMPCTVCZLF-OLZOCXBDSA-N 2 2 221.348 2.442 50 0 BEAALP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000097098512 322984251 /nfs/dbraw/zinc/98/42/51/322984251.db2.gz HYQGDGLMTBINIF-ZIAGYGMSSA-N 2 2 233.359 2.465 50 0 BEAALP Cc1[nH]c2cc(C[NH2+][C@@H]3CCCOC3)ccc2[nH+]1 ZINC000670437236 491105373 /nfs/dbraw/zinc/10/53/73/491105373.db2.gz IMDUMOYIMYIFHM-GFCCVEGCSA-N 2 2 245.326 2.140 50 0 BEAALP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCCOC3)cc2[nH+]1 ZINC000670437236 491105375 /nfs/dbraw/zinc/10/53/75/491105375.db2.gz IMDUMOYIMYIFHM-GFCCVEGCSA-N 2 2 245.326 2.140 50 0 BEAALP Cc1nc(NCC2CC[NH+](C(C)C)CC2)cc[nH+]1 ZINC000821740517 968492319 /nfs/dbraw/zinc/49/23/19/968492319.db2.gz LSWFNALMAJMENE-UHFFFAOYSA-N 2 2 248.374 2.317 50 0 BEAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC)cc1 ZINC000019527248 342951061 /nfs/dbraw/zinc/95/10/61/342951061.db2.gz JEWOBTHTAMVEAQ-AWEZNQCLSA-N 2 2 248.370 2.269 50 0 BEAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC)cc1 ZINC000019527248 342951062 /nfs/dbraw/zinc/95/10/62/342951062.db2.gz JEWOBTHTAMVEAQ-AWEZNQCLSA-N 2 2 248.370 2.269 50 0 BEAALP CC[NH+](CC)CC[NH2+]CCc1ccccc1 ZINC000019737639 342955636 /nfs/dbraw/zinc/95/56/36/342955636.db2.gz WUIFHYMUVDPLHT-UHFFFAOYSA-N 2 2 220.360 2.161 50 0 BEAALP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCCCC1 ZINC000020073662 342968088 /nfs/dbraw/zinc/96/80/88/342968088.db2.gz TXLIXMQWPQGLPR-CQSZACIVSA-N 2 2 218.344 2.042 50 0 BEAALP [NH3+][C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000022942156 343056956 /nfs/dbraw/zinc/05/69/56/343056956.db2.gz QPMFCOOSBGLJNO-NSHDSACASA-N 2 2 244.260 2.238 50 0 BEAALP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000022942156 343056958 /nfs/dbraw/zinc/05/69/58/343056958.db2.gz QPMFCOOSBGLJNO-NSHDSACASA-N 2 2 244.260 2.238 50 0 BEAALP COc1ccc([C@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000032522374 343236956 /nfs/dbraw/zinc/23/69/56/343236956.db2.gz GQYRFJTWOUTTBI-HNNXBMFYSA-N 2 2 248.370 2.427 50 0 BEAALP C([C@@H]1CCCCC[NH2+]1)[NH+]1CCCCCC1 ZINC000039706244 343392240 /nfs/dbraw/zinc/39/22/40/343392240.db2.gz FKJULXMLCXCDMD-ZDUSSCGKSA-N 2 2 210.365 2.395 50 0 BEAALP C[N@H+](Cc1cccs1)C1CC[NH+](C)CC1 ZINC000000239367 346401348 /nfs/dbraw/zinc/40/13/48/346401348.db2.gz TUNRWCTWIKEJFN-UHFFFAOYSA-N 2 2 224.373 2.274 50 0 BEAALP C[N@@H+](Cc1cccs1)C1CC[NH+](C)CC1 ZINC000000239367 346401352 /nfs/dbraw/zinc/40/13/52/346401352.db2.gz TUNRWCTWIKEJFN-UHFFFAOYSA-N 2 2 224.373 2.274 50 0 BEAALP Cc1[nH+]ccn1C[C@H]1CCCN1c1cccc[nH+]1 ZINC000225598590 180269046 /nfs/dbraw/zinc/26/90/46/180269046.db2.gz UAYQKUUKJIVJQE-CYBMUJFWSA-N 2 2 242.326 2.256 50 0 BEAALP Cc1c[nH+]c(-c2ccccc2)n1C1C[NH2+]C1 ZINC000169793055 361130412 /nfs/dbraw/zinc/13/04/12/361130412.db2.gz FLDZEGCGDKSEMV-UHFFFAOYSA-N 2 2 213.284 2.003 50 0 BEAALP [NH3+]CCCc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000015635394 181387639 /nfs/dbraw/zinc/38/76/39/181387639.db2.gz AUWKJRWGANKURK-UHFFFAOYSA-N 2 2 209.680 2.108 50 0 BEAALP [NH3+]CCCn1c2ccccc2[nH+]c1C1CC1 ZINC000020223193 181389455 /nfs/dbraw/zinc/38/94/55/181389455.db2.gz LMEITWWKEGNSIW-UHFFFAOYSA-N 2 2 215.300 2.263 50 0 BEAALP [NH3+]CC[N@H+](CCc1ccccc1)Cc1ccco1 ZINC000032101821 181390863 /nfs/dbraw/zinc/39/08/63/181390863.db2.gz ISIJDVOGNGYKGS-UHFFFAOYSA-N 2 2 244.338 2.283 50 0 BEAALP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1ccco1 ZINC000032101821 181390865 /nfs/dbraw/zinc/39/08/65/181390865.db2.gz ISIJDVOGNGYKGS-UHFFFAOYSA-N 2 2 244.338 2.283 50 0 BEAALP [NH3+]C[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000038827584 181423974 /nfs/dbraw/zinc/42/39/74/181423974.db2.gz UVIGGJRPXIOCTF-ZDUSSCGKSA-N 2 2 222.307 2.311 50 0 BEAALP c1ccc(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC000082346508 183397266 /nfs/dbraw/zinc/39/72/66/183397266.db2.gz CTORQCPIHLPTDH-HNNXBMFYSA-N 2 2 230.355 2.405 50 0 BEAALP c1ccc(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC000082346508 183397268 /nfs/dbraw/zinc/39/72/68/183397268.db2.gz CTORQCPIHLPTDH-HNNXBMFYSA-N 2 2 230.355 2.405 50 0 BEAALP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1nccs1 ZINC000097373862 384176097 /nfs/dbraw/zinc/17/60/97/384176097.db2.gz XZPKDBKEFWOEQE-SNVBAGLBSA-N 2 2 236.344 2.081 50 0 BEAALP C[N@@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC000020072511 384571396 /nfs/dbraw/zinc/57/13/96/384571396.db2.gz HWUKMLXFIHYODW-AWEZNQCLSA-N 2 2 218.344 2.261 50 0 BEAALP C[N@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC000020072511 384571406 /nfs/dbraw/zinc/57/14/06/384571406.db2.gz HWUKMLXFIHYODW-AWEZNQCLSA-N 2 2 218.344 2.261 50 0 BEAALP c1cn(CCC[NH2+]C[C@H]2CC=CCC2)c[nH+]1 ZINC000049947049 384578821 /nfs/dbraw/zinc/57/88/21/384578821.db2.gz PNJMXWRDRVOQKU-ZDUSSCGKSA-N 2 2 219.332 2.219 50 0 BEAALP C[NH+](C)CC[NH2+]Cc1cccc2ccccc21 ZINC000022042373 384727379 /nfs/dbraw/zinc/72/73/79/384727379.db2.gz RWJJKNPSJCNSQR-UHFFFAOYSA-N 2 2 228.339 2.491 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000271479661 384735472 /nfs/dbraw/zinc/73/54/72/384735472.db2.gz ISWBWBNTMQYVEX-HIFRSBDPSA-N 3 2 247.386 2.005 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000271479661 384735479 /nfs/dbraw/zinc/73/54/79/384735479.db2.gz ISWBWBNTMQYVEX-HIFRSBDPSA-N 3 2 247.386 2.005 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000271479667 384737395 /nfs/dbraw/zinc/73/73/95/384737395.db2.gz ISWBWBNTMQYVEX-ZFWWWQNUSA-N 3 2 247.386 2.005 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000271479667 384737403 /nfs/dbraw/zinc/73/74/03/384737403.db2.gz ISWBWBNTMQYVEX-ZFWWWQNUSA-N 3 2 247.386 2.005 50 0 BEAALP [NH3+]C[C@@H](c1cccc(F)c1)[NH+]1CCCCC1 ZINC000022176734 384743852 /nfs/dbraw/zinc/74/38/52/384743852.db2.gz JQIARQLCOJMLDZ-ZDUSSCGKSA-N 2 2 222.307 2.311 50 0 BEAALP c1ccc2[nH+]c(NCC[NH+]3CCCCC3)[nH]c2c1 ZINC000026439854 384871997 /nfs/dbraw/zinc/87/19/97/384871997.db2.gz XGRUAJIOKOJEQO-UHFFFAOYSA-N 2 2 244.342 2.461 50 0 BEAALP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000000240245 385278940 /nfs/dbraw/zinc/27/89/40/385278940.db2.gz YAXOEVALISNENF-UHFFFAOYSA-N 2 2 248.370 2.221 50 0 BEAALP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000000240245 385278946 /nfs/dbraw/zinc/27/89/46/385278946.db2.gz YAXOEVALISNENF-UHFFFAOYSA-N 2 2 248.370 2.221 50 0 BEAALP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+]C2CCCC2)C1 ZINC000095394094 388765833 /nfs/dbraw/zinc/76/58/33/388765833.db2.gz GNAXGVUFVGSBNZ-CYBMUJFWSA-N 2 2 208.349 2.003 50 0 BEAALP C(C1CC1)[N@H+]1CC[C@@H]([NH2+]C2CCCC2)C1 ZINC000095394094 388765836 /nfs/dbraw/zinc/76/58/36/388765836.db2.gz GNAXGVUFVGSBNZ-CYBMUJFWSA-N 2 2 208.349 2.003 50 0 BEAALP CC(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000026514592 167139628 /nfs/dbraw/zinc/13/96/28/167139628.db2.gz ZELZJSMTYJIMIM-AWEZNQCLSA-N 2 2 218.344 2.259 50 0 BEAALP CC(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000026514592 167139624 /nfs/dbraw/zinc/13/96/24/167139624.db2.gz ZELZJSMTYJIMIM-AWEZNQCLSA-N 2 2 218.344 2.259 50 0 BEAALP CC1CC[NH+]([C@@H](C[NH3+])c2cccs2)CC1 ZINC000019795718 168185819 /nfs/dbraw/zinc/18/58/19/168185819.db2.gz HJPGNUUFVKJORI-NSHDSACASA-N 2 2 224.373 2.480 50 0 BEAALP CC1CC[NH+]([C@H](C[NH3+])c2ccccc2)CC1 ZINC000032522380 168187801 /nfs/dbraw/zinc/18/78/01/168187801.db2.gz XQTFEFRXFNJBQW-CQSZACIVSA-N 2 2 218.344 2.418 50 0 BEAALP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000069796123 173111855 /nfs/dbraw/zinc/11/18/55/173111855.db2.gz ROGPDGDVTBVNPY-CABZTGNLSA-N 2 2 242.725 2.431 50 0 BEAALP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000069796123 173111856 /nfs/dbraw/zinc/11/18/56/173111856.db2.gz ROGPDGDVTBVNPY-CABZTGNLSA-N 2 2 242.725 2.431 50 0 BEAALP C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000039957458 173377893 /nfs/dbraw/zinc/37/78/93/173377893.db2.gz OTALFDMWEXVUBN-CQSZACIVSA-N 2 2 218.344 2.433 50 0 BEAALP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000097098514 322984273 /nfs/dbraw/zinc/98/42/73/322984273.db2.gz HYQGDGLMTBINIF-UONOGXRCSA-N 2 2 233.359 2.465 50 0 BEAALP CCc1ccccc1OCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000534589613 323154522 /nfs/dbraw/zinc/15/45/22/323154522.db2.gz HQOLSWKBGBECLZ-AWEZNQCLSA-N 2 2 248.370 2.051 50 0 BEAALP CCc1ccccc1OCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000534589613 323154523 /nfs/dbraw/zinc/15/45/23/323154523.db2.gz HQOLSWKBGBECLZ-AWEZNQCLSA-N 2 2 248.370 2.051 50 0 BEAALP CC(C)c1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)no1 ZINC000534665362 323158441 /nfs/dbraw/zinc/15/84/41/323158441.db2.gz AGKKLQAFHXRDNX-NSHDSACASA-N 2 2 248.330 2.173 50 0 BEAALP Cc1c[nH+]c(C)nc1NCC[C@H]1CCCC[N@H+]1C ZINC000670453683 487507881 /nfs/dbraw/zinc/50/78/81/487507881.db2.gz IMIHKXOGXXXPLQ-CYBMUJFWSA-N 2 2 248.374 2.380 50 0 BEAALP Cc1c[nH+]c(C)nc1NCC[C@H]1CCCC[N@@H+]1C ZINC000670453683 487507886 /nfs/dbraw/zinc/50/78/86/487507886.db2.gz IMIHKXOGXXXPLQ-CYBMUJFWSA-N 2 2 248.374 2.380 50 0 BEAALP Cc1nc(NC(C)(C)C[NH+]2CCCCC2)cc[nH+]1 ZINC000308663767 488214393 /nfs/dbraw/zinc/21/43/93/488214393.db2.gz NDGATBJYEBJLAN-UHFFFAOYSA-N 2 2 248.374 2.461 50 0 BEAALP Fc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000002522998 526411405 /nfs/dbraw/zinc/41/14/05/526411405.db2.gz HKHHKORRQXFOGZ-UHFFFAOYSA-N 2 2 233.290 2.202 50 0 BEAALP Cn1cc[nH+]c1CC[N@@H+]1CCC2(CCCC2)C1 ZINC001506398674 988776130 /nfs/dbraw/zinc/77/61/30/988776130.db2.gz QDEBLKPQBRKKKR-UHFFFAOYSA-N 2 2 233.359 2.229 50 0 BEAALP Cn1cc[nH+]c1CC[N@H+]1CCC2(CCCC2)C1 ZINC001506398674 988776145 /nfs/dbraw/zinc/77/61/45/988776145.db2.gz QDEBLKPQBRKKKR-UHFFFAOYSA-N 2 2 233.359 2.229 50 0 BEAALP Cc1cc2[nH+]cn(C[C@H](C)[NH3+])c2cc1C ZINC000019281659 178306100 /nfs/dbraw/zinc/30/61/00/178306100.db2.gz GHFBXCCYQPXBHJ-JTQLQIEISA-N 2 2 203.289 2.000 50 0 BEAALP Cn1c2ccc(Cl)cc2[nH+]c1CCC[NH3+] ZINC000011568671 342841649 /nfs/dbraw/zinc/84/16/49/342841649.db2.gz WHBMCTWEXZVMLX-UHFFFAOYSA-N 2 2 223.707 2.118 50 0 BEAALP Fc1ccc2[nH]c(C[C@H]3CCC[NH2+]C3)[nH+]c2c1 ZINC000014001481 342875553 /nfs/dbraw/zinc/87/55/53/342875553.db2.gz YZRFWOLEIOWWJN-SECBINFHSA-N 2 2 233.290 2.244 50 0 BEAALP Cc1ccc2[nH+]c(CCC[NH3+])[nH]c2c1C ZINC000019737147 342955912 /nfs/dbraw/zinc/95/59/12/342955912.db2.gz JAYAETBUIDWSOJ-UHFFFAOYSA-N 2 2 203.289 2.071 50 0 BEAALP CC(C)[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000021954969 343030230 /nfs/dbraw/zinc/03/02/30/343030230.db2.gz MAKBBENPGYHNFS-UHFFFAOYSA-N 2 2 222.332 2.242 50 0 BEAALP C[NH+](C)[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000022213776 343044332 /nfs/dbraw/zinc/04/43/32/343044332.db2.gz CFRAIORJLQOCSP-JTQLQIEISA-N 2 2 232.249 2.267 50 0 BEAALP CC[N@H+](C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000037246784 343340876 /nfs/dbraw/zinc/34/08/76/343340876.db2.gz GSXXHJOFNCOJII-CYBMUJFWSA-N 2 2 210.365 2.393 50 0 BEAALP CC[N@@H+](C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000037246784 343340877 /nfs/dbraw/zinc/34/08/77/343340877.db2.gz GSXXHJOFNCOJII-CYBMUJFWSA-N 2 2 210.365 2.393 50 0 BEAALP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@@H+]1C ZINC000252086135 538070959 /nfs/dbraw/zinc/07/09/59/538070959.db2.gz CVSGAHKFSQPRPO-NDBYEHHHSA-N 2 2 210.365 2.247 50 0 BEAALP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@H+]1C ZINC000252086135 538070964 /nfs/dbraw/zinc/07/09/64/538070964.db2.gz CVSGAHKFSQPRPO-NDBYEHHHSA-N 2 2 210.365 2.247 50 0 BEAALP CC(C)(C)c1[nH+]ccn1CCCn1cc[nH+]c1 ZINC000067919872 188129373 /nfs/dbraw/zinc/12/93/73/188129373.db2.gz RVJOCDVCDHRPIV-UHFFFAOYSA-N 2 2 232.331 2.467 50 0 BEAALP C[C@H](CCc1ccccc1)[NH2+]CC[NH+](C)C ZINC000022027717 357056983 /nfs/dbraw/zinc/05/69/83/357056983.db2.gz ARICIRXKQDKQEW-CYBMUJFWSA-N 2 2 220.360 2.159 50 0 BEAALP c1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccn1 ZINC000002733960 183339471 /nfs/dbraw/zinc/33/94/71/183339471.db2.gz XQUUCFFKVKGRIV-UHFFFAOYSA-N 2 2 245.370 2.142 50 0 BEAALP c1ccc(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC000082346510 183396395 /nfs/dbraw/zinc/39/63/95/183396395.db2.gz CTORQCPIHLPTDH-OAHLLOKOSA-N 2 2 230.355 2.405 50 0 BEAALP c1ccc(C[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC000082346510 183396397 /nfs/dbraw/zinc/39/63/97/183396397.db2.gz CTORQCPIHLPTDH-OAHLLOKOSA-N 2 2 230.355 2.405 50 0 BEAALP c1cn(CCC[NH2+]Cc2ccccc2)c[nH+]1 ZINC000002533909 383971204 /nfs/dbraw/zinc/97/12/04/383971204.db2.gz PUHMXLKXQDOCFC-UHFFFAOYSA-N 2 2 215.300 2.063 50 0 BEAALP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000038860368 384097369 /nfs/dbraw/zinc/09/73/69/384097369.db2.gz LXTNKNAROJVMBB-ZDUSSCGKSA-N 2 2 206.333 2.337 50 0 BEAALP Cc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000072204000 384200223 /nfs/dbraw/zinc/20/02/23/384200223.db2.gz CWFBAQCDOMBJKW-CQSZACIVSA-N 2 2 218.344 2.227 50 0 BEAALP COc1ccc2[nH]c(C3CC[NH2+]CC3)[nH+]c2c1 ZINC000011567883 384289876 /nfs/dbraw/zinc/28/98/76/384289876.db2.gz BOXYYPUGLOCCOE-UHFFFAOYSA-N 2 2 231.299 2.039 50 0 BEAALP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1c(C)noc1C ZINC000097111105 384374551 /nfs/dbraw/zinc/37/45/51/384374551.db2.gz RFYCFBKSRKBLJX-GFCCVEGCSA-N 2 2 248.330 2.229 50 0 BEAALP Cc1ccc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)o1 ZINC000084195444 384380540 /nfs/dbraw/zinc/38/05/40/384380540.db2.gz FAAKHENOYJIOSX-GFCCVEGCSA-N 2 2 245.326 2.452 50 0 BEAALP C[NH2+][C@H]1CC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000097165795 384389421 /nfs/dbraw/zinc/38/94/21/384389421.db2.gz HEGQPHRJUUZQNJ-HIFRSBDPSA-N 2 2 232.371 2.159 50 0 BEAALP C[NH2+][C@H]1CC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000097165795 384389425 /nfs/dbraw/zinc/38/94/25/384389425.db2.gz HEGQPHRJUUZQNJ-HIFRSBDPSA-N 2 2 232.371 2.159 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CSC[C@H]1C ZINC000295612706 384628972 /nfs/dbraw/zinc/62/89/72/384628972.db2.gz GKCFHQXBTLMPBC-DGCLKSJQSA-N 2 2 236.384 2.274 50 0 BEAALP c1cn(Cc2ccc(-n3cc[nH+]c3)cc2)c[nH+]1 ZINC000073276355 384630335 /nfs/dbraw/zinc/63/03/35/384630335.db2.gz YCHCGNVDQSCYMS-UHFFFAOYSA-N 2 2 224.267 2.117 50 0 BEAALP C[C@H](C[NH2+]C1CCCCC1)Cn1cc[nH+]c1 ZINC000164466207 384995850 /nfs/dbraw/zinc/99/58/50/384995850.db2.gz RNZXPPDKYHFXAX-GFCCVEGCSA-N 2 2 221.348 2.442 50 0 BEAALP Cc1ccc(C[NH+]2CCC([NH3+])CC2)c(F)c1 ZINC000067801121 387855757 /nfs/dbraw/zinc/85/57/57/387855757.db2.gz RNYCGEBZPSEBDF-UHFFFAOYSA-N 2 2 222.307 2.057 50 0 BEAALP C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)cc1 ZINC000058946077 388613443 /nfs/dbraw/zinc/61/34/43/388613443.db2.gz JRJZRHRKWOJNJM-CQSZACIVSA-N 2 2 248.370 2.269 50 0 BEAALP C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccc(OC)cc1 ZINC000058946077 388613445 /nfs/dbraw/zinc/61/34/45/388613445.db2.gz JRJZRHRKWOJNJM-CQSZACIVSA-N 2 2 248.370 2.269 50 0 BEAALP CC(C)Oc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1 ZINC000032497101 167298752 /nfs/dbraw/zinc/29/87/52/167298752.db2.gz YQIGXGUELXVADN-CYBMUJFWSA-N 2 2 222.332 2.035 50 0 BEAALP C[NH+](C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000019861905 172533117 /nfs/dbraw/zinc/53/31/17/172533117.db2.gz RRKBCANPLPFWSQ-SNVBAGLBSA-N 2 2 243.148 2.011 50 0 BEAALP C[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000032445467 173337657 /nfs/dbraw/zinc/33/76/57/173337657.db2.gz YVTRGSINXCANDK-UHFFFAOYSA-N 2 2 210.365 2.395 50 0 BEAALP COc1cccc([C@H](C[NH3+])[NH+]2CCCCC2)c1 ZINC000032497037 175294440 /nfs/dbraw/zinc/29/44/40/175294440.db2.gz RLNXEHGLANHPOL-AWEZNQCLSA-N 2 2 234.343 2.181 50 0 BEAALP C[C@H]1CCC[C@H](C)[NH+]1C[C@@H]1CCCC[NH2+]1 ZINC000038971041 177132363 /nfs/dbraw/zinc/13/23/63/177132363.db2.gz QPCPEWNGTUGRKV-AVGNSLFASA-N 2 2 210.365 2.391 50 0 BEAALP CC(C)[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000045650325 487848108 /nfs/dbraw/zinc/84/81/08/487848108.db2.gz LYSFMBILQUBYDJ-OAHLLOKOSA-N 2 2 232.371 2.301 50 0 BEAALP CC(C)[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000045650325 487848112 /nfs/dbraw/zinc/84/81/12/487848112.db2.gz LYSFMBILQUBYDJ-OAHLLOKOSA-N 2 2 232.371 2.301 50 0 BEAALP CC[C@@H]1CCC[N@H+](CCc2[nH+]ccn2C)CC1 ZINC000822722749 968534005 /nfs/dbraw/zinc/53/40/05/968534005.db2.gz UJOFAHKOVRCGMF-CYBMUJFWSA-N 2 2 235.375 2.475 50 0 BEAALP CC[C@@H]1CCC[N@@H+](CCc2[nH+]ccn2C)CC1 ZINC000822722749 968534014 /nfs/dbraw/zinc/53/40/14/968534014.db2.gz UJOFAHKOVRCGMF-CYBMUJFWSA-N 2 2 235.375 2.475 50 0 BEAALP Cc1ccc(C[N@@H+](C)CCc2[nH+]ccn2C)cc1 ZINC001506431451 988785967 /nfs/dbraw/zinc/78/59/67/988785967.db2.gz KSIYBVHURXPEHP-UHFFFAOYSA-N 2 2 243.354 2.403 50 0 BEAALP Cc1ccc(C[N@H+](C)CCc2[nH+]ccn2C)cc1 ZINC001506431451 988785977 /nfs/dbraw/zinc/78/59/77/988785977.db2.gz KSIYBVHURXPEHP-UHFFFAOYSA-N 2 2 243.354 2.403 50 0 BEAALP Cc1cc(NCCNc2cccc[nH+]2)nc(C)[nH+]1 ZINC000058311002 178161622 /nfs/dbraw/zinc/16/16/22/178161622.db2.gz WZIZOHMYPJAPBG-UHFFFAOYSA-N 2 2 243.314 2.012 50 0 BEAALP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000097098509 398223671 /nfs/dbraw/zinc/22/36/71/398223671.db2.gz HYQGDGLMTBINIF-KGLIPLIRSA-N 2 2 233.359 2.465 50 0 BEAALP Cc1cc2[nH+]cn(C[C@@H]([NH3+])C3CC3)c2cc1C ZINC000069076960 178305752 /nfs/dbraw/zinc/30/57/52/178305752.db2.gz RGSOVRILCBJWCO-GFCCVEGCSA-N 2 2 229.327 2.390 50 0 BEAALP Cc1cc2[nH+]cn(C[C@@H](C)[NH3+])c2cc1C ZINC000019281656 178304697 /nfs/dbraw/zinc/30/46/97/178304697.db2.gz GHFBXCCYQPXBHJ-SNVBAGLBSA-N 2 2 203.289 2.000 50 0 BEAALP Cn1c2ccccc2[nH+]c1CCCCC[NH3+] ZINC000004093223 342742250 /nfs/dbraw/zinc/74/22/50/342742250.db2.gz OGPLEHKHDWFFSY-UHFFFAOYSA-N 2 2 217.316 2.245 50 0 BEAALP Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000002510444 342721682 /nfs/dbraw/zinc/72/16/82/342721682.db2.gz MFYSUMVTHDCUFZ-UHFFFAOYSA-N 2 2 229.327 2.371 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+]Cc1ccncc1F ZINC000449213208 398282974 /nfs/dbraw/zinc/28/29/74/398282974.db2.gz UUMSUZPOXOQPBB-UHFFFAOYSA-N 2 2 245.301 2.256 50 0 BEAALP [NH3+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000006581845 342779803 /nfs/dbraw/zinc/77/98/03/342779803.db2.gz PONXTPCRRASWKW-OKILXGFUSA-N 2 2 212.296 2.386 50 0 in-vivo BEAALP CC(C)Cc1ccc([C@H](C[NH3+])[NH+](C)C)cc1 ZINC000071522716 259332289 /nfs/dbraw/zinc/33/22/89/259332289.db2.gz UJMFIEQKFTVCQD-AWEZNQCLSA-N 2 2 220.360 2.447 50 0 BEAALP C[C@@H]([NH2+][C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000019946496 342963917 /nfs/dbraw/zinc/96/39/17/342963917.db2.gz YUJLYFFNXJRLDW-IUODEOHRSA-N 2 2 230.355 2.431 50 0 in-vitro BEAALP Clc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000045946202 343536127 /nfs/dbraw/zinc/53/61/27/343536127.db2.gz JDPKQJLHHOQDLJ-UHFFFAOYSA-N 2 2 235.718 2.395 50 0 BEAALP Clc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000045946202 343536128 /nfs/dbraw/zinc/53/61/28/343536128.db2.gz JDPKQJLHHOQDLJ-UHFFFAOYSA-N 2 2 235.718 2.395 50 0 BEAALP Cc1[nH+]cn(Cc2[nH+]ccn2C(F)F)c1C ZINC000071904314 180289819 /nfs/dbraw/zinc/28/98/19/180289819.db2.gz MEJAGGGIZOHTKL-UHFFFAOYSA-N 2 2 226.230 2.140 50 0 BEAALP [NH3+]CC[N@@H+]1CCCC[C@@H]1CCc1cccs1 ZINC000067691597 181392114 /nfs/dbraw/zinc/39/21/14/181392114.db2.gz CKIFXCRWLDUVCB-GFCCVEGCSA-N 2 2 238.400 2.494 50 0 BEAALP [NH3+]CC[N@H+]1CCCC[C@@H]1CCc1cccs1 ZINC000067691597 181392116 /nfs/dbraw/zinc/39/21/16/181392116.db2.gz CKIFXCRWLDUVCB-GFCCVEGCSA-N 2 2 238.400 2.494 50 0 BEAALP CC[NH+](CC)CC[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000021149454 371367449 /nfs/dbraw/zinc/36/74/49/371367449.db2.gz ZWDUJENMFBYCGT-CYBMUJFWSA-N 2 2 242.407 2.123 50 0 BEAALP c1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000034615654 183398066 /nfs/dbraw/zinc/39/80/66/183398066.db2.gz YIZAKHJUGTXWTG-CQSZACIVSA-N 2 2 216.328 2.015 50 0 BEAALP c1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000034615654 183398068 /nfs/dbraw/zinc/39/80/68/183398068.db2.gz YIZAKHJUGTXWTG-CQSZACIVSA-N 2 2 216.328 2.015 50 0 BEAALP Cc1cc[nH+]c(N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000091453494 383918591 /nfs/dbraw/zinc/91/85/91/383918591.db2.gz XQZVPCHTUZXNPP-CQSZACIVSA-N 2 2 245.370 2.455 50 0 BEAALP C[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC000036300924 383897478 /nfs/dbraw/zinc/89/74/78/383897478.db2.gz OUDOBRFGIQPWQO-UHFFFAOYSA-N 2 2 222.307 2.010 50 0 BEAALP C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC000036300924 383897485 /nfs/dbraw/zinc/89/74/85/383897485.db2.gz OUDOBRFGIQPWQO-UHFFFAOYSA-N 2 2 222.307 2.010 50 0 BEAALP Cc1ccc([C@@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000038638674 384090686 /nfs/dbraw/zinc/09/06/86/384090686.db2.gz RXHOQWINKPWMFD-CQSZACIVSA-N 2 2 218.344 2.481 50 0 BEAALP CC[NH+](CC)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000038860371 384097575 /nfs/dbraw/zinc/09/75/75/384097575.db2.gz LXTNKNAROJVMBB-CYBMUJFWSA-N 2 2 206.333 2.337 50 0 BEAALP [NH3+]C[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000038827583 384094097 /nfs/dbraw/zinc/09/40/97/384094097.db2.gz UVIGGJRPXIOCTF-CYBMUJFWSA-N 2 2 222.307 2.311 50 0 BEAALP CCc1ccc([C@@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000095098736 384366584 /nfs/dbraw/zinc/36/65/84/384366584.db2.gz QCGLRNJIKPUVEA-CQSZACIVSA-N 2 2 218.344 2.345 50 0 BEAALP Cc1ccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)o1 ZINC000019771722 384537931 /nfs/dbraw/zinc/53/79/31/384537931.db2.gz WFSUKYMRSHULEI-GFCCVEGCSA-N 2 2 222.332 2.320 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CSC[C@H]1C ZINC000295612708 384630303 /nfs/dbraw/zinc/63/03/03/384630303.db2.gz GKCFHQXBTLMPBC-YPMHNXCESA-N 2 2 236.384 2.274 50 0 BEAALP Cc1ccc(CCNc2cc(C)[nH+]c(C)n2)c[nH+]1 ZINC000080981756 384733169 /nfs/dbraw/zinc/73/31/69/384733169.db2.gz GHUIGNYBHBCEOV-UHFFFAOYSA-N 2 2 242.326 2.451 50 0 BEAALP CC(C)(C)[C@H]([NH3+])C[N@@H+]1CCc2ccccc2C1 ZINC000023069599 384786367 /nfs/dbraw/zinc/78/63/67/384786367.db2.gz CVAAGXPJOVJPNL-CQSZACIVSA-N 2 2 232.371 2.418 50 0 BEAALP CC(C)(C)[C@H]([NH3+])C[N@H+]1CCc2ccccc2C1 ZINC000023069599 384786373 /nfs/dbraw/zinc/78/63/73/384786373.db2.gz CVAAGXPJOVJPNL-CQSZACIVSA-N 2 2 232.371 2.418 50 0 BEAALP c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]c1 ZINC000095356827 384899789 /nfs/dbraw/zinc/89/97/89/384899789.db2.gz QWSSUZQLHVGKHB-VXGBXAGGSA-N 2 2 217.316 2.120 50 0 BEAALP c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]c1 ZINC000095356827 384899797 /nfs/dbraw/zinc/89/97/97/384899797.db2.gz QWSSUZQLHVGKHB-VXGBXAGGSA-N 2 2 217.316 2.120 50 0 BEAALP Clc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1Cl ZINC000072203644 385054551 /nfs/dbraw/zinc/05/45/51/385054551.db2.gz QQGBVEVFLBEWKI-VIFPVBQESA-N 2 2 245.153 2.445 50 0 BEAALP C[NH+](C)CCNc1[nH+]ccc2ccccc21 ZINC000005668192 172469133 /nfs/dbraw/zinc/46/91/33/172469133.db2.gz LIDNDZMFIDRUBR-UHFFFAOYSA-N 2 2 215.300 2.208 50 0 BEAALP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000069796121 173145142 /nfs/dbraw/zinc/14/51/42/173145142.db2.gz ROGPDGDVTBVNPY-SKDRFNHKSA-N 2 2 242.725 2.431 50 0 BEAALP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000069796121 173145145 /nfs/dbraw/zinc/14/51/45/173145145.db2.gz ROGPDGDVTBVNPY-SKDRFNHKSA-N 2 2 242.725 2.431 50 0 BEAALP COc1ccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000032522373 175178285 /nfs/dbraw/zinc/17/82/85/175178285.db2.gz GQYRFJTWOUTTBI-OAHLLOKOSA-N 2 2 248.370 2.427 50 0 BEAALP COc1ccccc1[C@H](C[NH3+])[NH+]1CCC(C)CC1 ZINC000032522383 175353245 /nfs/dbraw/zinc/35/32/45/175353245.db2.gz ZIYVUKBXAFBXFB-AWEZNQCLSA-N 2 2 248.370 2.427 50 0 BEAALP Cc1[nH]c2cc(C[NH2+][C@H]3CCCOC3)ccc2[nH+]1 ZINC000670437237 491105320 /nfs/dbraw/zinc/10/53/20/491105320.db2.gz IMDUMOYIMYIFHM-LBPRGKRZSA-N 2 2 245.326 2.140 50 0 BEAALP Cc1[nH]c2ccc(C[NH2+][C@H]3CCCOC3)cc2[nH+]1 ZINC000670437237 491105321 /nfs/dbraw/zinc/10/53/21/491105321.db2.gz IMDUMOYIMYIFHM-LBPRGKRZSA-N 2 2 245.326 2.140 50 0 BEAALP Cc1ccsc1C[N@@H+](C)CCc1[nH+]ccn1C ZINC001506404409 988774280 /nfs/dbraw/zinc/77/42/80/988774280.db2.gz XSRUZMGERDFWAX-UHFFFAOYSA-N 2 2 249.383 2.465 50 0 BEAALP Cc1ccsc1C[N@H+](C)CCc1[nH+]ccn1C ZINC001506404409 988774288 /nfs/dbraw/zinc/77/42/88/988774288.db2.gz XSRUZMGERDFWAX-UHFFFAOYSA-N 2 2 249.383 2.465 50 0 BEAALP CC[NH+]1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000000212347 342680323 /nfs/dbraw/zinc/68/03/23/342680323.db2.gz QKSIBRFLICACHY-UHFFFAOYSA-N 2 2 236.334 2.400 50 0 BEAALP Cc1c[nH+]ccc1C[C@H]1CCCCC[NH2+]1 ZINC000004234904 342744810 /nfs/dbraw/zinc/74/48/10/342744810.db2.gz OSNDCBRJTAIDGW-CYBMUJFWSA-N 2 2 204.317 2.465 50 0 BEAALP Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)s1 ZINC000004243932 342745414 /nfs/dbraw/zinc/74/54/14/342745414.db2.gz XQHQYJNQYWXGQJ-UHFFFAOYSA-N 2 2 235.356 2.433 50 0 BEAALP Fc1ccc2[nH]c(C[C@@H]3CCC[NH2+]C3)[nH+]c2c1 ZINC000014001478 342875601 /nfs/dbraw/zinc/87/56/01/342875601.db2.gz YZRFWOLEIOWWJN-VIFPVBQESA-N 2 2 233.290 2.244 50 0 BEAALP CC(C)Cc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1 ZINC000071522715 259331964 /nfs/dbraw/zinc/33/19/64/259331964.db2.gz UJMFIEQKFTVCQD-CQSZACIVSA-N 2 2 220.360 2.447 50 0 BEAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000019527251 342950921 /nfs/dbraw/zinc/95/09/21/342950921.db2.gz JMWQMSVWBMUOHQ-CQSZACIVSA-N 2 2 218.344 2.261 50 0 BEAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000019527251 342950924 /nfs/dbraw/zinc/95/09/24/342950924.db2.gz JMWQMSVWBMUOHQ-CQSZACIVSA-N 2 2 218.344 2.261 50 0 BEAALP C[NH+](C)[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000021948259 343028603 /nfs/dbraw/zinc/02/86/03/343028603.db2.gz WSFINPCMQGMMKB-JTQLQIEISA-N 2 2 232.249 2.267 50 0 BEAALP CC[NH+]1CCC([NH2+]Cc2ccccc2OC)CC1 ZINC000004989339 343139285 /nfs/dbraw/zinc/13/92/85/343139285.db2.gz IZFUCSGOHHGKMZ-UHFFFAOYSA-N 2 2 248.370 2.269 50 0 BEAALP CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCC[NH2+]1 ZINC000032012424 343228279 /nfs/dbraw/zinc/22/82/79/343228279.db2.gz NTFVIIAEJUAUIK-STQMWFEESA-N 2 2 210.365 2.393 50 0 BEAALP CC[C@H]1CCCC[N@H+]1C[C@@H]1CCCC[NH2+]1 ZINC000032012424 343228280 /nfs/dbraw/zinc/22/82/80/343228280.db2.gz NTFVIIAEJUAUIK-STQMWFEESA-N 2 2 210.365 2.393 50 0 BEAALP CC[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000042783285 343452744 /nfs/dbraw/zinc/45/27/44/343452744.db2.gz UAJKVHDLTQTDQO-AWEZNQCLSA-N 2 2 218.344 2.261 50 0 BEAALP CC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000042783285 343452748 /nfs/dbraw/zinc/45/27/48/343452748.db2.gz UAJKVHDLTQTDQO-AWEZNQCLSA-N 2 2 218.344 2.261 50 0 BEAALP Cc1ccccc1C[C@@H](C)[NH2+]CC[NH+](C)C ZINC000195579100 179288407 /nfs/dbraw/zinc/28/84/07/179288407.db2.gz AFCOTXXVKYTOKV-CYBMUJFWSA-N 2 2 220.360 2.077 50 0 BEAALP Cc1[nH+]c2ccccc2n1C1CC[NH2+]CC1 ZINC000002577369 180103469 /nfs/dbraw/zinc/10/34/69/180103469.db2.gz WGJYFRCGHVCIHT-UHFFFAOYSA-N 2 2 215.300 2.269 50 0 BEAALP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)c2cccnc2)n1C ZINC000216225320 180140229 /nfs/dbraw/zinc/14/02/29/180140229.db2.gz MWVYMXOHGILMPO-NSHDSACASA-N 2 2 244.342 2.317 50 0 BEAALP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)c2cccnc2)n1C ZINC000216225320 180140231 /nfs/dbraw/zinc/14/02/31/180140231.db2.gz MWVYMXOHGILMPO-NSHDSACASA-N 2 2 244.342 2.317 50 0 BEAALP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)c2cccnc2)n1C ZINC000216225367 180140238 /nfs/dbraw/zinc/14/02/38/180140238.db2.gz MWVYMXOHGILMPO-LLVKDONJSA-N 2 2 244.342 2.317 50 0 BEAALP Cc1[nH+]cc(C[N@H+](C)[C@H](C)c2cccnc2)n1C ZINC000216225367 180140240 /nfs/dbraw/zinc/14/02/40/180140240.db2.gz MWVYMXOHGILMPO-LLVKDONJSA-N 2 2 244.342 2.317 50 0 BEAALP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cccc[nH+]1 ZINC000225598566 180266213 /nfs/dbraw/zinc/26/62/13/180266213.db2.gz UAYQKUUKJIVJQE-ZDUSSCGKSA-N 2 2 242.326 2.256 50 0 BEAALP CC[C@@H](c1ccc(OC)cc1)[N@H+](C)CC[NH3+] ZINC000054416966 363096873 /nfs/dbraw/zinc/09/68/73/363096873.db2.gz DKBHIZRQCLZEIU-ZDUSSCGKSA-N 2 2 222.332 2.037 50 0 BEAALP CC[C@@H](c1ccc(OC)cc1)[N@@H+](C)CC[NH3+] ZINC000054416966 363096881 /nfs/dbraw/zinc/09/68/81/363096881.db2.gz DKBHIZRQCLZEIU-ZDUSSCGKSA-N 2 2 222.332 2.037 50 0 BEAALP CCCCn1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC000096032245 169037366 /nfs/dbraw/zinc/03/73/66/169037366.db2.gz XQQQPTGSSVMHCI-NSHDSACASA-N 2 2 207.321 2.150 50 0 BEAALP c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)nc1 ZINC000000317875 183395963 /nfs/dbraw/zinc/39/59/63/183395963.db2.gz FWFDMSSNNNZSPN-UHFFFAOYSA-N 2 2 245.370 2.142 50 0 BEAALP C/C(=C\c1ccco1)C[N@@H+]1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091526792 384130279 /nfs/dbraw/zinc/13/02/79/384130279.db2.gz KMSUTWNKQCFGFS-CYSMCQCQSA-N 2 2 246.354 2.352 50 0 BEAALP C/C(=C\c1ccco1)C[N@H+]1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091526792 384130287 /nfs/dbraw/zinc/13/02/87/384130287.db2.gz KMSUTWNKQCFGFS-CYSMCQCQSA-N 2 2 246.354 2.352 50 0 BEAALP c1ccc2[nH+]c(C[C@@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000014001490 384381579 /nfs/dbraw/zinc/38/15/79/384381579.db2.gz ZXNJYJAWLLYPDM-JTQLQIEISA-N 2 2 215.300 2.105 50 0 BEAALP [NH3+][C@@H]1CCc2[nH+]c(-c3cc(F)ccc3F)cn2C1 ZINC000079776782 384512833 /nfs/dbraw/zinc/51/28/33/384512833.db2.gz HKGDSXMMICYYRW-SECBINFHSA-N 2 2 249.264 2.102 50 0 BEAALP [NH3+][C@@H]1CCc2[nH+]c(-c3ccc(F)cc3F)cn2C1 ZINC000079776717 384513455 /nfs/dbraw/zinc/51/34/55/384513455.db2.gz YIWYYJSTUDOPBR-SECBINFHSA-N 2 2 249.264 2.102 50 0 BEAALP CC(C)c1nc(C[N@H+](C)CCn2cc[nH+]c2)co1 ZINC000097480160 384525298 /nfs/dbraw/zinc/52/52/98/384525298.db2.gz QDLQBOSOZYUOIK-UHFFFAOYSA-N 2 2 248.330 2.127 50 0 BEAALP CCCC[N@H+](CC[NH3+])Cc1cccs1 ZINC000032919832 385193210 /nfs/dbraw/zinc/19/32/10/385193210.db2.gz RXHWTPXARXDAFU-UHFFFAOYSA-N 2 2 212.362 2.309 50 0 BEAALP CCCC[N@@H+](CC[NH3+])Cc1cccs1 ZINC000032919832 385193214 /nfs/dbraw/zinc/19/32/14/385193214.db2.gz RXHWTPXARXDAFU-UHFFFAOYSA-N 2 2 212.362 2.309 50 0 BEAALP CC[NH+](CC)[C@H](C[NH3+])c1cccc(OC)c1 ZINC000032497126 385167330 /nfs/dbraw/zinc/16/73/30/385167330.db2.gz FDSWKHRJTLVBAX-CYBMUJFWSA-N 2 2 222.332 2.037 50 0 BEAALP Cc1nc(NC[C@H]2CCC[NH2+]C2)c(C(C)C)c[nH+]1 ZINC000534670062 411164076 /nfs/dbraw/zinc/16/40/76/411164076.db2.gz VYJNNGQPDJFPED-LBPRGKRZSA-N 2 2 248.374 2.320 50 0 BEAALP CC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000101192379 170167623 /nfs/dbraw/zinc/16/76/23/170167623.db2.gz KYHJIZBPFBUCSV-OCCSQVGLSA-N 2 2 218.344 2.431 50 0 BEAALP CC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000101192379 170167625 /nfs/dbraw/zinc/16/76/25/170167625.db2.gz KYHJIZBPFBUCSV-OCCSQVGLSA-N 2 2 218.344 2.431 50 0 BEAALP COc1ccc([C@@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000032509080 175178357 /nfs/dbraw/zinc/17/83/57/175178357.db2.gz AJXUGVNIFNKCNF-CQSZACIVSA-N 2 2 234.343 2.181 50 0 BEAALP C[C@@H](Cc1ccccc1F)[NH2+]CCn1cc[nH+]c1 ZINC000157398598 175774209 /nfs/dbraw/zinc/77/42/09/175774209.db2.gz OCHDCZUPMFQOKV-LBPRGKRZSA-N 2 2 247.317 2.243 50 0 BEAALP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000022455344 176233127 /nfs/dbraw/zinc/23/31/27/176233127.db2.gz OIFGPLMAELDRMO-OLZOCXBDSA-N 2 2 210.365 2.251 50 0 BEAALP c1ccc(CCCC[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000122442219 323172342 /nfs/dbraw/zinc/17/23/42/323172342.db2.gz BRBUNPVRQBSFIK-JKSUJKDBSA-N 2 2 244.382 2.303 50 0 BEAALP c1ccc(CCCC[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000122442219 323172343 /nfs/dbraw/zinc/17/23/43/323172343.db2.gz BRBUNPVRQBSFIK-JKSUJKDBSA-N 2 2 244.382 2.303 50 0 BEAALP c1[nH]cc(CC[NH2+]C2CCCCCC2)[nH+]1 ZINC000000220119 342680442 /nfs/dbraw/zinc/68/04/42/342680442.db2.gz VKBBZXVRIYBPFO-UHFFFAOYSA-N 2 2 207.321 2.265 50 0 BEAALP c1[nH]c(CC[NH2+]C2CCCCCC2)c[nH+]1 ZINC000000220119 342680443 /nfs/dbraw/zinc/68/04/43/342680443.db2.gz VKBBZXVRIYBPFO-UHFFFAOYSA-N 2 2 207.321 2.265 50 0 BEAALP Fc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000002510442 342721808 /nfs/dbraw/zinc/72/18/08/342721808.db2.gz HAQKVBPVRIFGKX-UHFFFAOYSA-N 2 2 233.290 2.202 50 0 BEAALP C[NH+](C)[C@H](C[NH3+])c1cccc2ccccc21 ZINC000019255420 342944611 /nfs/dbraw/zinc/94/46/11/342944611.db2.gz MZFYSDVTOUQHHF-CQSZACIVSA-N 2 2 214.312 2.401 50 0 BEAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000019527252 342951024 /nfs/dbraw/zinc/95/10/24/342951024.db2.gz JMWQMSVWBMUOHQ-AWEZNQCLSA-N 2 2 218.344 2.261 50 0 BEAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000019527252 342951025 /nfs/dbraw/zinc/95/10/25/342951025.db2.gz JMWQMSVWBMUOHQ-AWEZNQCLSA-N 2 2 218.344 2.261 50 0 BEAALP C1C[C@H]2[C@@H](C3CCCCC3)[NH2+]CC[N@@H+]2C1 ZINC000022456083 343049313 /nfs/dbraw/zinc/04/93/13/343049313.db2.gz HWGJYRYPRGQACU-QWHCGFSZSA-N 2 2 208.349 2.003 50 0 BEAALP C1C[C@H]2[C@@H](C3CCCCC3)[NH2+]CC[N@H+]2C1 ZINC000022456083 343049316 /nfs/dbraw/zinc/04/93/16/343049316.db2.gz HWGJYRYPRGQACU-QWHCGFSZSA-N 2 2 208.349 2.003 50 0 BEAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000022935949 343057132 /nfs/dbraw/zinc/05/71/32/343057132.db2.gz NTYZVAOTCYZUKE-CQSZACIVSA-N 2 2 236.334 2.400 50 0 BEAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000022935949 343057134 /nfs/dbraw/zinc/05/71/34/343057134.db2.gz NTYZVAOTCYZUKE-CQSZACIVSA-N 2 2 236.334 2.400 50 0 BEAALP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000000237891 343269548 /nfs/dbraw/zinc/26/95/48/343269548.db2.gz UGFLYMWKHHABKT-UHFFFAOYSA-N 2 2 236.334 2.352 50 0 BEAALP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000000237891 343269549 /nfs/dbraw/zinc/26/95/49/343269549.db2.gz UGFLYMWKHHABKT-UHFFFAOYSA-N 2 2 236.334 2.352 50 0 BEAALP Cc1ccc2[nH]c(CC[NH2+]C(C)C)[nH+]c2c1 ZINC000037474921 343346378 /nfs/dbraw/zinc/34/63/78/343346378.db2.gz QMIPJZZBKOWSEJ-UHFFFAOYSA-N 2 2 217.316 2.412 50 0 BEAALP [NH3+][C@@H](Cc1ccccc1)C[NH+]1CCCCC1 ZINC000039141172 343386334 /nfs/dbraw/zinc/38/63/34/343386334.db2.gz TXLIXMQWPQGLPR-AWEZNQCLSA-N 2 2 218.344 2.042 50 0 BEAALP Cc1ccccc1C[C@H](C)[NH2+]CC[NH+](C)C ZINC000195579101 179290894 /nfs/dbraw/zinc/29/08/94/179290894.db2.gz AFCOTXXVKYTOKV-ZDUSSCGKSA-N 2 2 220.360 2.077 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CSC[C@@H]1C ZINC000295612705 179696467 /nfs/dbraw/zinc/69/64/67/179696467.db2.gz GKCFHQXBTLMPBC-AAEUAGOBSA-N 2 2 236.384 2.274 50 0 BEAALP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@@H+]1C ZINC000251709295 538052307 /nfs/dbraw/zinc/05/23/07/538052307.db2.gz IAVFJLYQOSGXDO-VOAKCMCISA-N 2 2 210.365 2.247 50 0 BEAALP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@H+]1C ZINC000251709295 538052317 /nfs/dbraw/zinc/05/23/17/538052317.db2.gz IAVFJLYQOSGXDO-VOAKCMCISA-N 2 2 210.365 2.247 50 0 BEAALP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000251772151 538057099 /nfs/dbraw/zinc/05/70/99/538057099.db2.gz WCXWZSOZNVKZAE-UPJWGTAASA-N 2 2 210.365 2.249 50 0 BEAALP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000251772151 538057101 /nfs/dbraw/zinc/05/71/01/538057101.db2.gz WCXWZSOZNVKZAE-UPJWGTAASA-N 2 2 210.365 2.249 50 0 BEAALP Fc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000072163144 181011474 /nfs/dbraw/zinc/01/14/74/181011474.db2.gz ZQMCOWFRNJAQRP-HNNXBMFYSA-N 2 2 248.345 2.401 50 0 BEAALP Fc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000072163144 181011475 /nfs/dbraw/zinc/01/14/75/181011475.db2.gz ZQMCOWFRNJAQRP-HNNXBMFYSA-N 2 2 248.345 2.401 50 0 BEAALP CC(C)(C)c1cn2c([nH+]1)[C@H](C[NH3+])CCC2 ZINC000072226605 384202622 /nfs/dbraw/zinc/20/26/22/384202622.db2.gz XDRYWVURGYHVCE-VIFPVBQESA-N 2 2 207.321 2.017 50 0 BEAALP C[N@H+](CCOCc1[nH]cc[nH+]1)Cc1ccccc1 ZINC000408521632 384287758 /nfs/dbraw/zinc/28/77/58/384287758.db2.gz DMGJDMSBGKHAQA-UHFFFAOYSA-N 2 2 245.326 2.058 50 0 BEAALP C[N@@H+](CCOCc1[nH]cc[nH+]1)Cc1ccccc1 ZINC000408521632 384287761 /nfs/dbraw/zinc/28/77/61/384287761.db2.gz DMGJDMSBGKHAQA-UHFFFAOYSA-N 2 2 245.326 2.058 50 0 BEAALP Cc1ccc([C@@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000095100152 384365655 /nfs/dbraw/zinc/36/56/55/384365655.db2.gz LKZLXWFCBLLWEP-CYBMUJFWSA-N 2 2 204.317 2.091 50 0 BEAALP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cscn1)CCC2 ZINC000084613352 384405272 /nfs/dbraw/zinc/40/52/72/384405272.db2.gz IPZLFONVGNVKOA-SNVBAGLBSA-N 2 2 248.355 2.007 50 0 BEAALP [NH3+][C@H]1CCc2[nH+]c(-c3ccc(F)cc3F)cn2C1 ZINC000079776714 384514597 /nfs/dbraw/zinc/51/45/97/384514597.db2.gz YIWYYJSTUDOPBR-VIFPVBQESA-N 2 2 249.264 2.102 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000295612707 384630455 /nfs/dbraw/zinc/63/04/55/384630455.db2.gz GKCFHQXBTLMPBC-WCQYABFASA-N 2 2 236.384 2.274 50 0 BEAALP [NH3+]C[C@H](c1cccc(F)c1)[NH+]1CCCCC1 ZINC000022176732 384743526 /nfs/dbraw/zinc/74/35/26/384743526.db2.gz JQIARQLCOJMLDZ-CYBMUJFWSA-N 2 2 222.307 2.311 50 0 BEAALP Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)o1 ZINC000195573469 388494612 /nfs/dbraw/zinc/49/46/12/388494612.db2.gz NCNYSLJOXAYNIJ-CYBMUJFWSA-N 2 2 245.326 2.449 50 0 BEAALP Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)o1 ZINC000195573469 388494615 /nfs/dbraw/zinc/49/46/15/388494615.db2.gz NCNYSLJOXAYNIJ-CYBMUJFWSA-N 2 2 245.326 2.449 50 0 BEAALP C[C@@H]1C[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000052273500 132362225 /nfs/dbraw/zinc/36/22/25/132362225.db2.gz HIEZULJZBHYDOO-YPMHNXCESA-N 2 2 231.343 2.048 50 0 BEAALP CC1CC[NH+]([C@@H](C[NH3+])c2ccco2)CC1 ZINC000019201134 168186433 /nfs/dbraw/zinc/18/64/33/168186433.db2.gz SLVHXCZXAVMWOH-NSHDSACASA-N 2 2 208.305 2.011 50 0 BEAALP CCC(CC)[NH2+][C@@H](CC)Cn1cc[nH+]c1 ZINC000065397126 168391682 /nfs/dbraw/zinc/39/16/82/168391682.db2.gz JOKPLPNMZKXACG-LBPRGKRZSA-N 2 2 209.337 2.440 50 0 BEAALP c1coc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000020128730 342970536 /nfs/dbraw/zinc/97/05/36/342970536.db2.gz KHZUXLWLVRLXSX-UHFFFAOYSA-N 2 2 222.332 2.245 50 0 BEAALP CC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000020486667 342987328 /nfs/dbraw/zinc/98/73/28/342987328.db2.gz LZWFLHHYCLWAHT-CQSZACIVSA-N 2 2 218.344 2.261 50 0 BEAALP CC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000020486667 342987330 /nfs/dbraw/zinc/98/73/30/342987330.db2.gz LZWFLHHYCLWAHT-CQSZACIVSA-N 2 2 218.344 2.261 50 0 BEAALP CC[N@H+](C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000037246786 343340908 /nfs/dbraw/zinc/34/09/08/343340908.db2.gz GSXXHJOFNCOJII-ZDUSSCGKSA-N 2 2 210.365 2.393 50 0 BEAALP CC[N@@H+](C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000037246786 343340909 /nfs/dbraw/zinc/34/09/09/343340909.db2.gz GSXXHJOFNCOJII-ZDUSSCGKSA-N 2 2 210.365 2.393 50 0 BEAALP Cc1ccsc1C[NH2+]CCCn1cc[nH+]c1 ZINC000039170031 343386606 /nfs/dbraw/zinc/38/66/06/343386606.db2.gz FAKVIUUPELVONL-UHFFFAOYSA-N 2 2 235.356 2.433 50 0 BEAALP Cc1cccc(NC[C@@H](C2CC2)[NH+](C)C)[nH+]1 ZINC000097163295 179146283 /nfs/dbraw/zinc/14/62/83/179146283.db2.gz RNYAPORLDJKMCO-LBPRGKRZSA-N 2 2 219.332 2.142 50 0 BEAALP Cc1ccccc1C[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000019946085 179283923 /nfs/dbraw/zinc/28/39/23/179283923.db2.gz WNQLEIVPEWRPDL-HNNXBMFYSA-N 2 2 230.355 2.179 50 0 BEAALP Cc1[nH+]c2cc(C[NH3+])ccc2n1C1CC1 ZINC000062213984 180078262 /nfs/dbraw/zinc/07/82/62/180078262.db2.gz VIJGVXICSQVKTC-UHFFFAOYSA-N 2 2 201.273 2.138 50 0 BEAALP CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000251772149 538056936 /nfs/dbraw/zinc/05/69/36/538056936.db2.gz WCXWZSOZNVKZAE-AGIUHOORSA-N 2 2 210.365 2.249 50 0 BEAALP CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000251772149 538056939 /nfs/dbraw/zinc/05/69/39/538056939.db2.gz WCXWZSOZNVKZAE-AGIUHOORSA-N 2 2 210.365 2.249 50 0 BEAALP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@@H+]1C ZINC000089927287 538586587 /nfs/dbraw/zinc/58/65/87/538586587.db2.gz IAVFJLYQOSGXDO-MROQNXINSA-N 2 2 210.365 2.247 50 0 BEAALP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@H+]1C ZINC000089927287 538586597 /nfs/dbraw/zinc/58/65/97/538586597.db2.gz IAVFJLYQOSGXDO-MROQNXINSA-N 2 2 210.365 2.247 50 0 BEAALP CC(C)[NH+]1CCC([N@H+](C)Cc2cccnc2)CC1 ZINC000069489484 373306053 /nfs/dbraw/zinc/30/60/53/373306053.db2.gz LGCPWTSCSQHJJW-UHFFFAOYSA-N 2 2 247.386 2.386 50 0 BEAALP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccnc2)CC1 ZINC000069489484 373306058 /nfs/dbraw/zinc/30/60/58/373306058.db2.gz LGCPWTSCSQHJJW-UHFFFAOYSA-N 2 2 247.386 2.386 50 0 BEAALP c1ccc(C[NH+]2CCC3(CC2)[NH2+]CCS3)cc1 ZINC000043827590 183396773 /nfs/dbraw/zinc/39/67/73/183396773.db2.gz YZPZCDOJDXFOCJ-UHFFFAOYSA-N 2 2 248.395 2.315 50 0 BEAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1=CCCCC1 ZINC000067673065 383937198 /nfs/dbraw/zinc/93/71/98/383937198.db2.gz CIPZIDIVOHWQPK-LBPRGKRZSA-N 2 2 219.332 2.362 50 0 BEAALP C(C[NH+]1CCCCC1)[NH2+]C1CCCCC1 ZINC000041225111 384182323 /nfs/dbraw/zinc/18/23/23/384182323.db2.gz DENYUEYTPIANDQ-UHFFFAOYSA-N 2 2 210.365 2.395 50 0 BEAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCSC1 ZINC000134816545 384426718 /nfs/dbraw/zinc/42/67/18/384426718.db2.gz OAWULEOGVCLGTC-ZDUSSCGKSA-N 2 2 236.384 2.418 50 0 BEAALP c1cn(CC2CCC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC000096032247 384422437 /nfs/dbraw/zinc/42/24/37/384422437.db2.gz HDWILNNFKKEOEC-LBPRGKRZSA-N 2 2 219.332 2.150 50 0 BEAALP CC[NH+](CC)CC[NH2+]CC1CCCCC1 ZINC000096319056 384453562 /nfs/dbraw/zinc/45/35/62/384453562.db2.gz XRZYZFNPFFTJKR-UHFFFAOYSA-N 2 2 212.381 2.498 50 0 BEAALP [NH3+]C[C@@H](c1c[nH]c2ccccc12)[NH+]1CCCC1 ZINC000019779372 384538489 /nfs/dbraw/zinc/53/84/89/384538489.db2.gz HDFMTMKGSKNKOH-AWEZNQCLSA-N 2 2 229.327 2.264 50 0 BEAALP C1C[C@H]2[C@H](C3CCCCC3)[NH2+]CC[N@@H+]2C1 ZINC000020169264 384590642 /nfs/dbraw/zinc/59/06/42/384590642.db2.gz HWGJYRYPRGQACU-STQMWFEESA-N 2 2 208.349 2.003 50 0 BEAALP C1C[C@H]2[C@H](C3CCCCC3)[NH2+]CC[N@H+]2C1 ZINC000020169264 384590649 /nfs/dbraw/zinc/59/06/49/384590649.db2.gz HWGJYRYPRGQACU-STQMWFEESA-N 2 2 208.349 2.003 50 0 BEAALP CC[C@H]1CCCC[N@@H+]1C[C@H]1CCCC[NH2+]1 ZINC000248029126 384591663 /nfs/dbraw/zinc/59/16/63/384591663.db2.gz NTFVIIAEJUAUIK-OLZOCXBDSA-N 2 2 210.365 2.393 50 0 BEAALP CC[C@H]1CCCC[N@H+]1C[C@H]1CCCC[NH2+]1 ZINC000248029126 384591669 /nfs/dbraw/zinc/59/16/69/384591669.db2.gz NTFVIIAEJUAUIK-OLZOCXBDSA-N 2 2 210.365 2.393 50 0 BEAALP C[NH2+][C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000053203829 384772328 /nfs/dbraw/zinc/77/23/28/384772328.db2.gz FNSVDRGNYBBUHT-HNNXBMFYSA-N 2 2 232.371 2.303 50 0 BEAALP C[NH2+][C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000053203829 384772335 /nfs/dbraw/zinc/77/23/35/384772335.db2.gz FNSVDRGNYBBUHT-HNNXBMFYSA-N 2 2 232.371 2.303 50 0 BEAALP c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]c1 ZINC000095356828 384900487 /nfs/dbraw/zinc/90/04/87/384900487.db2.gz QWSSUZQLHVGKHB-NWDGAFQWSA-N 2 2 217.316 2.120 50 0 BEAALP c1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]c1 ZINC000095356828 384900489 /nfs/dbraw/zinc/90/04/89/384900489.db2.gz QWSSUZQLHVGKHB-NWDGAFQWSA-N 2 2 217.316 2.120 50 0 BEAALP C[C@H]1CCCC[C@@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000119999180 385133819 /nfs/dbraw/zinc/13/38/19/385133819.db2.gz ANXANKBEWPXVKS-STQMWFEESA-N 2 2 221.348 2.394 50 0 BEAALP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000119999180 385133829 /nfs/dbraw/zinc/13/38/29/385133829.db2.gz ANXANKBEWPXVKS-STQMWFEESA-N 2 2 221.348 2.394 50 0 BEAALP C[C@@H]1CCCC[C@@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000119999091 385134199 /nfs/dbraw/zinc/13/41/99/385134199.db2.gz ANXANKBEWPXVKS-OLZOCXBDSA-N 2 2 221.348 2.394 50 0 BEAALP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000119999091 385134204 /nfs/dbraw/zinc/13/42/04/385134204.db2.gz ANXANKBEWPXVKS-OLZOCXBDSA-N 2 2 221.348 2.394 50 0 BEAALP c1cn(-c2ccc(C[NH+]3CCCC3)cc2)c[nH+]1 ZINC000065410857 385306098 /nfs/dbraw/zinc/30/60/98/385306098.db2.gz WYJGBRHJBROONW-UHFFFAOYSA-N 2 2 227.311 2.468 50 0 BEAALP CC(C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2ccoc2)C1 ZINC000252488398 385651456 /nfs/dbraw/zinc/65/14/56/385651456.db2.gz IRBROWHELPRSAK-ZDUSSCGKSA-N 2 2 236.359 2.442 50 0 BEAALP CC(C)[N@H+]1CC[C@@H](C[NH+](C)Cc2ccoc2)C1 ZINC000252488398 385651460 /nfs/dbraw/zinc/65/14/60/385651460.db2.gz IRBROWHELPRSAK-ZDUSSCGKSA-N 2 2 236.359 2.442 50 0 BEAALP CC(C)[NH+]1CC[C@@H](C[N@H+](C)Cc2ccoc2)C1 ZINC000252488398 385651464 /nfs/dbraw/zinc/65/14/64/385651464.db2.gz IRBROWHELPRSAK-ZDUSSCGKSA-N 2 2 236.359 2.442 50 0 BEAALP CC(C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2ccoc2)C1 ZINC000252488398 385651467 /nfs/dbraw/zinc/65/14/67/385651467.db2.gz IRBROWHELPRSAK-ZDUSSCGKSA-N 2 2 236.359 2.442 50 0 BEAALP Fc1ccc(/C=C\C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000222099365 386037098 /nfs/dbraw/zinc/03/70/98/386037098.db2.gz KSFKJYBHQKKCMG-IWQZZHSRSA-N 2 2 234.318 2.134 50 0 BEAALP Fc1ccc(/C=C\C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000222099365 386037103 /nfs/dbraw/zinc/03/71/03/386037103.db2.gz KSFKJYBHQKKCMG-IWQZZHSRSA-N 2 2 234.318 2.134 50 0 BEAALP CC(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000026514590 167133892 /nfs/dbraw/zinc/13/38/92/167133892.db2.gz ZELZJSMTYJIMIM-CQSZACIVSA-N 2 2 218.344 2.259 50 0 BEAALP CC(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000026514590 167133893 /nfs/dbraw/zinc/13/38/93/167133893.db2.gz ZELZJSMTYJIMIM-CQSZACIVSA-N 2 2 218.344 2.259 50 0 BEAALP CC[NH+](CC)CCNc1[nH+]c2ccccc2n1C ZINC000000513001 169782320 /nfs/dbraw/zinc/78/23/20/169782320.db2.gz ANQFANBARSQZLG-UHFFFAOYSA-N 2 2 246.358 2.327 50 0 BEAALP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050228044 167294744 /nfs/dbraw/zinc/29/47/44/167294744.db2.gz WXCPAUMCLUCTOA-ZDUSSCGKSA-N 2 2 234.343 2.007 50 0 BEAALP CC(C)Oc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050228044 167294746 /nfs/dbraw/zinc/29/47/46/167294746.db2.gz WXCPAUMCLUCTOA-ZDUSSCGKSA-N 2 2 234.343 2.007 50 0 BEAALP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000036379854 170151621 /nfs/dbraw/zinc/15/16/21/170151621.db2.gz KYHJIZBPFBUCSV-GXTWGEPZSA-N 2 2 218.344 2.431 50 0 BEAALP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000036379854 170151624 /nfs/dbraw/zinc/15/16/24/170151624.db2.gz KYHJIZBPFBUCSV-GXTWGEPZSA-N 2 2 218.344 2.431 50 0 BEAALP C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000039957457 173366609 /nfs/dbraw/zinc/36/66/09/173366609.db2.gz OTALFDMWEXVUBN-AWEZNQCLSA-N 2 2 218.344 2.433 50 0 BEAALP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCCC1 ZINC000037482370 176072173 /nfs/dbraw/zinc/07/21/73/176072173.db2.gz NXFBXHRKACHCMC-GFCCVEGCSA-N 2 2 210.365 2.393 50 0 BEAALP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCCC1 ZINC000037482370 176072175 /nfs/dbraw/zinc/07/21/75/176072175.db2.gz NXFBXHRKACHCMC-GFCCVEGCSA-N 2 2 210.365 2.393 50 0 BEAALP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+][C@@H](C)CC[C@@H]1[NH3+] ZINC000757209975 586438309 /nfs/dbraw/zinc/43/83/09/586438309.db2.gz GXBAVSKODBFGCM-WFBYXXMGSA-N 2 2 244.342 2.012 50 0 BEAALP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+][C@H](C)CC[C@H]1[NH3+] ZINC000757209968 586438501 /nfs/dbraw/zinc/43/85/01/586438501.db2.gz GXBAVSKODBFGCM-IUPBHXKESA-N 2 2 244.342 2.012 50 0 BEAALP